@article{hamedi_moradi_tonelli_2023, title={External Stimuli Responsive Nanofibers in Biomedical Engineering}, volume={291}, ISBN={["978-3-031-31405-6", "978-3-031-31402-5"]}, ISSN={["1436-5030"]}, DOI={10.1007/12_2022_121}, journal={ELECTROSPUN POLYMERIC NANOFIBERS}, author={Hamedi, Hamid and Moradi, Sara and Tonelli, Alan E.}, year={2023}, pages={287–311} }
 @misc{hamedi_moradi_hudson_tonelli_king_2022, title={Chitosan based bioadhesives for biomedical applications: A review}, volume={282}, ISSN={["1879-1344"]}, DOI={10.1016/j.carbpol.2022.119100}, abstractNote={Due to the promising properties of chitosan for biomedical engineering applications like biodegradability, biocompatibility, and non-toxicity, it is one of the most interesting biopolymers in this field. Therefore, Chitosan and its derivatives have attracted great attention in vast variety of biomedical applications. In the current paper, different types of chitosan-based bioadhesives including passive and active and their different types of external stimuli response structure such as thermo, pH and Light responsive systems are discussed. Different bioadhesives mechanisms with chitosan as an adhesive agent or main polymer component and some examples were also presented. Chitosan based bioadhesives and their potential biomedical applications in drug delivery systems, suture less surgery, wound dressing and hemostatic are also discussed. The results confirmed wound healing, hemostatic and bioadhesion capabilities of the chitosan bioadhesives and its great potential for biomedical applications.}, journal={CARBOHYDRATE POLYMERS}, author={Hamedi, Hamid and Moradi, Sara and Hudson, Samuel M. and Tonelli, Alan E. and King, Martin W.}, year={2022}, month={Apr} }
 @misc{narayanan_shen_matai_sachdev_boy_tonelli_2022, title={Cyclodextrin-based nanostructures}, volume={124}, ISSN={["1873-2208"]}, url={https://publons.com/publon/50714719/}, DOI={10.1016/j.pmatsci.2021.100869}, abstractNote={Cyclodextrins (CDs) are a unique class of molecules that are naturally available via degradation of starchy molecules. Their toroidal structure and abundant presence of hydroxyl groups have given scientists exceptional leverage resulting in synthesizing novel molecules for applications ranging from food packaging, controlled release of small molecules, antibacterial coating, agriculture, and air and water filtration. With the advent of nanotechnology, CDs have positioned itself in a variety of forms such as their ability to act as capping/reducing agents for metallic nanoparticles, or form stable nanofibers or nanoparticles or nano micelles, which can be subsequently utilized for sophisticated applications. In this review, we summarize researches on the presence of CDs in various aspects of nanotechnology ranging from nanoparticles, nanorods, nanomicelles, to nanofibers. In addition, through this review, we provide state-of-the-art applications that are being carried out using these nanostructures.}, journal={PROGRESS IN MATERIALS SCIENCE}, author={Narayanan, Ganesh and Shen, Jialong and Matai, Ishita and Sachdev, Abhay and Boy, Ramiz and Tonelli, Alan E.}, year={2022}, month={Feb} }
 @misc{moradi_hamedi_tonelli_king_2021, title={Chitosan/Graphene Oxide Composite Films and Their Biomedical and Drug Delivery Applications: A Review}, volume={11}, ISSN={["2076-3417"]}, DOI={10.3390/app11177776}, abstractNote={The healing of wounds is still a challenging clinical problem for which an efficient and fast treatment is needed. Therefore, recent studies have created a new generation of wound dressings that can accelerate the wound healing process with minimal side effects. Chitosan, a natural biopolymer, is an attractive candidate for preparing biocompatible dressings. The biodegradability, non-toxicity, and antibacterial activities of chitosan have made it a promising biopolymer for treating wounds. Graphene oxide has also been considered by researchers as a non-toxic, inexpensive, and biocompatible material for wound healing applications. This review paper discusses the potential use of chitosan/graphene oxide composite films and their application in wound dressing and drug delivery systems.}, number={17}, journal={APPLIED SCIENCES-BASEL}, author={Moradi, Sara and Hamedi, Hamid and Tonelli, Alan E. and King, Martin W.}, year={2021}, month={Sep} }
 @article{moradi_barati_tonelli_hamedi_2021, title={Effect of clinoptilolite on structure and drug release behavior of chitosan/thyme oil gamma-Cyclodextrininclusion compound hydrogels}, volume={138}, ISSN={["1097-4628"]}, DOI={10.1002/app.49822}, abstractNote={Abstract}, number={6}, journal={JOURNAL OF APPLIED POLYMER SCIENCE}, author={Moradi, Sara and Barati, Abolfazl and Tonelli, Alan E. and Hamedi, Hamid}, year={2021}, month={Feb} }
 @article{li_lv_ai_shen_tonelli_2020, title={A New Two-Step Strategy for Encapsulating Amorphous Polymer Chains in Thiourea Crystals}, volume={221}, ISSN={["1521-3935"]}, DOI={10.1002/macp.202000269}, abstractNote={Abstract}, number={20}, journal={MACROMOLECULAR CHEMISTRY AND PHYSICS}, author={Li, Shanshan and Lv, Dongxu and Ai, Ning and Shen, Jialong and Tonelli, Alan E.}, year={2020}, month={Oct} }
 @article{tonelli_edwards_2020, title={Are poly(p-phenylene terephthalamide) (Kevlar (R)) and other liquid crystalline polymers conformationally rigid?}, volume={193}, ISSN={["1873-2291"]}, DOI={10.1016/j.polymer.2020.122342}, abstractNote={In a series of papers beginning in the 1950s, Flory, and later Flory and Ronca, and Yoon, Ronca, Bruckner et al. theoretically derived and described the Statistical Mechanics of rodlike particles and semi-flexible chain molecules. Their work was based on a Lattice-Model whose free-energy was separable into independent terms:a mixing term depending on concentration and an athermal disorientation term depending on the equilibrium flexibility of the chain molecules. They eventually added energetic interactions between the rodlike particles to the disorientation partition function, and also considered aromatic polyesters with mesogenic phenyl rings and attached ester bonds separated by inherently flexible polymethylene segments. To treat the thermotropic aromatic polyesters, Yoon, Ronca, Bruckner et al. added an independent conformational partition function to account for the loss of conformations required for extension of the polymethylene segments to form liquid crystals. Though these treatments achieved various degrees of agreement with experimental observations of liquid crystalline polymers, in all cases the mesogenic backbone segments were assumed to be rigid with extended conformations. Their inherent flexibilities were never considered. Here we demonstrate that the mesogenic backbone segments may in fact not be inherently rigid, but instead conformationally flexible. As an example, we show that Kevlar® [poly-1,4-phenylene (terephthalamide)] remains extended enough and sufficiently anisotropic to be liquid crystalline even though its 1,4-linked backbone phenyl rings are conformationally flexible.}, journal={POLYMER}, author={Tonelli, Alan E. and Edwards, Jack F.}, year={2020}, month={Apr} }
 @article{moradi_barati_tonelli_hamedi_2020, title={Chitosan-based hydrogels loading with thyme oil cyclodextrin inclusion compounds: From preparation to characterization}, volume={122}, ISSN={["1873-1945"]}, DOI={10.1016/j.eurpolymj.2019.109303}, abstractNote={Hydrogels, based on polysaccharides such as chitosan have found various applications as drug delivery carriers. Three different preparations of pH sensitive chitosan/polyvinyl alcohol hydrogels containing inclusion compounds of thyme oil with methyl-β-, hydroxypropyl-β- and γ-cyclodextrin were developed by using a controlled, bio-compatible and low cost method based on freeze-thaw cycling. The structures and morphology of the hydrogels were characterized by FTIR, optical and scanning electron microscopy. Stable hydrogels of chitosan and polyvinyl alcohol had good mechanical properties and swelling ratios. The water vapor transmission rates of the hydrogels were all in the range of an ideal wound dressing. Encapsulation and release of thyme oil-cyclodextrin inclusion compounds (TM-CD-ICs) in the hydrogels were detected and followed by UV spectroscopy and different mathematical models were applied for evaluating the drug release mechanisms. Hydrogels loaded with TM-CD-ICs had slower and more controlled drug release. The antibacterial activity of the samples was studied by counting the number of surviving both gram-negative and gram-positive bacteria in a broth medium and the results showed antibacterial activity of all prepared hydrogels, especially those containing TM-γCD-ICs. The MTT assay indicated more cell viability of TM-γCD-ICs hydrogels in comparison with those containing β-cyclodextrin inclusion compounds (TM-βCD-ICs hydrogels). Cell attachment study showed great biocompatibility of TM-γCD-ICs hydrogels. Finally, the modified hydrogels can be used in different biomedical applications, such as wound dressings for improving the wound healing process and in drug delivery systems.}, journal={EUROPEAN POLYMER JOURNAL}, author={Moradi, Sara and Barati, Aboulfazl and Tonelli, Alan E. and Hamedi, Hamid}, year={2020}, month={Jan} }
 @book{tonelli_shen_2020, title={Conformations}, ISBN={9780203703601}, url={http://dx.doi.org/10.1201/b22496}, DOI={10.1201/b22496}, publisher={CRC Press}, author={Tonelli, Alan and Shen, Jialong}, year={2020}, month={Apr} }
 @article{tonelli_shen_2020, title={Delivery of pharmaceuticals and other active ingredients with their crystalline cyclodextrin inclusion compounds}, volume={589}, ISSN={["1873-3476"]}, DOI={10.1016/j.ijpharm.2020.119856}, abstractNote={In honor of Prof. Thorsteinn Loftsson’s 70th birthday, we offer this personal review of our work using cyclodextrins (CDs) complexed with a variety of active ingredients, including pharmaceuticals, for the purpose of improving their delivery to polymer materials, e.g., fibers, films, hydrogels, etc. Using the affinity of CDs to host and form non-covalent inclusion complexes (ICs) with guest molecules, including a variety of high molecular weight polymers, it is possible to readily deliver these guest molecules into polymer materials via either melt or solution processing of their crystalline or soluble guest molecule-CD-ICs or -rotaxanes. This provides the following advantages: i. CDs are non-toxic, implantable, and biodegradable and have earned the GRAS rating from the FDA. ii. Guest molecules, even those that are neat liquids, can form solid crystalline CD-ICs that are thermally stable to ~ 200 °C and above. This approach permits facile melt-processing into polymer materials for delivery without migration, loss, or degradation of the active guest ingredient. iii. For guests harmful and toxic to their users and the environment, delivery in the form of crystalline CD-ICs can limit any contact with and release of the included toxic guests before they function and are used. iv. It has been demonstrated that, by simple precipitation methods, neat as-received CDs that adopt cage crystal structures can be readily transformed to their columnar crystal structures containing only water in their channels, which can be easily displaced by small molecule, as well as polymer guests. v. Guest-CD-rotaxanes are water soluble, they protect the threaded guest from sources of degradation, and the CD hydroxyl groups may be modified to direct the guest-CD-rotaxane to specific substrates. For these reasons, here we summarize our contributions to the study of CD inclusion and delivery of a variety of guest molecules, including antibacterials, spermicides, insecticides, flame retardants, and dyes, that can more usefully functionalize polymer materials.}, journal={INTERNATIONAL JOURNAL OF PHARMACEUTICS}, author={Tonelli, Alan E. and Shen, Jialong}, year={2020}, month={Nov} }
 @article{tonelli_2020, title={Enhancing the melt crystallization of polymers, especially slow crystallizing polymers like PLLA and PET}, volume={3}, ISSN={["2573-7619"]}, DOI={10.1002/pcr2.10095}, abstractNote={Over 20 years ago we demonstrated that it is possible to control the melt crystallization of polymers via self-nucleation. Non-covalently bonded inclusion compounds (ICs) can be formed with cyclodextrins (CDs) or urea (U) when these small host molecules crystallize around guest polymers and form narrow parallel host channels, where the isolated and stretched guest polymer chains are included. Careful removal of the host crystalline lattice yields a neat coalesced (c) guest polymer sample with less entangled chains that are packed to a higher density than bulk samples of the same polymer obtained from its melt or solutions. Consequently, the reorganized c-polymer samples behave distinctly, with higher glass-transition temperatures for amorphous polymers and enhanced crystallizabilities for semi-crystalline polymers. Remarkably, c-polymer samples retain their distinct reorganized structures and behaviors even after extended periods of melt annealing. When a small amount of the rapidly crystallizable c-polymer is homogeneously dispersed in a large quantity of the same as-received (asr) polymer, and it is melted and then cooled, the c-polymer chains crystallize first and nucleate the crystallization of the asr-polymer chains, so that the entire sample (nuc-polymer) crystallizes at nearly the same temperature as the neat nucleant (c-polymer), including slow melt-crystallizing polymers, such as PET and PLLA.}, number={1}, journal={POLYMER CRYSTALLIZATION}, author={Tonelli, Alan E.}, year={2020}, month={Feb} }
 @book{tonelli_patterson_2020, series={ACS Symposium Series}, title={Modern Applications of Flory’s “Statistical Mechanics of Chain Molecules}, ISBN={9780841298866 9780841298859}, ISSN={0097-6156 1947-5918}, url={http://dx.doi.org/10.1021/bk-2020-1356}, DOI={10.1021/bk-2020-1356}, abstractNote={Once a coherent picture of polyatomic molecules was formulated by van’t Hoff, molecular physicists like Mizushima established that there were observable internal rotational isomeric states. The calculation of conformation dependent properties was made possible by proposing the rotational isomeric state paradigm and developing computational methods suitable for a digital computer. Early efforts by Volkenstein and his colleagues in Leningrad (Saint Petersburg) were brought to a fully usable state by Flory and his collaborators at Stanford University. This achievement is presented in the monograph Statistical Mechanics of Chain Molecules (1969).}, publisher={American Chemical Society}, year={2020}, month={Jan}, collection={ACS Symposium Series} }
 @misc{tonelli_2019, title={Nanoscale Restructuring of Polymer Materials to Produce Single Polymer Composites and Miscible Blends}, volume={9}, ISSN={["2218-273X"]}, DOI={10.3390/biom9060240}, abstractNote={I summarize work conducted in our laboratories over the past 30 years using small host molecules to restructure polymer materials at the nanometer level. Certain small molecules, such as the cyclic starches cyclodextrins (CDs) and urea (U) can form non-covalent crystalline inclusion compounds (ICs) with a range of guest molecules, including many polymers. In polymer-CD- and -U-ICs, guest polymer chains reside in narrow channels created by the host molecule crystals, where they are separated and highly extended. When the host crystalline lattice is carefully removed, the guest polymer chains coalesce into a bulk sample with an organization that is distinct from that normally produced from its melt or from solution. Amorphous regions of such coalesced polymer samples have a greater density, likely with less chain entanglement and more chain alignment. As a consequence, after cooling from their melts, coalesced amorphous polymers show glass-transition temperatures (Tgs) that are elevated above those of samples prepared from their solutions or melts. Upon cooling from their melts, coalesced samples of crystallizable polymers show dramatically-increased abilities to crystallize more rapidly and much closer to their melting temperatures (Tms). These unique behaviors of polymers coalesced from their CD- and U-ICs are unexpectedly resistant to extended annealing above their Tgs and Tms. Taking advantage of this behavior permits us to create polymer materials with unique and improved properties. Among these are amorphous polymers with elevated Tgs and semi-crystalline polymers with finer more uniform morphologies. Improved mechanical properties can be achieved through self-nucleation with small amounts of the same polymer made rapidly crystallizable through coalescence from its CD- or U-IC. This can lead to single polymer composites with as-received polymer matrices and self-nucleated reinforcements. Through simultaneous formation and subsequent coalescence from their common CD–ICs, stable well-mixed blends can be achieved between any two or more polymers, despite their inherent immiscibilities. Such coalesced and well-mixed blends are also resistant to phase segregation when heated for extensive periods well above their Tgs and Tms.}, number={6}, journal={BIOMOLECULES}, author={Tonelli, Alan E.}, year={2019}, month={Jun} }
 @misc{tonelli_2019, title={Polymers Containing Non-Covalently Bound Cyclodextrins}, volume={11}, ISSN={["2073-4360"]}, DOI={10.3390/polym11030425}, abstractNote={We summarize and review the formation, characterization, behaviors, and possible uses of polymers that are threaded through, but only partially covered by cyclodextrins (CDs), which we call non-stoichiometric polymer–CD inclusion compounds (ICs) or non-stoichiometric (n-s) polymer–CD ICs. Emphasis is placed on comparison of the behaviors of unthreaded neat polymers with those that are threaded through and partially covered by CDs. These comparisons lead to several suggested uses for (n-s) polymer–CD ICs.}, number={3}, journal={POLYMERS}, author={Tonelli, Alan E.}, year={2019}, month={Mar} }
 @article{hamedi_moradi_tonelli_hudson_2019, title={Preparation and Characterization of Chitosan-Alginate Polyelectrolyte Complexes Loaded with Antibacterial Thyme Oil Nanoemulsions}, volume={9}, ISSN={["2076-3417"]}, DOI={10.3390/app9183933}, abstractNote={Biomedical industries are attempting to utilize natural materials, as they are bio-compatible, non-toxic, and show bioactive properties, like antimicrobial activity. In this study, natural polyelectrolyte complexed chitosan/alginate films (PECs) were prepared via a casting/solvent evaporation technique, and their characteristics and drug release properties were investigated. PEC films made with two different overall polymer contents, 0.4 and 1 w/v%, were loaded with thyme oil nanoemulsion as drug carrier. The structure of the films was studied by FTIR and optical and scanning electron microscopy. Prepared PEC films had good mechanical and water vapor permeability properties. Release of the thyme oil from the pH-sensitive PEC films (TM-PEC) was detected and followed by UV spectroscopy. The results indicated that the drug release rate of TM-PEC films was the fastest when the chitosan content was 1 %w/v, and various mathematical models were analyzed for investigating the drug release mechanism. Antibacterial tests were performed by counting the number of surviving gram-negative and gram-positive bacteria. The in vitro test indicated the limitation Escherichia coli (E. coli) and Staphylococcus aureus (S.aureus) growth in the presence of TM-PEC films. The MTT test showed more cell viability of the TM-PEC film in comparison with that of the PEC film without TM. Based on the measured physical and antibacterial properties, the chitosan–alginate PEC films loaded with antibacterial essential oils can be considered for biomedical applications, such as wound dressings or controlled release systems.}, number={18}, journal={APPLIED SCIENCES-BASEL}, author={Hamedi, Hamid and Moradi, Sara and Tonelli, Alan E. and Hudson, Samuel M.}, year={2019}, month={Sep} }
 @article{moradi_barati_salehi_tonelli_hamedi_2019, title={Preparation and characterization of chitosan based hydrogels containing cyclodextrin inclusion compounds or nanoemulsions of thyme oil}, volume={68}, ISSN={["1097-0126"]}, DOI={10.1002/pi.5899}, abstractNote={Abstract}, number={11}, journal={POLYMER INTERNATIONAL}, author={Moradi, Sara and Barati, Abolfazl and Salehi, Ehsan and Tonelli, Alan E. and Hamedi, Hamid}, year={2019}, month={Nov}, pages={1891–1902} }
 @misc{narayanan_shen_boy_gupta_tonelli_2018, title={Aliphatic Polyester Nanofibers Functionalized with Cyclodextrins and Cyclodextrin-Guest Inclusion Complexes}, volume={10}, ISSN={["2073-4360"]}, url={https://doi.org/10.3390/polym10040428}, DOI={10.3390/polym10040428}, abstractNote={The fabrication of nanofibers by electrospinning has gained popularity in the past two decades; however, only in this decade, have polymeric nanofibers been functionalized using cyclodextrins (CDs) or their inclusion complexes (ICs). By combining electrospinning of polymers with free CDs, nanofibers can be fabricated that are capable of capturing small molecules, such as wound odors or environmental toxins in water and air. Likewise, combining polymers with cyclodextrin-inclusion complexes (CD-ICs), has shown promise in enhancing or controlling the delivery of small molecule guests, by minor tweaking in the technique utilized in fabricating these nanofibers, for example, by forming core–shell or multilayered structures and conventional electrospinning, for controlled and rapid delivery, respectively. In addition to small molecule delivery, the thermomechanical properties of the polymers can be significantly improved, as our group has shown recently, by adding non-stoichiometric inclusion complexes to the polymeric nanofibers. We recently reported and thoroughly characterized the fabrication of polypseudorotaxane (PpR) nanofibers without a polymeric carrier. These PpR nanofibers show unusual rheological and thermomechanical properties, even when the coverage of those polymer chains is relatively sparse (~3%). A key advantage of these PpR nanofibers is the presence of relatively stable hydroxyl groups on the outer surface of the nanofibers, which can subsequently be taken advantage of for bioconjugation, making them suitable for biomedical applications. Although the number of studies in this area is limited, initial results suggest significant potential for bone tissue engineering, and with additional bioconjugation in other areas of tissue engineering. In addition, the behaviors and uses of aliphatic polyester nanofibers functionalized with CDs and CD-ICs are briefly described and summarized. Based on these observations, we attempt to draw conclusions for each of these combinations, and the relationships that exist between their presence and the functional behaviors of their nanofibers.}, number={4}, journal={POLYMERS}, author={Narayanan, Ganesh and Shen, Jialong and Boy, Ramiz and Gupta, Bhupender S. and Tonelli, Alan E.}, year={2018}, month={Apr} }
 @article{hamedi_moradi_hudson_tonelli_2018, title={Chitosan based hydrogels and their applications for drug delivery in wound dressings: A review}, volume={199}, ISSN={0144-8617}, url={http://dx.doi.org/10.1016/J.CARBPOL.2018.06.114}, DOI={10.1016/J.CARBPOL.2018.06.114}, abstractNote={Advanced development of chitosan hydrogels has led to new drug delivery systems that can release their active ingredients in response to environmental stimuli. This review considers more recent investigation of chitosan hydrogel preparations and the application of these preparations for drug delivery in wound dressings. Applications and structural characteristics of different types of active ingredients, such as growth factors, nanoparticles, nanostructures, and drug loaded chitosan hydrogels are summarized.}, journal={Carbohydrate Polymers}, publisher={Elsevier BV}, author={Hamedi, Hamid and Moradi, Sara and Hudson, Samuel M. and Tonelli, Alan E.}, year={2018}, month={Nov}, pages={445–460} }
 @article{tonelli_narayanan_gurarslan_2018, title={Host-Guest Polymer Complexes}, volume={10}, ISSN={["2073-4360"]}, DOI={10.3390/polym10080911}, abstractNote={n/a}, number={8}, journal={POLYMERS}, author={Tonelli, Alan E. and Narayanan, Ganesh and Gurarslan, Alper}, year={2018}, month={Aug} }
 @article{li_shen_tonelli_2018, title={Self-assembled complexation of urea with poly (methyl methacrylate): A potential method for small molecule encapsulation in PMMA}, volume={156}, ISSN={["1873-2291"]}, DOI={10.1016/j.polymer.2018.09.055}, abstractNote={In this research we report a complex material formed between poly (methyl methacrylate) (PMMA) and urea. The disassociation temperatures of the PMMA/U complexes are higher than the glass transition temperature of neat PMMA and lower than the melting temperature of neat urea. As we reported previously, the as received-PMMA (asr-PMMA) contained a small amount of residual alkane-like surfactant. When forming the PMMA/U complexes with saturated urea-methanol solution, the originally contained contaminant can be encapsulated by urea in the form of a crystalline inclusion compound (IC) and dispersed within the PMMA/U complex. Since urea has been reported to form ICs with various small molecules, this phenomenon provides a potential way for small molecule encapsulation by using PMMA as the substrate and urea as the encapsulant.}, journal={POLYMER}, author={Li, Shanshan and Shen, Jialong and Tonelli, Alan E.}, year={2018}, month={Nov}, pages={95–101} }
 @article{shen_li_caydamli_narayanan_zhang_harrison_tse_tonelli_2018, title={The Role of Polymer Crystallizability on the Formation of Polymer-Urea-Inclusion Compounds}, volume={18}, ISSN={1528-7483 1528-7505}, url={http://dx.doi.org/10.1021/ACS.CGD.8B00240}, DOI={10.1021/ACS.CGD.8B00240}, abstractNote={Polymer-urea inclusion compounds (P-U-ICs) were formed using a series of linear aliphatic polyesters with varying crystallizabilities: from highly crystalline to wholly amorphous. The traditional hexagonal P-U-ICs were obtained irrespective of the crystallinities of the neat guest polyesters. Two distinct co-crystallization mechanisms were evident based on the observation of the change in thermal stabilities of the ICs using DSC and the crystal morphologies by SEM; one involves polymer chain folding back and forth in a lamella-like crystal structure and the other grows much like short chain molecule U-ICs absent of chain reentering different channels. For polymers with sufficient chain length, their inherent flexibility is the key factor determining the co-crystallization mechanism while their crystallizability affects the kinetics, the consequences of which are more pronounced during recrystallization from melt. The amorphicity induced by random ester group placement is an interchain property, which does...}, number={5}, journal={Crystal Growth & Design}, publisher={American Chemical Society (ACS)}, author={Shen, Jialong and Li, Shanshan and Caydamli, Yavuz and Narayanan, Ganesh and Zhang, Nanshan and Harrison, Owen and Tse, Shiaoching and Tonelli, Alan E.}, year={2018}, month={Mar}, pages={3099–3106} }
 @article{li_shen_tonelli_2018, title={The influence of a contaminant in commercial PMMA: A purification method for its removal and its consequences}, volume={135}, ISSN={["1873-2291"]}, DOI={10.1016/j.polymer.2017.12.033}, abstractNote={An alkane-like contaminant was isolated from as-received commercial PMMA by forming a conventional urea inclusion compound during the preparation of a PMMA-urea complex. The contaminant, likely a surfactant used in the emulsion polymerization of PMMA, acts as a plasticizer in the commercial PMMA sample. After removing the contaminant, the resultant coalesced-PMMA showed an approximately 30 °C higher glass transition temperature than the as-received PMMA. Forming the PMMA-urea complex and then removing urea and the contaminant together with methanol can purify commercial PMMA and “unmask” its true Tg. Considering the large amount of research performed on PMMA blends, thin films, and nanocomposites, often with inconsistent or conflicting results, we believe the purity of some PMMAs used in past and future studies needs to be examined. Because commercial polystyrene is also obtained by emulsion polymerization and its blends, thin films, and nanocomposites have also been extensively studied, a similar contaminant may be affecting its behavior.}, journal={POLYMER}, author={Li, Shanshan and Shen, Jialong and Tonelli, Alan E.}, year={2018}, month={Jan}, pages={355–361} }
 @article{narayanan_caydamli_tekinalp_matai_boy_chung_shen_gupta_tonelli_2018, title={Thermal, mechanical, and topographical evaluation of nonstoichiometric alpha-cyclodextrin/poly(epsilon-caprolactone) pseudorotaxane nucleated poly(epsilon-caprolactone) composite films}, volume={56}, ISSN={["1099-0488"]}, DOI={10.1002/polb.24741}, abstractNote={ABSTRACT}, number={22}, journal={JOURNAL OF POLYMER SCIENCE PART B-POLYMER PHYSICS}, publisher={Wiley}, author={Narayanan, Ganesh and Caydamli, Yavuz and Tekinalp, Halil and Matai, Ishita and Boy, Ramiz and Chung, Ching-Chang and Shen, Jialong and Gupta, Bhupender S. and Tonelli, Alan E.}, year={2018}, month={Nov}, pages={1529–1537} }
 @article{narayanan_boy_gupta_tonelli_2017, title={Analytical techniques for characterizing cyclodextrins and their inclusion complexes with large and small molecular weight guest molecules}, volume={62}, ISSN={["1873-2348"]}, url={https://doi.org/10.1016/j.polymertesting.2017.07.023}, DOI={10.1016/j.polymertesting.2017.07.023}, abstractNote={Cyclodextrins are oligosaccharides that have truncated cone like structures, making them capable of forming non-covalent bonds with a large variety of molecules (especially hydrophobic molecules). Additionally, as the outer rims of their truncated cones are lined with several hydroxyl groups, secondary interactions with and functionalization of these hydroxyl groups are also possible. Current techniques available to analyze and characterize these interactions, although somewhat limited, can be accomplished by judicious selection of analytical tools. However, for emerging applications, the currently utilized techniques summarized in this review may not be sufficient. The purpose of this review is to provide an overview, including their possible limitations, of current techniques commonly employed to investigate such interactions. In view of CD-based materials for emerging applications, wherever possible, analytical tools used for these studies are also discussed.}, journal={POLYMER TESTING}, publisher={Elsevier BV}, author={Narayanan, Ganesh and Boy, Ramiz and Gupta, Bhupender S. and Tonelli, Alan E.}, year={2017}, month={Sep}, pages={402–439} }
 @article{li_shen_nichol_tonelli_2017, title={Attempted Determination of the Structures of Complex Aliphatic Copolyesters}, volume={218}, ISSN={1022-1352}, url={http://dx.doi.org/10.1002/MACP.201700258}, DOI={10.1002/MACP.201700258}, abstractNote={Abstract}, number={22}, journal={Macromolecular Chemistry and Physics}, publisher={Wiley}, author={Li, Shanshan and Shen, Jialong and Nichol, Jessica L. and Tonelli, Alan E.}, year={2017}, month={Sep}, pages={1700258} }
 @article{shen_tonelli_2017, title={Demonstrating Unique Behaviors of Polymers}, volume={94}, ISSN={["1938-1328"]}, DOI={10.1021/acs.jchemed.7b00008}, abstractNote={Behaviors characteristic of and unique to polymers are demonstrated through four simple experiments: (i) comparison of the dilute solution viscosities of a small molecule and a high-molecular-weight polymer, (ii) observation of the properties of a “slime”, (iii) the stretching of a rubber band, and (iv) a simple paper-and-pencil simulation experiment for the step-growth polymerization of X–Y (or A–B) types of monomers. The described demos have been performed for audiences ranging from middle school to university graduate students to successfully introduce and explain why polymers and materials made from them behave uniquely.}, number={11}, journal={JOURNAL OF CHEMICAL EDUCATION}, author={Shen, Jialong and Tonelli, Alan E.}, year={2017}, month={Nov}, pages={1738–1745} }
 @misc{gurarslan_tonelli_2017, title={Do we need to know and can we determine the complete macrostructures of synthetic polymers?}, volume={65}, ISSN={["1873-1619"]}, DOI={10.1016/j.progpolymsci.2016.09.001}, abstractNote={The complete molecular architectures of synthetic polymers, which may be called their macrostructures, consist of the types and amounts of short-range microstructural elements they contain, such as comonomer, regio- and stereosequences, branches, cross-links etc., as well as their locations along the polymer backbone. While spectroscopic probes that are only sensitive to local polymer structures, like NMR, can identify and quantify short-range microstructural elements, they are unable to locate their positions along the polymer backbone. Consequently, the present situation regarding our ability to characterize the complete chemical structures of synthetic polymers would be analogous to that of proteins if it were only possible to determine their amino acid compositions or possibly the amounts of consecutive pairs or even triplets of constituent amino acids, rather than their complete macrostructures, i.e., their complete amino acid sequences or primary structures. While the genetic DNA code may be read to determine the primary structures of most proteins, we have no such synthetic template for man-made polymers which can be utilized to determine their complete macrostructural architectures. Just as the primary sequences of proteins determine their secondary, tertiary, and even quaternary structures, and of course their resultant biological functions, it can logically be presumed that the behaviors of synthetic polymers are also principally the result of their complete structural architectures. Though important, the types and quantities of short-range microstructures polymers contain and which constitutes our present level of structural knowledge, is insufficient for the development of truly relevant structure-property relations. In addition, the degree of macrostructural heterogeneity among the chains in polymer samples is also expected to strongly influence the behaviors of materials made from them, and so this related issue also needs to be addressed. Here we summarize our recent attempts to develop and demonstrate an experimental approach that can be used to begin to characterize the complete macrostructures of synthetic polymers and to illustrate the relevance of this knowledge to understanding their properties and behaviors.}, journal={PROGRESS IN POLYMER SCIENCE}, author={Gurarslan, Rana and Tonelli, Alan E.}, year={2017}, month={Feb}, pages={42–52} }
 @article{caydamli_yildirim_shen_fang_pasquinelli_spontak_tonelli_2017, title={Nanoscale considerations responsible for diverse macroscopic phase behavior in monosubstituted isobutyl-POSS/poly(ethylene oxide) blends}, volume={13}, ISSN={["1744-6848"]}, url={https://doi.org/10.1039/C7SM01788J}, DOI={10.1039/c7sm01788j}, abstractNote={Nanocomposites prepared by incorporating polyhedral oligomeric silsesquioxane (POSS) into polymer matrices afford versatile hybrid materials but are exquisitely sensitive to even POSS monofunctionalization.}, number={46}, journal={SOFT MATTER}, publisher={Royal Society of Chemistry (RSC)}, author={Caydamli, Yavuz and Yildirim, Erol and Shen, Jialong and Fang, Xiaomeng and Pasquinelli, Melissa A. and Spontak, Richard J. and Tonelli, Alan E.}, year={2017}, month={Dec}, pages={8672–8677} }
 @misc{gurarslan_joijode_shen_narayanan_antony_li_caydamli_tonelli_2017, title={Reorganizing polymer chains with cyclodextrins}, volume={9}, number={12}, journal={Polymers}, author={Gurarslan, A. and Joijode, A. and Shen, J. L. and Narayanan, G. and Antony, G. J. and Li, S. S. and Caydamli, Y. and Tonelli, A. E.}, year={2017} }
 @article{shen_caydamli_gurarslan_li_tonelli_2017, title={The glass transition temperatures of amorphous linear aliphatic polyesters}, volume={124}, ISSN={["1873-2291"]}, DOI={10.1016/j.polymer.2017.07.054}, abstractNote={A series of wholly amorphous linear aliphatic co- and tetra-polyesters were synthesized via bulk melt step-growth polymerization. Their glass transition temperatures were determined using DSC and were essentially unaffected by crystallinity. The glass transition temperatures of the polyesters increase linearly with the ratio of ester groups per methylene group. Extrapolations of the ratio to zero ester group content gave a reliable value for the Tg of amorphous polyethylene (PE). The experimental Tgs manifest a steeper slope on the Tg vs. ester group content plot compared to those calculated using Van Krevelen's group contribution method. The intramolecular equilibrium flexibilities were evaluated through the calculation of conformational entropies of individual polymer chains approximated by considering solely the short-range interactions between neighboring groups, as embodied in their RIS conformational models. Their calculated conformational entropies, Sconf, decrease linearly with increasing ester group content, leading to the observation that Sconf ∝1/Tg.}, journal={POLYMER}, author={Shen, Jialong and Caydamli, Yavuz and Gurarslan, Alper and Li, Shanshan and Tonelli, Alan E.}, year={2017}, month={Aug}, pages={235–245} }
 @article{gurarslan_tonelli_2016, title={An unexpected stereochemical bias in the RAFT syntheses of styrene/p-bromostyrene copolymers uncovered by the Kerr effect}, volume={89}, ISSN={["1873-2291"]}, DOI={10.1016/j.polymer.2016.02.032}, abstractNote={During our recent investigations of the viability of using the observed contributions synthetic polymers make to the birefringence of their dilute solutions when subjected to strong electric fields, i.e., their Kerr effects, to characterize the complete architectures or macrostructures of their chains, we discovered a surprising result. The Kerr constants measured for styrene/p-bromostyrene (S/pBrS) copolymers synthesized by controlled RAFT copolymerization could only be reproduced by their predicted calculated values when we assumed that pBrS─pBrS diads were enchained with a strong preference for the racemic (r) stereosequence, while at the same time S─S diads show no such stereochemical preference. Gradient and random S/pBrS copolymers made by RAFT showed similar Kerr constants, while those made by FRP and ATRP had Kerr effects different by a factor of two or more and were similar to those shown by samples with resultant blocky and random comonomer sequences made previously by BR of a-PS in poor and good solvents, respectively. By comparison to the Kerr effects observed for S/pBrS copolymers with similar compositions and comonomer sequences, but obtained by bromination (BR) of atactic polystyrene (a-PS) or uncontrolled free-radical (FRP) and controlled ATRP syntheses, which are well known to produce random atactic vinyl homo- and copolymers, we were able to confirm the stereochemical bias introduced during our controlled RAFT copolymerizations first suggested by our Kerr effect observations. Our Kerr effect observations and the conclusions drawn from them received further confirmation from the dewetting behaviors of their thin films observed from silicon wafers when they were heated well above their Tgs. For example, thin atactic S/pBrS films made by uncontrolled FRP and controlled ATRP free-radical polymerizations with random commoner sequences dewetted rapidly from silicon wafers when heated, while thin films made from atactic S/pBrS with random comonomer sequences, but obtained by controlled RAFT syntheses were “stickier”, and only dewet from silicon wafers after much longer annealing times. We suggest this increased “stickiness” of the RAFT synthesized S/pBrS copolymers is attributable to pBrS─pBrS diads with predominantly racemic structures that adopt preferred trans─trans conformations. In trans─trans racemic pBrS─pBrS diads, neighboring side chains are placed on opposite sides of the copolymer backbone in position for their p-Brs to strongly interact with the silicon wafer surfaces.}, journal={POLYMER}, author={Gurarslan, Rana and Tonelli, Alan E.}, year={2016}, month={Apr}, pages={50–54} }
 @article{narayanan_chung_aguda_boy_hartman_mehraban_gupta_tonelli_2016, title={Correlation of the stoichiometries of poly-(epsilon-caprolactone) and alpha-cyclodextrin pseudorotaxanes with their solution rheology and the molecular orientation, crystallite size, and thermomechanical properties of their nanofibers}, volume={6}, ISSN={["2046-2069"]}, DOI={10.1039/c6ra23536k}, abstractNote={Pseudorotaxane nanofibers based on biomedical polymers, such as poly(ε-caprolactone) (PCL), and α-cyclodextrins (α-CD) open new horizons for a variety of biomedical applications.}, number={112}, journal={RSC ADVANCES}, publisher={Royal Society of Chemistry (RSC)}, author={Narayanan, Ganesh and Chung, Ching-Chang and Aguda, Remil and Boy, Ramiz and Hartman, Matthew and Mehraban, Nahid and Gupta, Bhupender S. and Tonelli, Alan E.}, year={2016}, pages={111326–111336} }
 @article{narayanan_aguda_hartman_chung_boy_gupta_tonelli_2016, title={Fabrication and Characterization of Poly(epsilon-caprolactone)/alpha-Cyclodextrin Pseudorotaxane Nanofibers}, volume={17}, ISSN={["1526-4602"]}, DOI={10.1021/acs.biomac.5b01379}, abstractNote={Multifunctional scaffolds comprising neat poly(ε-caprolactone) (PCL) and α-cyclodextrin pseudorotaxanated in α-cyclodextrin form have been fabricated using a conventional electrospinning process. Thorough in-depth characterizations were performed on the pseudorotaxane nanofibers prepared from chloroform (CFM) and CFM/dimethylformamide (DMF) utilizing scanning electron microscopy (SEM), transmission electron microscopy (TEM), rheology, differential scanning calorimetry (DSC), thermogravimetric analyses (TGA), wide-angle X-ray diffraction (WAXD), and Instron tensile testing. The results indicate the nanofibers obtained from chloroform retain the rotaxanated structure; while those obtained from CFM/DMF had significantly dethreaded during electrospinning. As a consequence, the nanowebs obtained from CFM showed higher moduli and lower elongations at break compared to neat PCL nanowebs and PCL/α-CD nanowebs electrospun from CFM/DMF.}, number={1}, journal={BIOMACROMOLECULES}, publisher={American Chemical Society (ACS)}, author={Narayanan, Ganesh and Aguda, Remil and Hartman, Matthew and Chung, Ching-Chang and Boy, Ramiz and Gupta, Bhupender S. and Tonelli, Alan E.}, year={2016}, month={Jan}, pages={271–279} }
 @article{zhu_yildirim_aly_shen_chen_lu_jiang_kim_tonelli_pasquinelli_et al._2016, title={Hierarchical multi-component nanofiber separators for lithium polysulfide capture in lithium-sulfur batteries: an experimental and molecular modeling study}, volume={4}, ISSN={["2050-7496"]}, url={http://www.scopus.com/inward/record.url?eid=2-s2.0-84984804707&partnerID=MN8TOARS}, DOI={10.1039/c6ta04577d}, abstractNote={A multi-functional nanofiber membrane significantly improves the overall performance of Li–S batteries.}, number={35}, journal={JOURNAL OF MATERIALS CHEMISTRY A}, publisher={Royal Society of Chemistry (RSC)}, author={Zhu, Jiadeng and Yildirim, Erol and Aly, Karim and Shen, Jialong and Chen, Chen and Lu, Yao and Jiang, Mengjin and Kim, David and Tonelli, Alan E. and Pasquinelli, Melissa A. and et al.}, year={2016}, pages={13572–13581} }
 @article{gurarslan_hardrict_roy_galvin_hill_gracz_sumerlin_genzer_tonelli_2015, title={Beyond Microstructures: Using the Kerr Effect to Characterize the Macrostructures of Synthetic Polymers}, volume={53}, ISSN={["1099-0488"]}, DOI={10.1002/polb.23598}, abstractNote={ABSTRACT}, number={3}, journal={JOURNAL OF POLYMER SCIENCE PART B-POLYMER PHYSICS}, author={Gurarslan, Rana and Hardrict, Shauntrece and Roy, Debashish and Galvin, Casey and Hill, Megan R. and Gracz, Hanna and Sumerlin, Brent S. and Genzer, Jan and Tonelli, Alan}, year={2015}, month={Feb}, pages={155–166} }
 @article{gurarslan_gurarslan_tonelli_2015, title={Characterizing Polymers with Heterogeneous Micro- and Macrostructures}, volume={53}, ISSN={["1099-0488"]}, DOI={10.1002/polb.23645}, abstractNote={The potentially extreme heterogeneity of polymer micro- and macrostructures has been demonstrated and a means for characterizing them has been suggested. To ensure that all possible microstructures, such as diad stereosequences in vinyl homopolymers and monomer sequences in copolymers, including their locations along polymer chains, that is, all macrostructures, are represented, it became necessary to generate samples with huge quantities (many many tons) of constituent polymer chains. This suggested a practical need for distinguishing between polymer samples with chains that have homogeneous and heterogeneous populations of micro- and macrostructures. A combination of high resolution 13C-nuclear magnetic resonance to determine the types and amounts of constituent short-range microstructures, and dilute solution electrical birefringence or Kerr effect measurements to locate them along the polymer chains has been suggested, and may be able to achieve this distinction. This combination of techniques is required to reduce the innumerably large numbers of different possible polymer macrostructres whose Kerr constants would have to be calculated, for comparison to the observed values. The ability to determine polymer macrostructures is critical to the development of relevant, more meaningful, and therefore, improved structure–property relations for polymer materials. © 2014 Wiley Periodicals, Inc. J. Polym. Sci., Part B: Polym. Phys. 2015, 53, 409–414}, number={6}, journal={JOURNAL OF POLYMER SCIENCE PART B-POLYMER PHYSICS}, author={Gurarslan, Rana and Gurarslan, Alper and Tonelli, Alan E.}, year={2015}, month={Mar}, pages={409–414} }
 @article{gurarslan_caydamli_shen_tse_yetukuri_tonelli_2015, title={Coalesced Poly(epsilon-caprolactone) Fibers Are Stronger}, volume={16}, ISSN={["1526-4602"]}, DOI={10.1021/bm501799y}, abstractNote={Melt-spun fibers were made from poly(ε-caprolactone) (PCL) coalesced from stoichiometric inclusion complex crystals formed with host urea. Melting and crystallization behaviors, mechanical properties, and the birefringence of undrawn and cold-drawn fibers were investigated. Undrawn coalesced PCL fibers were observed to have 500-600% higher moduli than undrawn as-received (asr) PCL fibers and a modulus comparable to drawn asr PCL fibers. Drawn coalesced PCL fibers have the highest crystallinity, orientation, and 65% higher moduli than drawn asr PCL fibers. Drawn coalesced PCL fibers have only a 5% higher crystallinity than drawn asr PCL fibers, yet they have 65% higher moduli and lower elongation at break values. Clearly, the intrinsic alignment of the coalesced polymers is the reason for their higher moduli and lower elongation, as confirmed by the birefringence observed in drawn coalesced and asr-PCL fibers. The improved mechanical properties of coalesced PCL fibers make them a better candidate for use in tissue engineering as scaffolds.}, number={3}, journal={BIOMACROMOLECULES}, author={Gurarslan, Alper and Caydamli, Yavuz and Shen, Jialong and Tse, Shiaomeng and Yetukuri, Mahijeeth and Tonelli, Alan E.}, year={2015}, month={Mar}, pages={890–893} }
 @article{yang_caydamli_fang_tonelli_2015, title={Crystallization Behaviors of Modified Poly(ethylene terephthalate) and Their Self-nucleation Ability}, volume={300}, ISSN={["1439-2054"]}, DOI={10.1002/mame.201400348}, abstractNote={A poly(ethylene terephthalate) (PET)/allylisobutyl polyhedral oligomeric silsesquioxanes (a‐POSS) nanocomposite is prepared by a solvent‐casting method and as‐received PET (asr‐PET) is modified by a precipitation method to yield precipitated PET (p‐PET). Their crystallization behaviors have been studied, and both modification methods improved the crystallization temperatures and crystallinities of PET. They were subsequently used to further nucleate asr‐PET at 1 and 5 wt% levels to form self‐nucleated PETs, with higher crystallization temperatures and higher crystallinities. Thermogravimetric analyses (TGA) show their thermal stabilities have been improved, and both self‐nucleated PETs have superior mechanical properties.}, number={4}, journal={MACROMOLECULAR MATERIALS AND ENGINEERING}, author={Yang, Hui and Caydamli, Yavuz and Fang, Xiaomeng and Tonelli, Alan E.}, year={2015}, month={Apr}, pages={403–413} }
 @article{narayanan_ormond_gupta_tonelli_2015, title={Efficient wound odor removal by -cyclodextrin functionalized poly (epsilon-caprolactone) nanofibers}, volume={132}, ISSN={["1097-4628"]}, url={http://www.scopus.com/inward/record.url?eid=2-s2.0-84940895893&partnerID=MN8TOARS}, DOI={10.1002/app.42782}, abstractNote={ABSTRACT}, number={45}, journal={JOURNAL OF APPLIED POLYMER SCIENCE}, author={Narayanan, Ganesh and Ormond, Bryan R. and Gupta, Bhupender S. and Tonelli, Alan E.}, year={2015}, month={Dec} }
 @article{narayanan_gupta_tonelli_2015, title={Enhanced mechanical properties of poly (epsilon-caprolactone) nanofibers produced by the addition of non-stoichiometric inclusion complexes of poly (epsilon-caprolactone) and alpha-cyclodextrin}, volume={76}, DOI={10.1016/j.polymer.2015.08.045}, abstractNote={A unique nanofibrous structure consisting of poly (ε-caprolactone) (PCL) and non-stoichiometric α-cyclodextrin-poly (ε-caprolactone) inclusion complexes [(n-s)-PCL-α-CD-ICs] was produced by electrospinning. For electrospinning experiments, stoichiometric ratios of the (n-s)-PCL-α-CD-ICs, their percentage loading, and the concentration of the PCL solutions were varied. With their partially un-included guest PCL chain portions, the effects of the (n-s)-PCL-α-CD-ICs on the thermal behavior and mechanical properties of the PCL nanofibers have been investigated. SEM indicated that at lower PCL concentrations (12%), loading of up to 15% (n-s)-PCL-α-CD-ICs resulted in bead-free fibers. However, at 14% PCL concentration, bead-free fibers were obtained only until 10% loading; beyond this loading, some beads were observed. DSC analyses indicated, compared to neat PCL nanowebs, there were significant increases in the melting and the crystallization temperatures of the PCL/(n-s)-PCL-α-CD-IC nanowebs. Absence of water loss and enhanced thermal stability of α-CDs was observed by TGA analyses, which indicated the presence of α-CDs threaded by PCL chains. Mechanical properties of the composite webs indicated, with the addition of the ICs, the tensile modulus and ultimate tensile strength of the composite fibers increased significantly (200–400% for the modulus) over those of neat PCL or uncomplexed PCL/α-CD nanofibers. At the same time, their extensions at break were reduced by factors of ∼ (2–3). With better mechanical and stiffness properties, these novel nanocomposite fibers, which are non-toxic, but biodegradable and biocompatible, would be potential candidates as scaffolds for various applications.}, journal={Polymer}, author={Narayanan, G. and Gupta, B. S. and Tonelli, A. E.}, year={2015}, pages={321–330} }
 @article{caydamli_ding_joijode_li_shen_zhu_tonelli_2015, title={Estimating Monomer Sequence Distributions in Tetrapolyacrylates}, volume={48}, ISSN={["1520-5835"]}, DOI={10.1021/ma5019268}, abstractNote={Recently Ting et al. [ACS Macro Lett. 2013, 2, 770−774] described the syntheses of acrylic tetrapolymers with controlled molecular weights and tetramonomer compositions. Relative reactivity ratios of all monomer pairs were determined and used in the Walling–Briggs terminal copolymerization model along with Skeist’s equations to address the expected compositional drift in the monomer feed ratios. The anticipated control of monomer incorporation based on this approach was verified experimentally on several tetrapolyacrylates synthesized by RAFT polymerization, which additionally controlled their molecular weights. Their “new and simple paradigm combining both predictive models provides complementary synthetic and predictive tools for designing macromolecular chemical architectures with hierarchical control over spatially dependent structure–property relationships for complex applications” is extended here to the derivation of expected monad compositions, and diad, triad, and tetrad monomer sequence distribu...}, number={1}, journal={MACROMOLECULES}, author={Caydamli, Yavuz and Ding, Yi and Joijode, Abhay and Li, Shanshan and Shen, Jialong and Zhu, Jiadeng and Tonelli, Alan E.}, year={2015}, month={Jan}, pages={58–63} }
 @article{narayanan_gupta_tonelli_2015, title={Estimation of the poly (ε-caprolactone) [PCL] and α-cyclodextrin [α-CD] stoichiometric ratios in their inclusion complexes [ICs], and evaluation of porosity and fiber alignment in PCL nanofibers containing these ICs}, volume={5}, ISSN={2352-3409}, url={http://dx.doi.org/10.1016/J.DIB.2015.11.009}, DOI={10.1016/J.DIB.2015.11.009}, abstractNote={This paper describes the utilization of Proton-Nuclear Magnetic Resonance spectroscopy ((1)H NMR) to quantify the stoichiometric ratios between poly (ε-caprolactone) [PCL] and α-cyclodextrin (α-CD) present in their non-stoichiometric inclusion complexes [(n-s)-ICs]. This paper further describes the porosity and fiber alignment of PCL nanofibers nucleated by the [(n-s)-ICs] during electrospinning. (1)H NMR indicated that the two non-stoichiometric inclusion complexes utilized in this study had differing stoichiometric ratios that were closely similar to those of the starting ratios used to make them. Studies on porosity and fiber alignments were conducted on the scanning electron microscope images using ImageJ. The data indicates that both fiber alignment as well as porosity values remain almost the same over all the samples. Thus we can conclude the improvement in mechanical properties was due only to the loading of the ICs, and their subsequent interaction with bulk unthreaded PCL.}, journal={Data in Brief}, publisher={Elsevier BV}, author={Narayanan, Ganesh and Gupta, Bhupender S. and Tonelli, Alan E.}, year={2015}, month={Dec}, pages={1048–1055} }
 @article{zhang_shen_pasquinelli_hinks_tonelli_2015, title={Formation and characterization of an inclusion complex of triphenyl phosphate and β-cyclodextrin and its use as a flame retardant for polyethylene terephthalate}, volume={120}, url={http://www.scopus.com/inward/record.url?eid=2-s2.0-84937944788&partnerID=MN8TOARS}, DOI={10.1016/j.polymdegradstab.2015.07.014}, abstractNote={Triphenyl phosphate (TPP) is widely used as a flame retardant (FR). However, recent studies have indicated that FRs like TPP can be detected in household dust and wildlife and could contribute to obesity and osteoporosis in humans. We hypothesize that the formation of an inclusion complex (IC) between TPP and β-cyclodextrin (β-CD) will reduce its toxicological effects, while retaining the flame retarding properties of TPP, since the formation of FR-CD-ICs is expected to eliminate unnecessary loss of FRs, especially volatile FR compounds like TPP, and release them only during a fire when they are actually needed. After creating the TPP-β-CD-IC, we applied it to polyethylene terephthalate (PET) films by a hot press technique. Untreated PET films, as well as PET films embedded with uncomplexed β-CD and TPP, were prepared in the same way and had comparable thicknesses. Flame tests were conducted for all film samples by following a modified ASTM D 6413 standard. TPP-β-CD-IC exhibited flame resistant performance matching that of neat TPP, even though much less TPP was contained in its β-CD-IC. Incorporation of FRs and other chemical additives into textile substrates in the form of their crystalline CD-ICs is a promising way to reduce the exposure of hazardous chemicals to humans and to our environment while not impacting their efficacy.}, journal={Polymer Degradation and Stability}, publisher={Elsevier BV}, author={Zhang, Nanshan and Shen, Jialong and Pasquinelli, Melissa A. and Hinks, David and Tonelli, Alan E.}, year={2015}, pages={244–250} }
 @article{gurarslan_shen_caydamli_tonelli_2015, title={Pyriproxyfen cyclodextrin inclusion compounds}, volume={82}, ISSN={["1573-1111"]}, DOI={10.1007/s10847-015-0526-7}, number={3-4}, journal={JOURNAL OF INCLUSION PHENOMENA AND MACROCYCLIC CHEMISTRY}, author={Gurarslan, Alper and Shen, Jialong and Caydamli, Yavuz and Tonelli, Alan E.}, year={2015}, month={Aug}, pages={489–496} }
 @misc{tonelli_2014, title={Non-Stoichiometric Polymer-Cyclodextrin Inclusion Compounds: Constraints Placed on Un-Included Chain Portions Tethered at Both Ends and Their Relation to Polymer Brushes}, volume={6}, ISSN={["2073-4360"]}, DOI={10.3390/polym6082166}, abstractNote={When non-covalently bonded crystalline inclusion compounds (ICs) are formed by threading the host cyclic starches, cyclodextrins (CDs), onto guest polymer chains, and excess polymer is employed, non-stoichiometric (n-s)-polymer-CD-ICs, with partially uncovered and “dangling” chains result. The crystalline host CD lattice is stable to ~300 °C, and the uncovered, yet constrained, portions of the guest chains emanating from the CD-IC crystal surfaces behave very distinctly from their neat bulk samples. In CD-IC crystals formed with α- and γ-CD hosts, each containing, respectively, six and eight 1,4-α-linked glucose units, the channels constraining the threaded portions of the guest polymer chains are ~0.5 and 1.0 nm in diameter and are separated by ~1.4 and 1.7 nm. This results in dense brushes with ~0.6 and 0.4 chains/nm2 (or 0.8 if two guest chains are included in each γ-CD channel) of the un-included portions of guest polymers emanating from the host CD-IC crystal surfaces. In addition, at least some of the guest chains leaving from a crystalline CD-IC surface re-enter another CD-IC crystal creating a network structure that leads to shape-memory behavior for (n-s)-polymer-CD-ICs. To some extent, (n-s)-polymer-CD-ICs can be considered as dense polymer brushes with chains that are tethered on both ends. Not surprisingly, the behavior of the un-included portions of the guest polymer chains in (n-s)-polymer-CD-ICs are quite different from those of their neat bulk samples, with higher glass-transition and melt crystallization temperatures and crystallinities. Here we additionally compare their behaviors to samples coalesced from their stoichiometric ICs, and more importantly to dense polymer brushes formed by polymer chains chemically bonded to surfaces at only one end. Judging on the basis of their glass-transition, crystallization and melting temperatures, and crystallinities, we generally find the un-included portions of chains in (n-s)-polymer-CD-ICs to be more constrained than those in neat bulk as-received and coalesced samples and in high density brushes. The last observation is likely because many of the un-included chain portions in (n-s)-polymer-CD-ICs are tethered/constrained at both ends, while the chains in their dense brushes are tethered at only one end.}, number={8}, journal={POLYMERS}, author={Tonelli, Alan E.}, year={2014}, month={Aug}, pages={2166–2185} }
 @article{tonelli_2014, title={PLLA in Solution: A Flexible Random-Coil or an Extended, Rather Rigid Helical Polymer}, volume={47}, ISSN={["1520-5835"]}, DOI={10.1021/ma501576u}, abstractNote={ADVERTISEMENT RETURN TO ISSUEPREVNotePLLA in Solution: A Flexible Random-Coil or an Extended, Rather Rigid Helical PolymerAlan E. Tonelli*View Author Information Fiber & Polymer Science Program, North Carolina State University, Campus Box 8301, 2401 Research Drive, Raleigh, North Carolina 2795-8301, United States*(A.E.T.) E-mail: [email protected]Cite this: Macromolecules 2014, 47, 17, 6141–6143Publication Date (Web):August 22, 2014Publication History Received31 July 2014Revised15 August 2014Published online22 August 2014Published inissue 9 September 2014https://doi.org/10.1021/ma501576uCopyright © 2014 American Chemical SocietyRequest reuse permissionsArticle Views821Altmetric-Citations4LEARN ABOUT THESE METRICSArticle Views are the COUNTER-compliant sum of full text article downloads since November 2008 (both PDF and HTML) across all institutions and individuals. These metrics are regularly updated to reflect usage leading up to the last few days.Citations are the number of other articles citing this article, calculated by Crossref and updated daily. Find more information about Crossref citation counts.The Altmetric Attention Score is a quantitative measure of the attention that a research article has received online. Clicking on the donut icon will load a page at altmetric.com with additional details about the score and the social media presence for the given article. Find more information on the Altmetric Attention Score and how the score is calculated. Share Add toView InAdd Full Text with ReferenceAdd Description ExportRISCitationCitation and abstractCitation and referencesMore Options Share onFacebookTwitterWechatLinked InReddit Read OnlinePDF (1 MB) Get e-AlertscloseSUBJECTS:Chemical calculations,Circular dichroism spectroscopy,Conformation,Energy,Molecular structure Get e-Alerts}, number={17}, journal={MACROMOLECULES}, author={Tonelli, Alan E.}, year={2014}, month={Sep}, pages={6141–6143} }
 @article{narayanan_gupta_tonelli_2014, title={Poly(epsilon-caprolactone) Nanowebs Functionalized with alpha- and gamma-Cyclodextrins}, volume={15}, ISSN={["1526-4602"]}, DOI={10.1021/bm501158w}, abstractNote={The effects of alpha- and gamma-cyclodextrins (α- and γ-CDs) on the thermal and crystal nucleation behavior of electrospun poly(ε-caprolactone) (PCL) nanofibers have been investigated. PCL/CD composite nanofibers were obtained for the first time by electrospinning the mixture from chloroform/N,N-dimethylformamide (60:40). Scanning electron microscopy analyses indicated that neat PCL nanofibers have an average diameter of 400 nm, which increases with the addition of CDs. The presence of CDs on or in the electrospun PCL fibers in the electrospun mats was investigated using Fourier transform infrared spectroscopy, thermogravimetric analysis, and wide-angle X-ray diffraction analysis. Differential scanning calorimetry showed that the PCL/CD composite fibers exhibit higher crystallization temperatures and sharper crystallization exotherms with increased CD loading, indicating the ability of CDs to nucleate PCL crystallization. Water contact angle (WCA) measurements indicate an inverse relationship between WCA and α- or γ-CD concentration up to 30% loading. Phenolphthalein absorption tests were performed to study the kinetics of their inclusion complex (IC) formation with CDs. Unexpectedly, γ-CD-functionalized nanowebs performed better than α-CD. This might be because at elevated loadings some α-CDs may have threaded over PCL chains and formed ICs, whereas γ-CD did not. With their encapsulation capabilities and their lowered hydrophobicity, PCL/CD composite fibers might have potential uses in medical applications, in particular as wound odor absorbants in dressings, because it is well known that CDs can form ICs with these odorants, thereby effectively removing them.}, number={11}, journal={BIOMACROMOLECULES}, author={Narayanan, Ganesh and Gupta, Bhupender S. and Tonelli, Alan E.}, year={2014}, month={Nov}, pages={4122–4133} }
 @article{hardrict_gurarslan_galvin_gracz_roy_sumerlin_genzer_tonelli_2013, title={Characterizing polymer macrostructures by identifying and locating microstructures along their chains with the kerr effect}, volume={51}, ISSN={["0887-6266"]}, DOI={10.1002/polb.23248}, abstractNote={Abstract}, number={9}, journal={JOURNAL OF POLYMER SCIENCE PART B-POLYMER PHYSICS}, author={Hardrict, S. N. and Gurarslan, R. and Galvin, C. J. and Gracz, H. and Roy, D. and Sumerlin, B. S. and Genzer, J. and Tonelli, A. E.}, year={2013}, month={May}, pages={735–741} }
 @article{joijode_antony_tonelli_2013, title={Glass-transition temperatures of nanostructured amorphous bulk polymers and their blends}, volume={51}, ISSN={["1099-0488"]}, DOI={10.1002/polb.23306}, abstractNote={ABSTRACT}, number={13}, journal={JOURNAL OF POLYMER SCIENCE PART B-POLYMER PHYSICS}, author={Joijode, Abhay S. and Antony, Gerry J. and Tonelli, Alan E.}, year={2013}, month={Jul}, pages={1041–1050} }
 @article{joijode_hawkins_tonelli_2013, title={Improving Poly(ethylene terephthalate) Through Self-nucleation}, volume={298}, ISSN={["1439-2054"]}, DOI={10.1002/mame.201200398}, abstractNote={Abstract}, number={11}, journal={MACROMOLECULAR MATERIALS AND ENGINEERING}, author={Joijode, Abhay S. and Hawkins, KaDesia and Tonelli, Alan E.}, year={2013}, month={Nov}, pages={1190–1200} }
 @article{gurarslan_shen_tonelli_2013, title={Single-component poly(epsilon-caprolactone) composites}, volume={54}, ISSN={["1873-2291"]}, DOI={10.1016/j.polymer.2013.08.017}, abstractNote={Abstract Non-covalently bonded crystalline inclusion compounds (ICs) have been formed by threading host cyclic starches, α-cyclodextrins (α-CDs), onto guest poly(e-caprolactone) (PCL) chains and by co-crystallization of guest PCL and host urea (U). PCLs were coalesced from both ICs by appropriate removal of the α-CD and U hosts. When added at low concentrations, PCL coalesced from its α-CD–IC served as an effective self-nucleating agent for the bulk crystallization of as-received PCL from the melt. Film sandwiches consisting of two layers of as-received (asr) (control), and one layer each of asr and self-nucleated (nuc) (composite) PCLs were produced by melt pressing. A composite sandwich consisting of a film of neat PCL coalesced from its U–IC (c-PCL) and a film of asr-PCL was also melt pressed. DSC showed that both composite films maintain their characteristic structures and properties even after melt-pressing them together. Both single component film sandwiches exhibited strong interfaces and better mechanical properties than the asr-PCL/asr-PCL control composite sandwiches. These results are similar to those previously obtained on similarly prepared nylon-6 (N-6) sandwich composites made with asr- and nuc-N-6 films with the same levels of crystallinity. However, while the elongation at break was greatly reduced in the asr-N-6/nuc-N-6 composite, asr-/asr-, asr-/c-, and asr-/nuc-, PCL/PCL-composites all showed similarly large elongations at break. The above room temperature and well below room temperature glass-transition temperatures of N-6 and PCL are likely the cause of their widely different elongations at break.}, number={21}, journal={POLYMER}, author={Gurarslan, Alper and Shen, Jialong and Tonelli, Alan E.}, year={2013}, month={Oct}, pages={5747–5753} }
 @article{gurarslan_shen_tonelli_2012, title={Behavior of Poly(epsilon-caprolactone)s (PCLs) Coalesced from Their Stoichiometric Urea Inclusion Compounds and Their Use as Nucleants for Crystallizing PCL Melts: Dependence on PCL Molecular Weights}, volume={45}, ISSN={["1520-5835"]}, DOI={10.1021/ma300270g}, abstractNote={We have formed noncovalent inclusion compounds (ICs) between guest poly(e-caprolactone) (PCL) chains, with molecular weights ranging from ∼2000 to 80 000 g/mol, and host urea (U). Upon careful removal of the U host, each of the guest PCL chains were coalesced from their U-IC crystals to produce coalesced samples (c-PCLs). As previously observed for PCL and other polymer guests when coalesced from their ICs formed with host cyclodextrins (CDs), upon cooling from their melts, PCLs coalesced from their U-ICs also show enhanced abilities to crystallize, regardless of their molecular weight. Also consistent with polymer guests, including PCL, that were coalesced from their CD-ICs, c-PCLs obtained from their U-ICs retain their enhanced abilities to crystallize even after spending long times (weeks or more) in the melt. Because, unlike CD hosts, U does not thread over guest polymer chains in their ICs, we conclude that the enhanced ability of c-PCLs to crystallize from their melts upon removal of either host fro...}, number={6}, journal={MACROMOLECULES}, author={Gurarslan, Alper and Shen, Jialong and Tonelli, Alan E.}, year={2012}, month={Mar}, pages={2835–2840} }
 @article{williamson_tonelli_2012, title={Constrained polymer chain behavior observed in their non-stoichiometric cyclodextrin inclusion complexes}, volume={72}, DOI={10.1007/s10847-011-9940-7}, number={1-2}, journal={Journal of Inclusion Phenomena and Macrocyclic Chemistry}, author={Williamson, B. R. and Tonelli, A. E.}, year={2012}, pages={71–78} }
 @article{gurarslan_joijode_tonelli_2012, title={Polymers coalesced from their cyclodextrin inclusion complexes: What can they tell us about the morphology of melt-crystallized polymers?}, volume={50}, ISSN={["0887-6266"]}, DOI={10.1002/polb.23074}, abstractNote={Abstract}, number={12}, journal={JOURNAL OF POLYMER SCIENCE PART B-POLYMER PHYSICS}, author={Gurarslan, Alper and Joijode, Abhay S. and Tonelli, Alan E.}, year={2012}, month={Jun}, pages={813–823} }
 @misc{tonelli_2012, title={Restructuring polymers via nanoconfinement and subsequent release}, volume={8}, ISSN={["1860-5397"]}, DOI={10.3762/bjoc.8.151}, abstractNote={During the past several years my students and I have been utilizing certain small-molecule hosts to create nanostructured polymers. This is accomplished by first forming noncovalently bonded inclusion complexes (ICs) between these small-molecule hosts and guest polymers, followed by the careful removal of the host crystalline lattice to obtain a coalesced bulk polymer. We have repeatedly observed that such coalesced polymer samples behave distinctly from those produced from their solutions or melts. Coalesced amorphous homopolymers exhibit higher glass-transition temperatures, while crystallizable homopolymers coalesced from their ICs display higher melting and crystallization temperatures, and sometimes different crystalline polymorphs. When ICs are formed with block copolymers or with two or more different homopolymers, the resulting coalesced samples can exhibit intimate mixing between the copolymer blocks, or between entire homopolymer chains. Each of the distinct behaviors observed for polymers coalesced from their ICs is a consequence of the structural organization of the polymer–host-ICs. Polymer chains in host-IC crystals are confined to occupy narrow channels (diameter ~0.5–1.0 nm) formed by the small-molecule hosts around the included guest polymers during IC crystallization. This results in the separation and high extension of the included guest polymer chains, which leads, following the careful removal of the host molecule lattice, to unique behaviors for the bulk coalesced polymer samples. Apparently, substantial degrees of the extended and unentangled natures of the IC-included chains are retained upon coalescence. In this review we summarize the behaviors and uses of coalesced polymers, and attempt to draw conclusions on the relationship between their behavior and the organization/structures/conformations of the constituent polymer chains achieved upon coalescence from their ICs.}, journal={BEILSTEIN JOURNAL OF ORGANIC CHEMISTRY}, author={Tonelli, Alan E.}, year={2012}, month={Aug}, pages={1318–1332} }
 @article{mohan_gurarslan_joyner_child_tonelli_2011, title={Melt-crystallized nylon-6 nucleated by the constrained chains of its non-stoichiometric cyclodextrin inclusion compounds and the nylon-6 coalesced from them}, volume={52}, ISSN={["0032-3861"]}, DOI={10.1016/j.polymer.2010.12.049}, abstractNote={Non-covalently bonded crystalline inclusion compounds (ICs) have been formed by threading host cyclic starches, cyclodextrins (CDs), onto guest nylon-6 (N-6) chains. When excess N-6 is employed, non-stoichiometric (n-s)-N-6-CD-ICs, with partially uncovered and “dangling” N-6 chains, result. While the host crystalline CD lattice is stable to ∼300 °C, the uncovered, yet constrained, portions of the N-6 chains emanating from the CD-IC surfaces may crystallize below, or be molten above ∼225 °C, and confer upon them shape-memory. When heated between the Tm of N-6 and the decomposition temperature of the (n-s)-N-6-CD-IC, they may be deformed into a new shape, which is retained following a rapid quench below Tm. When this newly-shaped sample is heated above the Tm of the un-included and crystalline portions of N-6, it reverts back to its original shape in response to the constraining CD-IC crystals. When added at low concentrations, the non-toxic (n-s)-N-6-CD-ICs serve as effective nucleating agents for the bulk crystallization of N-6 from the melt. This is a consequence of the ability of the N-6 chains protruding from their (n-s)-CD-ICs to crystallize more rapidly and at higher temperatures than bulk N-6 chains when their molten mixture is cooled, thereby providing finely dispersed crystalline nuclei for the subsequent crystallization of the bulk N-6 chains. Melt-crystallized N-6 nucleated with (n-s)-N-6-CD-ICs have finer grained more homogeneous morphologies than un-nucleated N-6 samples. Furthermore, N-6s coalesced from their CD-ICs by appropriate removal of the host CD are also found to effectively nucleate the melt-crystallization of bulk N-6, even after long periods of annealing above the Tm of N-6. N-6 coalesced from stoichiometric CD-ICs, with full N-6 coverage, and from (n-s)-N-6-CD-ICs, with only partial N-6 coverage, show very similar crystallization behaviors and both are effective as nucleants, and this is reflected by their higher densities and improved mechanical properties.}, number={4}, journal={POLYMER}, author={Mohan, A. and Gurarslan, A. and Joyner, X. and Child, R. and Tonelli, A. E.}, year={2011}, month={Feb}, pages={1055–1062} }
 @article{williamson_krishnaswamy_tonelli_2011, title={Physical properties of poly(epsilon-caprolactone) coalesced from its alpha-cyclodextrin inclusion compound}, volume={52}, ISSN={["1873-2291"]}, DOI={10.1016/j.polymer.2011.07.043}, abstractNote={Poly(ɛ-caprolactone) (PCL) is a biodegradable/bioabsorbable polyester used in such biomedical applications as drug delivery and suture manufacturing. PCL has relatively poor physical properties, however, limiting its load-bearing applications. In this work, PCL was processed with α-cyclodextrin (α-CD) to form an inclusion complex (IC). The host α-CD was then stripped away to yield bulk PCL with largely extended, un-entangled polymer chains, a process referred to as coalescence. The changes in thermal, physical, and solid-state rheological properties resulting from this coalescence process were examined. It was found that elongating and un-entangling the PCL chains in this manner resulted in substantial increases in melt-crystallization temperatures, Tcs, up to 25 °C, depending on the cooling rate from the melt. Coalescence also increased the elastic storage modulus, decreased tan δ, increased the average hardness and Young’s modulus by 33 and 53%, respectively, and produced a closer packing of chains in the non-crystalline sample regions, without affecting the overall PCL crystallinity. Interestingly, the reorganized PCL chains in the non-crystalline regions of coalesced samples did not revert to the normal randomly-coiled entangled melt even after heating well above Tm (90 °C) for a month. The addition of small amounts (a few wt%) of coalesced PCL was also found to effectively nucleate the melt-crystallization of as-received PCL. Thus, the semi-crystalline morphology of PCL may be controlled by melt-processing with coalesced PCL added as a nucleant, that is not only necessarily non-toxic and biodegradable/bioabsorbable, but is also chemically compatible.}, number={20}, journal={POLYMER}, author={Williamson, B. R. and Krishnaswamy, R. and Tonelli, A. E.}, year={2011}, month={Sep}, pages={4517–4527} }
 @article{gurarslan_tonelli_2011, title={Single-Component Polymer Composites}, volume={44}, ISSN={["0024-9297"]}, DOI={10.1021/ma200530w}, abstractNote={Noncovalently bonded crystalline inclusion compounds (ICs) have been formed by threading host cyclic starches, cyclodextrins (CDs), onto guest nylon-6 (N-6) chains. N-6 was coalesced from N-6-α-CD-IC crystals by appropriate removal of the host α-CD. When added at low concentrations, the coalesced N-6 serves as an effective self-nucleating agent for the bulk crystallization of N-6 from the melt. Film sandwiches consisting of two layers of as-received, and one layer each of as-received and self-nucleated N-6 were produced by melt pressing. DSC and tensile tests were conducted on these films. As-received and self-nucleated films have their own characteristic crystallization behaviors, and the film sandwich composed of one layer each of as-received and self-nucleated N-6 show a combination of the component melt-crystallization DSC peaks, indicating that both films maintain their characteristic structures and properties even after melt-processing them into a sandwich composite. This result clearly shows that w...}, number={10}, journal={MACROMOLECULES}, author={Gurarslan, A. and Tonelli, A. E.}, year={2011}, month={May}, pages={3856–3861} }
 @article{vasanthan_white_gyanwali_shin_majikes_pasquinelli_tonelli_2011, title={Unexpected Results from the Comparison of Solid-State Conformations and C-13 NMR Spectra of Poly (trimethylene terephthalate) and Its Model Compounds}, volume={44}, ISSN={["0024-9297"]}, url={http://www.scopus.com/inward/record.url?eid=2-s2.0-80052469025&partnerID=MN8TOARS}, DOI={10.1021/ma201305e}, abstractNote={ADVERTISEMENT RETURN TO ISSUEPREVNoteNEXTUnexpected Results from the Comparison of Solid-State Conformations and 13C NMR Spectra of Poly (trimethylene terephthalate) and Its Model CompoundsN. Vasanthan†, J. L. White‡, G. Gyanwali‡, I. D. Shin§, J. Majikes∥, M. A. Pasquinelli∥, and A. E. Tonelli*∥View Author Information† Department of Chemistry, Long Island University, Brooklyn, New York 11201, United States‡ Department of Chemistry, Oklahoma State University, Stillwater, Oklahoma 74078, United States§ College of Pharmacy & Health Sciences, Campbell University, Buies Creek, North Carolina 27506, United States∥ Fiber & Polymer Science, North Carolina State University, Campus Box 8301, Raleigh, North Carolina 27695-8301, United StatesE-mail: [email protected]Cite this: Macromolecules 2011, 44, 17, 7050–7055Publication Date (Web):August 17, 2011Publication History Received9 June 2011Revised1 August 2011Published online17 August 2011Published inissue 13 September 2011https://doi.org/10.1021/ma201305eCopyright © 2011 American Chemical SocietyRIGHTS & PERMISSIONSArticle Views343Altmetric-Citations3LEARN ABOUT THESE METRICSArticle Views are the COUNTER-compliant sum of full text article downloads since November 2008 (both PDF and HTML) across all institutions and individuals. These metrics are regularly updated to reflect usage leading up to the last few days.Citations are the number of other articles citing this article, calculated by Crossref and updated daily. Find more information about Crossref citation counts.The Altmetric Attention Score is a quantitative measure of the attention that a research article has received online. Clicking on the donut icon will load a page at altmetric.com with additional details about the score and the social media presence for the given article. Find more information on the Altmetric Attention Score and how the score is calculated. Share Add toView InAdd Full Text with ReferenceAdd Description ExportRISCitationCitation and abstractCitation and referencesMore Options Share onFacebookTwitterWechatLinked InReddit Read OnlinePDF (2 MB) Get e-AlertsSUBJECTS:Carbene compounds,Carbonyls,Conformation,Phenyls,Resonance structures Get e-Alerts}, number={17}, journal={MACROMOLECULES}, publisher={American Chemical Society}, author={Vasanthan, N. and White, J. L. and Gyanwali, G. and Shin, I. D. and Majikes, J. and Pasquinelli, M. A. and Tonelli, A. E.}, year={2011}, month={Sep}, pages={7050–7055} }
 @article{busche_tonelli_balik_2010, title={Compatibilization of polystyrene/poly(dimethyl siloxane) solutions with star polymers containing a gamma-cyclodextrin core and polystyrene arms}, volume={51}, ISSN={["1873-2291"]}, DOI={10.1016/j.polymer.2009.11.069}, abstractNote={Solutions of polystyrene and poly(dimethyl siloxane) in chloroform are compatibilized by the addition of a small amount of a star polymer consisting of a γ-cyclodextrin core and polystyrene arms. Compatibilization is visually observed when turbid PDMS/PS emulsions become clear upon addition of the CD-star molecule. The mechanism of compatibilization involves threading of the CD-core by PDMS and solubilization of the resulting “slip-ring graft copolymer” via the PS star arms. This process breaks up the undissolved PDMS domains into smaller, more stable micelles. Evidence for threading of the CD-core by PDMS is found using ROESY 2D-NMR. Intrinsic viscosity measurements for the compatibilized solutions show behavior similar to conventional graft copolymers which form micelles in a selective solvent. Dynamic light scattering measurements suggest that the micelle size is approximately 20 nm. The effects of varying the PDMS molecular weight, PDMS concentration and CD-star concentration are studied.}, number={2}, journal={POLYMER}, author={Busche, Brad J. and Tonelli, Alan E. and Balik, C. Maurice}, year={2010}, month={Jan}, pages={454–462} }
 @article{agrawal_kim_tonelli_whang_2010, title={Cyclodextrin Inclusion Complex Formation with Butylated Hydroxytoluene and Its Application in Polyethylene Film}, volume={118}, ISSN={["1097-4628"]}, DOI={10.1002/app.32543}, abstractNote={Abstract}, number={2}, journal={JOURNAL OF APPLIED POLYMER SCIENCE}, author={Agrawal, Manisha and Kim, Young Teck and Tonelli, Alan and Whang, Hyun Suk}, year={2010}, month={Oct}, pages={1184–1190} }
 @article{tonelli_jhon_genzer_2010, title={Glass Transition Temperatures of Styrene/4-BrStyrene Copolymers with Variable Co-Monomer Compositions and Sequence Distributions}, volume={43}, ISSN={["0024-9297"]}, DOI={10.1021/ma101355f}, abstractNote={In both equations WA and WB are the weight fractions of comonomer units A and B. In eq 1 TgA and TgB are the glass transition temperatures of homopolymers poly-A and poly-B, and in eq 2 PAA, PAB =PBA, PBB and TgAA, TgAB, TgBB are the probabilities/populations of and glass-transitions temperatures contributed by each distinct comonomer diad. Figure 1 illustrates both behaviors, as observed in methacrylate (MA) copolymers with vinyl chloride (VC) and vinylidene chloride (VDC). While VC-MA copolymers follow the weightadditive relation (eq 1) of Fox et al., VDC-MA copolymers deviate strongly, with observed Tgps far above those given by the Fox equation, even though the Tgs of PMA and PVDC homopolymers are nearly identical. This is particularly evident when comparing the Tgps of random and regularly alternating VDCMA copolymers, each having the same overall 50:50 molar composition. The 50:50 random VDC-MA copolymer has a Tgp some 35 C above that predicted by the Fox relation (eq 1), while the regularly alternating sample’sTgp is an additional 15 C higher than that of the 50:50 random copolymer. The contrasting Tgp behavior evidenced byVC-MAandVDC-MAcopolymers was previously suggested to be the consequence of the conformational flexibilities of their individual copolymer chains. Therewe put forward the following relationship to describe the deviation between the glass-transition temperatures observed for copolymers Tgp(obs) and those predicted by the Fox Relation (eq 1), Tgp(Fox), dependent solely upon the overall weight-average chemical composition of comonomers:}, number={16}, journal={MACROMOLECULES}, author={Tonelli, Alan E. and Jhon, Young K. and Genzer, Jan}, year={2010}, month={Aug}, pages={6912–6914} }
 @misc{jun_kotek_tonelli_vasanthan_2010, title={High modulus polyamide fibers}, volume={7,666,499}, number={2010 Feb. 23}, author={Jun, D. and Kotek, R. and Tonelli, A. E. and Vasanthan, N.}, year={2010} }
 @article{busche_tonelli_balik_2010, title={Morphology of polystyrene/poly(dimethyl siloxane) blends compatibilized with star polymers containing a gamma-cyclodextrin core and polystyrene arms}, volume={51}, ISSN={["1873-2291"]}, DOI={10.1016/j.polymer.2010.01.019}, abstractNote={Abstract A star polymer with a γ–CD core and PS arms is used to compatibilize blends of the immiscible polymers PS and PDMS. The mechanism of compatibilization is threading of the CD core by PDMS and subsequent solubilization in the PS matrix facilitated by the star arms. Spun-cast films of this blend are examined with optical microscopy, scanning electron microscopy and atomic force microscopy. Blends without CD-star exhibit large-scale phase separation, whereas those containing CD-star exhibit very homogeneous morphologies in the optical microscope and nanometer-sized phase domains in the AFM. The effect of PDMS molecular weight on the blend morphology is insignificant. The morphology of the compatibilized films does not change significantly after annealing at 125 °C for 3 days, indicating that the CD-star polymer effectively stabilizes these blends at temperatures where both polymers are mobile and could otherwise undergo large-scale phase separation. The degree of compatibilization in these blends is correlated with the molar ratio of PDMS repeat units to CD-star molecules.}, number={6}, journal={POLYMER}, author={Busche, Brad J. and Tonelli, Alan E. and Balik, C. Maurice}, year={2010}, month={Mar}, pages={1465–1471} }
 @article{busche_tonelli_balik_2010, title={Properties of polystyrene/poly(dimethyl siloxane) blends partially compatibilized with star polymers containing a gamma-cyclodextrin core and polystyrene arms}, volume={51}, ISSN={["1873-2291"]}, DOI={10.1016/j.polymer.2010.10.024}, abstractNote={Abstract A star polymer with a γ-CD core and PS arms (CD-star) is used to partially compatibilize blends of the immiscible polymers polystyrene (PS) and poly(dimethylsiloxane) (PDMS). The mechanism of compatibilization is threading of the CD core by PDMS and subsequent solubilization in the PS matrix facilitated by the star arms. Films cast from clear solutions in chloroform exhibit large wispy PDMS domains, indicating that some dethreading of CD-star and agglomeration of PDMS takes place during the slow process of solvent evaporation. However, DSC and DMA data show that partial compatibilization takes place, as evidenced by a shift in the PS and PDMS Tgs toward each other. The shift in PS Tg is greater when CD-star is present compared to samples without CD-star. PDMS also tends to leach out of the solution-cast films during solvent evaporation and post-processing of the films. The amount of retained PDMS is significantly increased when CD-star is present. The DMA data also show that PDMS has a lower molecular mobility when CD-star is present.}, number={25}, journal={POLYMER}, author={Busche, Brad J. and Tonelli, Alan E. and Balik, C. Maurice}, year={2010}, month={Nov}, pages={6013–6020} }
 @article{tonelli_2009, title={A Case for Characterizing Polymers with the Kerr Effect}, volume={42}, ISSN={["0024-9297"]}, DOI={10.1021/ma9003743}, abstractNote={We briefly summarize Kerr effect studies of dilute polymer solutions, taken from our own work, for the purpose of emphasizing their unique ability to characterize polymer microstructures. In cases where at least one of their monomer repeat units is polar or at least reasonably and anisotropically polarizable, the molar Kerr constants, mK, of polymers obtained from the electrical birefringence measured for their dilute solutions are demonstrated to be exquisitely sensitive to their microstructures, including the tacticities of homo- and copolymers and the comonomer sequences of copolymers. In addition, because the mKs expected for polymers with given or known microstructures can be calculated if their conformational characteristics have been established, comparison of observed and calculated mKs can also be used to confirm or derive their conformational characteristics, such as those embodied in their rotational isomeric states (RIS) models. From such comparisons of observed and calculated mKs, we were abl...}, number={12}, journal={MACROMOLECULES}, author={Tonelli, Alan E.}, year={2009}, month={Jun}, pages={3830–3840} }
 @article{mohan_joyner_kotek_tonelli_2009, title={Constrained/Directed Crystallization of Nylon-6. I. Nonstoichiometric Inclusion Compounds Formed with Cyclodextrins}, volume={42}, ISSN={["1520-5835"]}, DOI={10.1021/ma901599c}, abstractNote={Noncovalently bonded crystalline inclusion compounds (ICs) have been formed by threading host cyclic starches, cyclodextrins (CDs), onto guest nylon-6 (N-6) chains. When excess N-6 is employed, nonstoichiometric (n-s)-N-6-CD-ICs, with partially uncovered and “dangling” N-6 chains, result. While the host crystalline CD lattice is stable to ∼300 °C, the uncovered, yet constrained, portions of the N-6 chains emanating from the CD-IC surfaces may crystallize below or be molten above ∼225 °C. We have been studying the constrained crystallization of the unthreaded N-6 chains “dangling” from (n-s)-N-6-CD-ICs, with comparison to bulk N-6 samples, as functions of N-6 molecular weights, lengths of uncovered N-6 chains (N-6:CD stoichiometry), and the CD host used. In the IC channels formed with host α- and γ-CDs containing 6 and 8 glucose units, respectively, single and pairs of side-by-side N-6 chains are threaded and included. In α-CD-ICs, the ∼0.5 nm channels produced by stacked α-CDs are separated by ∼1.4 nm, wh...}, number={22}, journal={MACROMOLECULES}, author={Mohan, Anushree and Joyner, Xavier and Kotek, Richard and Tonelli, Alan E.}, year={2009}, month={Nov}, pages={8983–8991} }
 @article{tonelli_2009, title={Molecular Processing of Polymers with Cyclodextrins}, volume={222}, ISBN={["978-3-642-01409-3"]}, ISSN={["1436-5030"]}, DOI={10.1007/12_2008_2}, abstractNote={We summarize our recent studies employing the cyclic starch derivatives called cyclodextrins (CDs) to both nanostructure and functionalize polymers. Two important structural characteristics of CDs are taken advantage of to achieve these goals. First the ability of CDs to form noncovalent inclusion complexes (ICs) with a variety of guest molecules, including many polymers, by threading and inclusion into their relatively hydrophobic interior cavities, which are roughly cylindrical with diameters of ∼ 0.5 − 1.0 nm. α-, β-, and γ-CD contain six, seven, and eight α-1,4-linked glucose units, respectively. Warm water washing of polymer-CD–ICs containing polymer guests insoluble in water or treatment with amylase enzymes serves to remove the host CDs and results in the coalescence of the guest polymers into solid samples. When guest polymers are coalesced from the CD–ICs by removing their host CDs, they are observed to solidify with structures, morphologies, and even conformations that are distinct from bulk samples made from their solutions and melts. Molecularly mixed, intimate blends of two or more polymers that are normally immiscible can be obtained from their common CD–ICs, and the phase segregation of incompatible blocks can be controlled (suppressed or increased) in CD–IC coalesced block copolymers. In addition, additives may be more effectively delivered to polymers in the form of their crystalline CD–ICs or soluble CD–rotaxanes. Secondly, the many hydroxyl groups attached to the exterior rims of CDs, in addition to conferring water solubility, provide an opportunity to covalently bond them to polymers either during their syntheses or via postpolymerization reactions. Polymers containing CDs in their backbones or attached to their side chains are observed to more readily accept and retain additives, such as dyes and fragrances. Processing with CDs can serve to both nanostructure and functionalize polymers, leading to greater understanding of their behaviors and to new properties and applications.}, journal={INCLUSION POLYMERS}, author={Tonelli, Alan E.}, year={2009}, pages={115–166} }
 @article{tonelli_2009, title={Organizational Stabilities of Bulk Neat and Well-Mixed, Blended Polymer Samples Coalesced from Their Crystalline Inclusion Compounds Formed with Cyclodextrins}, volume={47}, ISSN={["1099-0488"]}, DOI={10.1002/polb.21753}, abstractNote={Abstract}, number={16}, journal={JOURNAL OF POLYMER SCIENCE PART B-POLYMER PHYSICS}, author={Tonelli, Alan E.}, year={2009}, month={Aug}, pages={1543–1553} }
 @article{gupta_saquing_afshari_tonelli_khan_kotek_2009, title={Porous Nylon-6 Fibers via a Novel Salt-Induced Electrospinning Method}, volume={42}, ISSN={["1520-5835"]}, DOI={10.1021/ma801918c}, abstractNote={Porous nylon-6 fibers are obtained from Lewis acid-base complexation of gallium trichloride (GaCl3) and nylon-6 using electrospinning followed by GaCl3 removal. DSC and FTIR results reveal that the electrospun fibers, prior to GaCl3 removal, are amorphous with no hydrogen bonds present between nylon-6 chains. GaCl3 being a Lewis acid interacts with the Lewis base sites (CdO groups) on the nylon-6 chains, thereby preventing the chains to crystallize via intermolecular hydrogen bonding. Subsequent removal of GaCl3 from the as-spun fibers by soaking the electrospun web in water for 24 h leads to the formation of pores throughout the fibers. While the average fiber diameter remains effectively the same after salt removal, the average surface area increases by more than a factor of 6 for the regenerated fibers. The dual use of a metal salt (Lewis acid) to (a) facilitate fiber formation by temporary removal of polymer interchain interactions and (b) act as a porogen provides a facile approach to obtain porous fibers via electrospinning.}, number={3}, journal={MACROMOLECULES}, author={Gupta, Amit and Saquing, Carl D. and Afshari, Mehdi and Tonelli, Alan E. and Khan, Saad A. and Kotek, Richard}, year={2009}, month={Feb}, pages={709–715} }
 @article{hutchinson_tonelli_gupta_buchanan_2008, title={An investigation of the structure-property relationships in melt-processable high-acrylonitrile copolymer filaments}, volume={43}, ISSN={["0022-2461"]}, DOI={10.1007/s10853-008-2727-6}, number={15}, journal={JOURNAL OF MATERIALS SCIENCE}, author={Hutchinson, Shawn R. and Tonelli, Alan E. and Gupta, Buphender S. and Buchanan, David R.}, year={2008}, month={Aug}, pages={5143–5156} }
 @article{tonelli_2008, title={Cyclodextrins as a means to nanostructure and functionalize polymers}, volume={60}, ISSN={["1573-1111"]}, DOI={10.1007/s10847-007-9372-6}, number={3-4}, journal={JOURNAL OF INCLUSION PHENOMENA AND MACROCYCLIC CHEMISTRY}, author={Tonelli, Alan E.}, year={2008}, month={Apr}, pages={197–202} }
 @article{whang_vendeix_gracz_gadsby_tonelli_2008, title={NMR studies of the inclusion complex of cloprostenol sodium salt with beta-cyclodextrin in aqueous solution}, volume={25}, ISSN={["1573-904X"]}, DOI={10.1007/s11095-007-9493-z}, abstractNote={{"Label"=>"PURPOSE", "NlmCategory"=>"OBJECTIVE"} Cloprostenol sodium salt (referred as cloprostenol) may be used for the synchronization of estrous cycles in farm animal species. Cyclodextrins (CDs) have potential as drug delivery systems through the formation of inclusion complexes between CDs and drugs. This is the first study of the inclusion complex of cloprostenol with beta-cyclodextrin (beta-CD) in aqueous solution using NMR and 3D molecular dynamics simulations. {"Label"=>"METHODS", "NlmCategory"=>"METHODS"} 1D proton NMR spectra of beta-CD, a complex of cloprostenol with beta-CD, and cloprostenol in D(2)O were assigned and confirmed. The cross relaxation interactions from ROESY were used as constraints for 3D molecular modeling studies. {"Label"=>"RESULTS", "NlmCategory"=>"RESULTS"} In the 2D ROESY of the complex, cross-peaks were observed between the aromatic protons of cloprostenol and protons of the beta-CD as well as between aliphatic protons and protons of the beta-CD. The stoichiometry of the complex was found that beta-CD forms a 1:1 inclusion complex with cloprostenol. The association constant K was 968 +/- 120 M(-1) at 298 K. {"Label"=>"CONCLUSIONS", "NlmCategory"=>"CONCLUSIONS"} Aromatic side and/or aliphatic side chains of the cloprostenol is included in the beta-CD while aliphatic side and/or aromatic side chains wraps around beta-CD, respectively. The molecular modeling also confirms that beta-CD forms a 1:1 inclusion complex with cloprostenol.}, number={5}, journal={PHARMACEUTICAL RESEARCH}, author={Whang, Hyun Suk and Vendeix, Franck A. P. and Gracz, Hanna S. and Gadsby, John and Tonelli, Alan}, year={2008}, month={May}, pages={1142–1149} }
 @article{tonelli_2008, title={Nanostructuring and functionalizing polymers with cyclodextrins}, volume={49}, ISSN={["1873-2291"]}, DOI={10.1016/j.polymer.2007.12.003}, abstractNote={We summarize our recent studies employing the cyclic starches called cyclodextrins (CDs) to both nanostructure and functionalize polymers. Two important structural characteristics of CDs are taken as advantages to achieve these goals. First the ability of CDs to form non-covalent inclusion complexes (ICs) with a variety of guest molecules, including many polymers, by threading and inclusion into their relatively hydrophobic interior cavities, which are roughly cylindrical with diameters of ∼0.5 to 1.0 nm for α-, β-, and γ-CD containing 6, 7, and 8 α-1,4-linked glucose units, respectively. When guest polymers are coalesced from the CD-ICs by removing their host CDs, they are observed to solidify with structures, morphologies, and even conformations that are distinct from bulk samples made from their solutions and melts. Molecularly mixed, intimate blends of two or more polymers that are normally immiscible can be obtained from their common CD-ICs, and the phase segregation of incompatible blocks can be controlled (suppressed or increased) in CD-IC coalesced block copolymers. In addition, additives may be more effectively delivered to polymers in the form of their soluble or crystalline CD-ICs or rotaxanes. Secondly, many –OH groups attached to the exterior rims of CDs, in addition to conferring water solubility, provide an opportunity to covalently bond them to polymers either during their syntheses or via post-polymerization reactions. Polymers containing CDs in their backbones or attached to their side chains are observed to more readily accept and retain additives, such as dyes, fragrances, etc. They may also be further reacted or treated through their CDs to cross-link and form networks or to form blends with other polymers having a propensity to thread through their attached CD cavities.}, number={7}, journal={POLYMER}, author={Tonelli, Alan E.}, year={2008}, month={Apr}, pages={1725–1736} }
 @article{afshari_gupta_wook_kotek_tonelli_vasanthan_2008, title={Properties of Lewis acid-base complex of nylon 6,6: Route to high performance fibers}, volume={49}, journal={Polymer}, author={Afshari, M. and Gupta, A. and Wook, D. J. and Kotek, R. and Tonelli, A. and Vasanthan, N.}, year={2008}, pages={1297–1304} }
 @article{afshari_gupta_jung_kotek_tonelli_vasanthan_2008, title={Properties of films and fibers obtained from Lewis acid-base complexed nylon 6,6}, volume={49}, ISSN={["0032-3861"]}, DOI={10.1016/j.polymer.2008.01.038}, abstractNote={A nylon 6,6 complex with GaCl3 in nitromethane (4–5 wt% nylon 6,6) was prepared at 50–70 °C over 24 h for the purpose of disrupting the interchain hydrogen bonding between nylon 6,6 chains, resulting in amorphous nylon 6,6, and increasing the draw ratio for improving the performance of nylon 6,6 fibers. After drawing, complexed films and fibers were soaked in water to remove GaCl3 and regenerate pure nylon 6,6 films and fibers. FTIR, SEM, DSC, TGA, and mechanical properties were used for characterization of the regenerated nylon 6,6 films and fibers. The amorphous complexed nylon 6,6 can be stretched to high draw ratios at low strain rates, due to the absence of hydrogen bonding and crystallinity in these complexed samples. Draw ratios of 7–13 can be achieved for complexed fibers, under low strain rate stretching. This study indicates that nylon 6,6 fibers made from the GaCl3 complexed state, using a high molecular weight polymer, can reach initial moduli up to 13 GPa, compared to initial moduli of 6 GPa for commercial nylon 6,6 fibers. Lewis acid–base complexation of polyamides provides a way to temporarily suppress hydrogen bonding, potentially increasing orientation while drawing, and following regeneration of hydrogen bonding in the drawn state, to impart higher performance to their fibers.}, number={5}, journal={POLYMER}, author={Afshari, M. and Gupta, A. and Jung, D. and Kotek, R. and Tonelli, A. E. and Vasanthan, N.}, year={2008}, month={Mar}, pages={1297–1304} }
 @article{whang_tonelli_2008, title={Release characteristics of the non-toxic insect repellant 2-undecanone from its crystalline inclusion compound with alpha-cyclodextrin}, volume={62}, ISSN={["1573-1111"]}, DOI={10.1007/s10847-008-9447-z}, number={1-2}, journal={JOURNAL OF INCLUSION PHENOMENA AND MACROCYCLIC CHEMISTRY}, author={Whang, Hyun Suk and Tonelli, Alan}, year={2008}, month={Oct}, pages={127–134} }
 @article{tonelli_2008, title={Soluble PEG-alpha-CD-rotaxanes: Where on the PEG chains are the permanently threaded alpha-CDs located and are they mobile?}, volume={41}, ISSN={["0024-9297"]}, DOI={10.1021/ma800447y}, abstractNote={ADVERTISEMENT RETURN TO ISSUEPREVNoteSoluble PEG-α-CD-Rotaxanes: Where on the PEG Chains Are the Permanently Threaded α-CDs Located and Are They Mobile?Alan E. TonelliView Author Information Fiber & Polymer Science Program, North Carolina State University, Campus Box 8301, Raleigh, North Carolina 27695-8301Cite this: Macromolecules 2008, 41, 11, 4058–4060Publication Date (Web):May 15, 2008Publication History Received28 February 2008Revised26 March 2008Published online15 May 2008Published inissue 1 June 2008https://doi.org/10.1021/ma800447yCopyright © 2008 American Chemical SocietyRIGHTS & PERMISSIONSArticle Views594Altmetric-Citations17LEARN ABOUT THESE METRICSArticle Views are the COUNTER-compliant sum of full text article downloads since November 2008 (both PDF and HTML) across all institutions and individuals. These metrics are regularly updated to reflect usage leading up to the last few days.Citations are the number of other articles citing this article, calculated by Crossref and updated daily. Find more information about Crossref citation counts.The Altmetric Attention Score is a quantitative measure of the attention that a research article has received online. Clicking on the donut icon will load a page at altmetric.com with additional details about the score and the social media presence for the given article. Find more information on the Altmetric Attention Score and how the score is calculated. Share Add toView InAdd Full Text with ReferenceAdd Description ExportRISCitationCitation and abstractCitation and referencesMore Options Share onFacebookTwitterWechatLinked InReddit Read OnlinePDF (143 KB) Get e-AlertsSUBJECTS:Alcohols,Conformation,Luminescence,Mathematical methods,Rotaxanes Get e-Alerts}, number={11}, journal={MACROMOLECULES}, author={Tonelli, Alan E.}, year={2008}, month={Jun}, pages={4058–4060} }
 @article{hunt_tonelli_balik_2008, title={The effect of water and guest hydrophobicity on the complexation of oligomers with solid alpha-cyclodextrin}, volume={49}, ISSN={["0032-3861"]}, DOI={10.1016/j.polymer.2008.01.007}, abstractNote={α-Cyclodextrin (α-CD), a cyclic oligosaccharide, can form inclusion complexes (ICs) with polymer molecules in which α-CD molecules stack in the columnar crystal to form a molecular tube. Physical mixtures of α-CD powder and oligomeric liquids such as poly(ethylene glycol) (PEG) have been shown to spontaneously form an IC, which is accompanied by a solid-state α-CD phase transformation from the cage to the columnar crystal structure. In this paper, the phase transformation is tracked with wide-angle X-ray diffraction as a function of temperature, atmospheric water vapor content and the type of guest molecule. A first-order kinetic model is used to describe the kinetics of complexation. The time required to completely complex PEG200 (200 g/mol) at low water activities is greater than 300 h, whereas only a few hours are necessary at high water activities. Solid-state complexation of α-CD with a hydrophobic guest molecule (hexatriacontane, HTC), is also reported here for the first time. Slower complexation kinetics are observed for α-CD with HTC compared to PEG600 (600 g/mol).}, number={4}, journal={POLYMER}, author={Hunt, Marcus A. and Tonelli, Alan E. and Balik, C. Maurice}, year={2008}, month={Feb}, pages={985–991} }
 @article{tonelli_ashrafi_gupta_kotek_2007, title={A novel method for producing porous Nylon 6 nanofibers}, journal={Polymer}, author={Tonelli, A.E. and Ashrafi, M. and Gupta, A. and Kotek, R.}, year={2007} }
 @article{hunt_tonelli_balik_2007, title={Effect of guest hydrophobicity on water sorption behavior of oligomer/alpha-cyclodextrin inclusion complexes}, volume={111}, ISSN={["1520-6106"]}, DOI={10.1021/jp070145t}, abstractNote={Cyclomaltohexaose (alpha-cyclodextrin, alpha-CD) can form inclusion complexes (ICs) with polymer molecules in the columnar crystal structure in which alpha-CD molecules stack to form a molecular tube. Complementary water vapor sorption and wide-angle X-ray diffractomery (WAXD) were performed on oligomer/alpha-CD ICs to determine their structures and stabilities. To discern the effect of guest molecule hydrophobicity on water adsorption isotherms, polyethylene glycol (PEG, MW = 600 g/mol) and hexatriacontane (HTC) guests were used. Sorption isotherms for PEG/alpha-CD IC are similar to those obtained for pure alpha-CD and PEG, suggesting the presence of dethreaded PEG in the sample. WAXD collected before and after water vapor sorption of PEG/alpha-CD IC indicated a partial conversion from columnar to cage crystal structure, the thermodynamically preferred structure for pure alpha-CD, due to dethreading of PEG. This behavior does not occur for HTC/alpha-CD IC. Sorption isotherms collected at 20, 30, 40, and 50 degrees C allowed the calculation of the isosteric heats of adsorption and the integral entropies of adsorbed water which are characterized by minima that indicate the monolayer concentration of water in the ICs.}, number={15}, journal={JOURNAL OF PHYSICAL CHEMISTRY B}, author={Hunt, Marcus A. and Tonelli, Alan E. and Balik, C. Maurice}, year={2007}, month={Apr}, pages={3853–3858} }
 @article{hunt_tonelli_balik_2007, title={Effect of guest hydrophobicity on water sorption behavior of oligomer/alpha-cyclodextrin inclusion complexes (vol 111B, pg 3853, 2007)}, volume={111}, ISSN={["1520-6106"]}, DOI={10.1021/jp0733926}, abstractNote={ADVERTISEMENT RETURN TO ISSUEPREVAddition/CorrectionORIGINAL ARTICLEThis notice is a correctionEffect of Guest Hydrophobicity on Water Sorption Behavior of Oligomer/α-Cyclodextrin Inclusion ComplexesMarcus A. Hunt, Alan E. Tonelli, and C. Maurice BalikCite this: J. Phys. Chem. B 2007, 111, 22, 6288Publication Date (Web):May 15, 2007Publication History Published online15 May 2007Published inissue 1 June 2007https://doi.org/10.1021/jp0733926Copyright © 2007 American Chemical SocietyRIGHTS & PERMISSIONSArticle Views224Altmetric-Citations2LEARN ABOUT THESE METRICSArticle Views are the COUNTER-compliant sum of full text article downloads since November 2008 (both PDF and HTML) across all institutions and individuals. These metrics are regularly updated to reflect usage leading up to the last few days.Citations are the number of other articles citing this article, calculated by Crossref and updated daily. Find more information about Crossref citation counts.The Altmetric Attention Score is a quantitative measure of the attention that a research article has received online. Clicking on the donut icon will load a page at altmetric.com with additional details about the score and the social media presence for the given article. Find more information on the Altmetric Attention Score and how the score is calculated. Share Add toView InAdd Full Text with ReferenceAdd Description ExportRISCitationCitation and abstractCitation and referencesMore Options Share onFacebookTwitterWechatLinked InReddit PDF (8 KB) Get e-Alerts Get e-Alerts}, number={22}, journal={JOURNAL OF PHYSICAL CHEMISTRY B}, author={Hunt, Marcus A. and Tonelli, Alan E. and Balik, C. Maurice}, year={2007}, month={Jun}, pages={6288–6288} }
 @article{semler_jhon_tonelli_beevers_krishnamoorti_genzer_2007, title={Facile method of controlling monomer sequence distributions in random copolymers}, volume={19}, DOI={10.1002/adma.200602359}, abstractNote={Inthis report, we present a simple methodology facilitating theformation of A-B random copolymers with tunable sequencedistributions. We demonstrate that varying the degree ofblockiness in the sequence distribution of A and B monomershas a profound impact on the partition of random copolymersat interfaces.Random copolymers (RCPs) are long chain moleculesmade of covalently bound monomers comprising at least twodifferent chemical moieties (say, A and B). In addition to theoverall molecular weight, RCPs are characterized by theircomposition and monomer sequence distribution. The abilityof A-B RCPs to act as “homopolymers with tunable composi-tion”, ranging between A and B homopolymers, has recentlyattracted considerable attention in controlling polymer misci-bility}, number={19}, journal={Advanced Materials}, author={Semler, J. J. and Jhon, Y. K. and Tonelli, A. and Beevers, M. and Krishnamoorti, R. and Genzer, Jan}, year={2007}, pages={2877-} }
 @article{martinez_gomez_villar-rodil_garrido_tonelli_balik_2007, title={Formation of crystalline inclusion compounds of poly (vinyl chloride) of different stereoregularity with gamma-cyclodextrin}, volume={45}, ISSN={["1099-0518"]}, DOI={10.1002/pola.22014}, abstractNote={Abstract}, number={12}, journal={JOURNAL OF POLYMER SCIENCE PART A-POLYMER CHEMISTRY}, author={Martinez, Gerardo and Gomez, Marian A. and Villar-Rodil, Silvia and Garrido, Leoncio and Tonelli, Alan E. and Balik, C. Maurice}, year={2007}, month={Jun}, pages={2503–2513} }
 @article{paik_poliks_rusa_tonelli_schaefer_2007, title={Molecular motion of polycarbonate included in gamma-cyclodextrin}, volume={45}, ISSN={["0887-6266"]}, DOI={10.1002/polb.21112}, abstractNote={Abstract}, number={11}, journal={JOURNAL OF POLYMER SCIENCE PART B-POLYMER PHYSICS}, author={Paik, Younkee and Poliks, Barbara and Rusa, Cristian C. and Tonelli, Alan E. and Schaefer, Jacob}, year={2007}, month={Jun}, pages={1271–1282} }
 @article{whang_hunt_wrench_hockney_farin_tonelli_2007, title={Nonoxynol-9-alpha-cyclodextrin inclusion compound and its application for the controlled release of nonoxynol-9 spermicide}, volume={106}, ISSN={["1097-4628"]}, DOI={10.1002/app.26956}, abstractNote={Abstract}, number={6}, journal={JOURNAL OF APPLIED POLYMER SCIENCE}, author={Whang, Hyun Suk and Hunt, Marcus A. and Wrench, Nicola and Hockney, Jessica E. and Farin, Charlotte E. and Tonelli, Alan E.}, year={2007}, month={Dec}, pages={4104–4109} }
 @inbook{afshari_kotek_jung_tonelli_2007, title={Producing fibers by electrospinning}, ISBN={9781420044492}, booktitle={Nanofibers and nanotechnology in textiles}, publisher={Cambridge: Woodhead Publishing, in association with The Textile Institute}, author={Afshari, M. and Kotek, R. and Jung, D. and Tonelli, A.}, editor={P.J. Brown and Stevens, K.Editors}, year={2007} }
 @inbook{afshari_wook_kotek_tonelli_2007, title={Producing polyamide nanofibers by electrospinning}, ISBN={9781845691059}, DOI={10.1201/9781439823965.ch4}, booktitle={Nanofibers and nanotechnology in textiles}, publisher={Cambridge: Woodhead Publishing}, author={Afshari, M. and Wook, D. J. and Kotek, R. and Tonelli, A.}, editor={P.J. Brown and Stevens, K.Editors}, year={2007}, pages={71–87} }
 @article{uyar_rusa_tonelli_hacaloglu_2007, title={Pyrolysis mass spectrometry analysis of polycarbonate/poly(methyl methacrylate)/poly(vinyl acetate) ternary blends}, volume={92}, ISSN={["1873-2321"]}, DOI={10.1016/j.polymdegradstab.2006.10.002}, abstractNote={Direct insertion probe pyrolysis mass spectrometry (DIP-MS) analyses of polycarbonate/poly(methyl methacrylate)/poly(vinyl acetate), (PC/PMMA/PVAc), ternary blends have been performed. The PC/PMMA/PVAc ternary blends were obtained by coalescing from their common γ-cyclodextrin–inclusion compounds (CD–ICs), through the removal of the γ-CD host (coalesced blend), and by a co-precipitation method (physical blend). The coalesced ternary blend showed different thermal behaviors compared to the co-precipitated physical blend. The stability of PC chains decreased due to the reactions of CH3COOH formed by deacetylation of PVAc above 300 °C, for both coalesced and physical blends. This process was more effective for the physical blend most likely due to the enhanced diffusion of CH3COOH into the amorphous PC domains, where it can further react producing low molecular weight PC fragments bearing methyl carbonate chain ends. The decrease in thermal stability of PC chains was less significant for the coalesced ternary blend indicating that the diffusion of CH3COOH was either somewhat limited or competed with intermolecular reactions between PMMA and PC and between PMMA and PVAc, which were detected and were associated with their close proximity in the intimately mixed coalesced PC/PMMA/PVAc ternary blend.}, number={1}, journal={POLYMER DEGRADATION AND STABILITY}, author={Uyar, Tamer and Rusa, Cristian C. and Tonelli, Alan E. and Hacaloglu, Jale}, year={2007}, month={Jan}, pages={32–43} }
 @article{vedula_tonelli_2007, title={Reorganization of PET structures and conformations to alter properties}, volume={45}, number={735}, journal={Journal of Polymer Science. Part B, Polymer Physics}, author={Vedula, J. and Tonelli, A. E.}, year={2007} }
 @article{vedula_tonelli_2007, title={Reorganization of poly(ethylene terephthalate) structures and conformations to alter properties}, volume={45}, ISSN={["1099-0488"]}, DOI={10.1002/polb.21098}, abstractNote={Abstract}, number={7}, journal={JOURNAL OF POLYMER SCIENCE PART B-POLYMER PHYSICS}, author={Vedula, Jyotsna and Tonelli, Alan E.}, year={2007}, month={Apr}, pages={735–746} }
 @article{tonelli_hunt_balik_2007, title={The effect of water on the solid-state complexation of oligomers with a?cyclodextrin}, volume={40}, journal={Macromolecules}, author={Tonelli, A. E. and Hunt, M. A. and Balik, C. M.}, year={2007} }
 @article{yang_el-shafei_schilling_tonelli_2007, title={Why is stereoregular polyacrylonitrile obtained by polymerization in urea canals isotactic?}, volume={16}, ISSN={["1521-3919"]}, url={http://www.scopus.com/inward/record.url?eid=2-s2.0-36849034629&partnerID=MN8TOARS}, DOI={10.1002/mats.200700043}, abstractNote={Abstract}, number={9}, journal={MACROMOLECULAR THEORY AND SIMULATIONS}, author={Yang, Hyungchol and El-Shafei, Ahmed and Schilling, Frederic C. and Tonelli, Alan E.}, year={2007}, month={Nov}, pages={797–809} }
 @article{uyar_hunt_gracz_tonelli_2006, title={Crystalline cyclodextrin inclusion compounds formed with aromatic guests: Guest-dependent stoichiometries and hydration-sensitive crystal structures}, volume={6}, ISSN={["1528-7505"]}, DOI={10.1021/cg050500+}, abstractNote={A series of solid inclusion complexes (ICs) containing the aromatic guests aniline, benzene, ethylbenzene, phenol, p-xylene, styrene, and toluene were formed with host γ-cyclodextrin (γ-CD). IC stoichiometry was observed to depend on the nature of the included aromatic guest. The molar ratio of styrene, aniline, and phenol guests to γ-CD host was ∼2:1 in their individual IC crystals, whereas ethylbenzene, p-xylene, and toluene guests formed ∼1:1 inclusion complexes with γ-CD. Thermogravimetric analysis showed that the thermal stabilities of these volatile aromatic guest molecules increased due to guest−host interactions once they were included in their γ-CD-ICs. X-ray diffraction (WAXD) observations performed on the aromatic guest−CD-IC crystals showed that all of them have channel-type crystalline structures. Moreover, it was observed that the presence of guest molecules inside the γ-CD cavities stabilized the channel structure of stacked γ-CDs. However, a solid-phase transition from tetragonal to hexago...}, number={5}, journal={CRYSTAL GROWTH & DESIGN}, author={Uyar, T and Hunt, MA and Gracz, HS and Tonelli, AE}, year={2006}, month={May}, pages={1113–1119} }
 @inbook{tonelli_white_2006, title={NMR spectroscopy of polymers}, ISBN={9780387690025}, DOI={10.1007/978-0-387-69002-5_20}, booktitle={Physical properties of polymers handbook (2nd Ed.)}, publisher={New York: Springer}, author={Tonelli, A.E. and White, J.L.}, year={2006} }
 @article{uyar_gracz_rusa_shin_el-shafei_tonelli_2006, title={Polymerization of styrene in gamma-cyclodextrin channels: Lightly rotaxanated polystyrenes with altered stereosequences}, volume={47}, ISSN={["0032-3861"]}, url={http://www.scopus.com/inward/record.url?eid=2-s2.0-33748531256&partnerID=MN8TOARS}, DOI={10.1016/j.polymer.2006.07.054}, abstractNote={Modeling of polystyrene (PS) with various stereosequences in γ-cyclodextrin (γ-CD) channels has been conducted and it was found that only isotactic PS stereoisomers can fit into the γ-CD cavity. Thus, based on the modeling of stereoisomeric polystyrenes in narrow γ-CD channels, it was suggested that PSs with unusual microstructures might be produced via constrained polymerization of styrene monomer in its γ-CD-IC crystals. The in situ polymerization of styrene inside the narrow channels of its γ-CD-IC crystals suspended in aqueous media was performed. Alternatively, the solid-state polymerization of styrene/γ-CD-IC has also been conducted by exposure to γ-radiation. It was found that most host γ-CD molecules slip off during polymerization and the channel structure was not preserved. Consequently, much of the guest styrene monomer polymerizes outside of the host γ-CD channels, where the constrained environment is absent. Yet, a lightly rotaxanated structure has been obtained, where some threaded γ-CD molecules ∼15 wt% (∼1 γ-CD per 70 PS repeat units) are permanently entrapped along the PS chains after polymerization. 13C NMR spectra of PSs synthesized from styrene/γ-CD-IC and homogeneously in toluene show some differences, which are presumably due to variations in the stereosequences of PSs obtained from the partially constrained polymerization of styrene/γ-CD-IC.}, number={20}, journal={POLYMER}, author={Uyar, Tamer and Gracz, Hanna S. and Rusa, Mariana and Shin, I. Daniel and El-Shafei, Ahmed and Tonelli, Alan E.}, year={2006}, month={Sep}, pages={6948–6955} }
 @article{uyar_aslan_tonelli_hacaloglu_2006, title={Pyrolysis mass spectrometry analysis of poly(vinyl acetate), poly(methyl methacrylate) and their blend coalesced from inclusion compounds formed with gamma-cyclodextrin}, volume={91}, ISSN={["1873-2321"]}, DOI={10.1016/j.polymdegradstab.2005.05.002}, abstractNote={Direct insertion probe pyrolysis mass spectrometry (DIP-MS) analyses of poly(methyl methacrylate) (PMMA), poly(vinyl acetate) (PVAc) and binary PMMA/PVAc guests, coalesced from their inclusion compounds (ICs) formed with host γ-cyclodextrin (γ-CD) through removal of the γ-CD host, have been performed. A slight increase in the thermal stabilities of the coalesced polymers were recorded both by TGA and DIP-MS compared to the corresponding as-received polymers. The DIP-MS observations pointed out that the thermal stability and degradation products of these polymers are affected once they are included inside the IC channels created by the stacked host γ-CDs. DIP-MS observations suggested that the degradation mechanisms for PMMA and PVAc chains in their coalesced blend were significantly altered from those observed in their as-received and solution blended samples. This was attributed to the presence of specific molecular interactions between the intimately mixed PMMA and PVAc chains in their coalesced blend.}, number={1}, journal={POLYMER DEGRADATION AND STABILITY}, author={Uyar, T and Aslan, E and Tonelli, AE and Hacaloglu, J}, year={2006}, month={Jan}, pages={1–11} }
 @article{pang_schmidt_kotek_tonelli_2006, title={Reorganization of the chain packing between poly(ethylene isophthalate) chains via coalescence from their inclusion compound formed with gamma-cyclodextrin}, volume={102}, ISSN={["1097-4628"]}, DOI={10.1002/app.25217}, abstractNote={Abstract}, number={6}, journal={JOURNAL OF APPLIED POLYMER SCIENCE}, author={Pang, Kyeong and Schmidt, Ben and Kotek, Richard and Tonelli, Alan}, year={2006}, month={Dec}, pages={6049–6053} }
 @misc{pang_kotek_tonelli_2006, title={Review of conventional and novel polymerization processes for polyesters}, volume={31}, ISSN={["0079-6700"]}, DOI={10.1016/j.progpolymsci.2006.08.008}, abstractNote={Commercial polyesters have been manufactured via condensation polymerization and contain small quantities of small cyclic molecules along with the much higher molecular weight linear chains. The cyclic oligomers create problems during fiber processing, such as spinning and dyeing. Recently the cyclic oligomers and their ring-opening polymerization have become of interest. The cyclic oligomers can be prepared as major products by using high-dilution methods, polymer-supported techniques, and cyclo-depolymerization. The cyclic oligoesters can then be used as feedstock for their ring-opening polymerization. Ring-opening polymerization has some advantages over the conventional polymerization method. The conventional method produces a small molecule by-product, whose removal requires high temperature and high vacuum. The overall reaction is long, varying from 5 to 10 h. On the other hand, ring-opening polymerization does not produce any by-product and the reaction occurs at atmospheric pressure. Furthermore, the process is very rapid. Polyesters like poly(ethylene terephthalate) and poly(butylene terephthalate) have been increasingly used due to their good physical properties. Among these is their ability to act as a gas barrier, so polyester film is widely used as a packaging material. The characteristics of polyesters depend on their structures, symmetries, and conformational features. Polyesters with collinear attachment of ethylene glycol diesters to the phenyl rings, like PET and PBT, allows for flipping of their phenyl rings. However, the phenyl rings in polyesters with non-collinear attachment of ethylene glycol diesters, like poly(ethylene 2,6-naphthalate) and poly(ethylene isophthalate), cannot be flipped. The flipping of phenyl rings may allow gases to permeate, as the gas molecules may use them much like a trap door or valve, so polyesters with non-collinear ethylene glycol diester linkages have improved gas barrier properties.}, number={11}, journal={PROGRESS IN POLYMER SCIENCE}, author={Pang, K. and Kotek, R. and Tonelli, A.}, year={2006}, month={Nov}, pages={1009–1037} }
 @article{pang_kotek_tonelli_2006, title={Ring-opening polymerization of the cyclic dimer of poly(trimethylene terephthalate)}, volume={44}, ISSN={["0887-624X"]}, DOI={10.1002/pola.21760}, abstractNote={Abstract}, number={23}, journal={JOURNAL OF POLYMER SCIENCE PART A-POLYMER CHEMISTRY}, author={Pang, Kyeong and Kotek, Richard and Tonelli, Alan}, year={2006}, month={Dec}, pages={6801–6809} }
 @article{rusa_rusa_peet_uyar_fox_hunt_wang_balik_tonelli_2006, title={The nano-threading of polymers}, volume={55}, ISSN={["1573-1111"]}, DOI={10.1007/s10847-005-9038-1}, number={1-2}, journal={JOURNAL OF INCLUSION PHENOMENA AND MACROCYCLIC CHEMISTRY}, author={Rusa, C. C. and Rusa, M. and Peet, J. and Uyar, T. and Fox, J. and Hunt, M. A. and Wang, X. and Balik, C. M. and Tonelli, A. E.}, year={2006}, month={Jun}, pages={185–192} }
 @article{tonelli_uyar_el-shafei_hacaloglu_2006, title={The solid channel structure inclusion complex formed between styrene guests and gamma-cyclodextrin hosts}, volume={55}, number={109}, journal={Journal of Inclusion Phenomena and Macrocyclic Chemistry}, author={Tonelli, A. E. and Uyar, T. and El-Shafei, A. and Hacaloglu, J.}, year={2006} }
 @article{uyar_tonelli_hacaloglu_2006, title={Thermal degradation of polycarbonate, poly(vinyl acetate) and their blends}, volume={91}, ISSN={["1873-2321"]}, DOI={10.1016/j.polymdegradstab.2006.08.028}, abstractNote={We have recently developed a novel approach for intimately mixing thermodynamically incompatible polymers, which utilizes the formation of inclusion compounds (ICs) formed with host cyclodextrins (CDs), followed by removal of CD and coalescence of the common guest polymers into a blend. In this paper direct insertion probe pyrolysis mass spectrometry (DIP-MS) analyses of polycarbonate (PC), poly(vinyl acetate) (PVAc) and PC/PVAc blends, obtained by coalescence from their inclusion compounds formed with host γ-CD (coalesced blend) and by co-precipitation (physical blend), have been performed. Variations in the thermal stabilities of the coalesced polymers were recorded both by TGA and DIP-MS and compared to the corresponding as-received polymers. It has been determined that for both coalesced and physical blends of PC/PVAc, CH3COOH formed by deacetylation of PVAc above 300 °C, reacts with PC chains decreasing their thermal stability. This process was more effective for the physical blend, most likely due to enhanced diffusion of CH3COOH, produced by deacetylation of PVAc, into the PC domains, where it can further react producing low molecular weight PC fragments bearing methyl carbonate chain ends.}, number={12}, journal={POLYMER DEGRADATION AND STABILITY}, author={Uyar, Tamer and Tonelli, Alan E. and Hacaloglu, Jale}, year={2006}, month={Dec}, pages={2960–2967} }
 @article{uyar_oguz_tonelli_hacaloglu_2006, title={Thermal degradation processes of poly(carbonate) and poly(methyl methacrylate) in blends coalesced either from their common inclusion compound formed with gamma-cyclodextrin or precipitated from their common solution}, volume={91}, ISSN={["1873-2321"]}, DOI={10.1016/j.polymdegradstab.2006.03.006}, abstractNote={Direct insertion probe pyrolysis mass spectrometry (DIP-MS) analyses of a PC/PMMA blend, coalesced from their common inclusion compound (ICs) formed with host γ-cyclodextrin (γ-CD) through removal of the γ-CD host, and a physical PC/PMMA blend, precipitated from their common solution, have been performed and compared with those of the coalesced and as-received homopolymers. A slight increase in the thermal stability of the PMMA component in the presence of PC was recorded both by TGA and DIP-MS compared to the corresponding homopolymers. The DIP-MS observations pointed out that the thermal stability and degradation products of these polymers are affected once they are included inside the IC channels created by the stacked host CDs. DIP-MS observations suggested that for both coalesced and physical PC/PMMA blends, an exchange reaction occurs between carbonates of PC and MMA, formed by depolymerization of PMMA above 300 °C, most likely due to diffusion of MMA monomer at the interface or even into the PC domains, where it can react producing low molecular weight PC bearing methyl carbonate and methacrylate chain ends. The results also indicated an ester–ester interchange reaction between PC and PMMA yielding a graft copolymer and low molecular weight PC chains bearing methyl carbonate end groups in the case of the coalesced blend. This can be atttributed to the presence of specific molecular interactions between the intimately mixed PMMA and PC chains in the coalesced PC/PMMA blend.}, number={10}, journal={POLYMER DEGRADATION AND STABILITY}, author={Uyar, Tamer and Oguz, Gulcan and Tonelli, Alan E. and Hacaloglu, Jale}, year={2006}, month={Oct}, pages={2471–2481} }
 @article{wang_rusa_hunt_tonelli_macko_pasch_2005, title={Adsorption of polyethylene and polypropylene by zeolites: Inside or outside?}, volume={38}, ISSN={["1520-5835"]}, DOI={10.1021/MA051748a}, abstractNote={ADVERTISEMENT RETURN TO ISSUECommunication to the...Communication to the EditorNEXTAdsorption of Polyethylene and Polypropylene by Zeolites: Inside or Outside?Xingwu Wang, Cristian C. Rusa, Marcus A. Hunt, Alan E. Tonelli, Tibor Macko, and Harald PaschView Author Information Fiber & Polymer Science Program, North Carolina State University, Campus Box 8301, Raleigh, North Carolina 27695-8301, and German Institute for Polymers, Schlossgartenstr. 6, D-64289, Darmstadt, Germany Cite this: Macromolecules 2005, 38, 25, 10341–10345Publication Date (Web):November 8, 2005Publication History Received5 August 2005Revised25 October 2005Published online8 November 2005Published inissue 1 December 2005https://doi.org/10.1021/ma051748aCopyright © 2005 American Chemical SocietyRIGHTS & PERMISSIONSArticle Views412Altmetric-Citations16LEARN ABOUT THESE METRICSArticle Views are the COUNTER-compliant sum of full text article downloads since November 2008 (both PDF and HTML) across all institutions and individuals. These metrics are regularly updated to reflect usage leading up to the last few days.Citations are the number of other articles citing this article, calculated by Crossref and updated daily. Find more information about Crossref citation counts.The Altmetric Attention Score is a quantitative measure of the attention that a research article has received online. Clicking on the donut icon will load a page at altmetric.com with additional details about the score and the social media presence for the given article. Find more information on the Altmetric Attention Score and how the score is calculated. Share Add toView InAdd Full Text with ReferenceAdd Description ExportRISCitationCitation and abstractCitation and referencesMore Options Share onFacebookTwitterWechatLinked InReddit Read OnlinePDF (125 KB) Get e-AlertsSUBJECTS:Chromatography,Differential scanning calorimetry,Polyethylene,Polymers,Zeolites Get e-Alerts}, number={25}, journal={MACROMOLECULES}, author={Wang, XW and Rusa, CC and Hunt, MA and Tonelli, AE and Macko, T and Pasch, H}, year={2005}, month={Dec}, pages={10341–10345} }
 @article{rusa_bridges_ha_tonelli_2005, title={Conformational changes induced in Bombyx mori silk fibroin by cyclodextrin inclusion complexation}, volume={38}, ISSN={["1520-5835"]}, DOI={10.1021/ma050340a}, abstractNote={We have previously demonstrated that the formation of and coalescence from polymer−cyclodextrin (CD) inclusion compounds (ICs) represents a very useful approach to modify the chain conformations and improve the crystallinity of various bulk polymers. The present work deals, for the first time, with the formation of a γ-CD IC with a natural protein as guest, i.e., silk fibroin from Bombyx mori silkworm. Formation of the crystalline inclusion compound was verified by wide-angle X-ray diffraction, solid-state NMR, and infrared spectroscopy to have the host γ-CD molecules arranged in a channel structure, with the isolated silk chains included, at least in large part, in their internal cavities. Removing the γ-CD host lattice by washing with hot water produced a white coalesced silk sample that was collected and characterized. Unlike the original or precipitated silk fibroin, the coalesced sample shows most of its protein residues in a β-sheet conformation with an elevated degree of crystallinity.}, number={13}, journal={MACROMOLECULES}, author={Rusa, CC and Bridges, C and Ha, SW and Tonelli, AE}, year={2005}, month={Jun}, pages={5640–5646} }
 @inbook{pang_kotek_tonelli_2005, title={Conventional and novel polymerizations and physical properties of polyesters}, ISBN={9781594541469}, booktitle={Focus on polymer research}, publisher={New York: Nova Science Publishers}, author={Pang, K. and Kotek, R. and Tonelli, A.E.}, editor={G.E. Zaikov and Monakov, Y. B.Editors}, year={2005} }
 @article{immirzi_tedesco_monaco_tonelli_2005, title={Crystal structure and melting entropy of natural rubber}, volume={38}, ISSN={["1520-5835"]}, DOI={10.1021/ma047935a}, abstractNote={The constant-volume melting entropy of natural rubber (cis-1,4-polyisoprene = c-PIP) is small compared with other linear polymers. With the aim of understanding this behavior a reliable structural ...}, number={4}, journal={MACROMOLECULES}, author={Immirzi, A and Tedesco, C and Monaco, G and Tonelli, AE}, year={2005}, month={Feb}, pages={1223–1231} }
 @article{uyar_rusa_wang_rusa_hacaloglu_tonelli_2005, title={Intimate blending of binary polymer systems from their common cyclodextrin inclusion compounds}, volume={43}, ISSN={["1099-0488"]}, DOI={10.1002/polb.20546}, abstractNote={Abstract}, number={18}, journal={JOURNAL OF POLYMER SCIENCE PART B-POLYMER PHYSICS}, author={Uyar, T and Rusa, CC and Wang, XW and Rusa, M and Hacaloglu, J and Tonelli, AE}, year={2005}, month={Sep}, pages={2578–2593} }
 @article{porbeni_shin_shuai_wang_white_jia_tonelli_2005, title={Morphology and dynamics of the poly(epsilon-caprolactone)-b-poly(L-lactide) diblock copolymer and its inclusion compound with alpha-cyclodextrin: A solid-state C-13 NMR study}, volume={43}, ISSN={["1099-0488"]}, DOI={10.1002/polb.20490}, abstractNote={Abstract}, number={15}, journal={JOURNAL OF POLYMER SCIENCE PART B-POLYMER PHYSICS}, author={Porbeni, FE and Shin, ID and Shuai, XT and Wang, XW and White, JL and Jia, X and Tonelli, AE}, year={2005}, month={Aug}, pages={2086–2096} }
 @article{rusa_wei_bullions_shuai_uyar_tonelli_2005, title={Nanostructuring polymers with cyclodextrins}, volume={16}, ISSN={["1099-1581"]}, DOI={10.1002/pat.566}, abstractNote={Abstract}, number={2-3}, journal={POLYMERS FOR ADVANCED TECHNOLOGIES}, author={Rusa, CC and Wei, M and Bullions, TA and Shuai, XT and Uyar, T and Tonelli, AE}, year={2005}, pages={269–275} }
 @misc{kotek_jung_tonelli_vasanthan_2005, title={Novel methods for obtaining high modulus aliphatic polyamide fibers}, volume={C45}, ISSN={["1532-1797"]}, DOI={10.1081/MC-200067716}, abstractNote={Super high modulus polyethylene fibers can be created by converting high molecular weight flexible PE chains into highly oriented and extended chain conformations. However, unlike polyethylene, aliphatic polyamides have very high cohesive energy and therefore cannot be easily drawn and highly oriented. This review addresses this fundamental problem by analyzing various novel approaches that can be used to suppress hydrogen bonding in these types of polyamides. Plasticization of such polymers with ammonia, iodine, salts, and Lewis acids, as well as dry spinning, wet spinning, and gel spinning, are discussed. Specialized techniques that involve vibrational zone drawing and annealing as well as laser heating zone drawing and annealing are also reviewed. Some of these methods definitely lead to remarkable improvements in initial modulus and other mechanical properties. The development of recombinant spider silk proteins as well progress in spinning these materials is also reported. The advantages and disadvantages of all of these processes are then summarized.}, number={3}, journal={JOURNAL OF MACROMOLECULAR SCIENCE-POLYMER REVIEWS}, author={Kotek, R and Jung, D and Tonelli, AE and Vasanthan, N}, year={2005}, pages={201–230} }
 @article{uyar_rusa_hunt_aslan_hacaloglu_tonelli_2005, title={Reorganization and improvement of bulk polymers by processing with their cyclodextrin inclusion compounds}, volume={46}, ISSN={["1873-2291"]}, DOI={10.1016/j.polymer.2005.04.002}, abstractNote={The formation of polymer-cyclodextrin inclusion compounds of polycarbonate (PC), poly(methylmethacrylate) (PMMA) and poly(vinylacetate) (PVAc) guests with host γ-cyclodextrin (γ-CD) have been successfully achieved. Coalesced bulk polymer samples were obtained by removal of γ-CD from their inclusion compounds (ICs). The chemical and crystalline structures of ICs and coalesced PC, PMMA and PVAc were studied by Fourier transform infrared spectroscopy (FTIR) and wide-angle X-ray diffraction (WAXD). The thermal transitions, thermal stability, and degradation mechanisms of the samples were investigated by differential scanning calorimetry (DSC), thermogravimetric analysis (TGA), and direct insertion probe pyrolysis mass spectrometry (DIP-MS). FTIR findings indicated that the chain conformations of the bulk polymers were altered when they were included inside the CD channels and extended chain conformations were retained when coalesced from their ICs. Significant improvements were observed in the thermal transitions observed for the coalesced polymers, with glass transitions shifted to higher temperatures. The TGA results reveal that the thermal stabilities of coalesced polymers increased slightly compared to the corresponding as-received polymers. The DIP-MS observations indicated that the thermal stability and degradation products of the polymers are affected once the polymers chains are included inside the γ-CD-IC cavities.}, number={13}, journal={POLYMER}, author={Uyar, T and Rusa, CC and Hunt, MA and Aslan, E and Hacaloglu, J and Tonelli, AE}, year={2005}, month={Jun}, pages={4762–4775} }
 @article{peet_rusa_hunt_tonelli_balik_2005, title={Solid-state complexation of poly(ethylene glycol) with alpha-cyclodextrin}, volume={38}, ISSN={["1520-5835"]}, DOI={10.1021/ma048103f}, abstractNote={Low-molecular-weight liquid poly(ethylene glycol) (PEG) spontaneously forms an inclusion compound (IC) when combined with α-cyclodextrin (α-CD) powder at room temperature. This process can be followed with wide-angle X-ray diffraction (WAXD). The WAXD data shows that the α-CD crystals undergo a solid-state crystal−crystal transformation from the cage to the channel crystal structure upon IC formation over a period of about 8 h. The time dependence of the 2θ = 20° α-CD channel structure X-ray peak can be described by a simple first-order kinetic model. The effects of changing the temperature, PEG:α-CD molar ratio, PEG molecular weight, and vacuum-drying the CD have been studied. The barrier opposing the PEG inclusion-induced solid-state transformation of α-CD from the cage to the channel crystal structure appears to be dominated by changes in the packing/interactions of α-CDs, rather than the loss in the conformational entropy experienced by the PEG chains during the inclusion process.}, number={2}, journal={MACROMOLECULES}, author={Peet, J and Rusa, CC and Hunt, MA and Tonelli, AE and Balik, CM}, year={2005}, month={Jan}, pages={537–541} }
 @article{ha_tonelli_hudson_2005, title={Structural studies of Bombyx mori silk fibroin during regeneration from solutions and wet fiber spinning}, volume={6}, ISSN={["1526-4602"]}, DOI={10.1021/bm050010y}, abstractNote={Regenerated silk fibroin materials show properties dependent on the methods used to process them. The molecular structures of B. mori silk fibroin both in solution and in solid states were studied and compared using X-ray diffraction, FTIR, and (13)C NMR spectroscopy. Some portion of fibroin protein molecules dissolved in formic acid already have a beta-sheet structure, whereas those dissolved in TFA have some helical conformation. Moreover, fibroin molecules were spontaneously assembled into an ordered structure as the acidic solvents were removed from the fibroin-acidic solvent systems. This may be responsible for the improved physical properties of regenerated fibroin materials from acidic solvents. Regenerated fibroin materials have shown poor mechanical properties and brittleness compared to their original form. These problems were technically solved by improving the fiber forming process according to a method reported here. The regenerated fibroin fibers showed much better mechanical properties compared to the native silk fiber and their physical and chemical properties were characterized by X-ray diffraction, solid state (13)C NMR spectroscopy, SinTech tensile testing, and SEM.}, number={3}, journal={BIOMACROMOLECULES}, author={Ha, SW and Tonelli, AE and Hudson, SM}, year={2005}, pages={1722–1731} }
 @article{ha_gracz_tonelli_hudson_2005, title={Structural study of irregular amino acid sequences in the heavy chain of Bombyx mori silk fibroin}, volume={6}, ISSN={["1526-4602"]}, DOI={10.1021/bm050294m}, abstractNote={Recently, genetic studies have revealed the entire amino acid sequence of Bombyx mori silk fibroin. It is known from X-ray diffraction studies that the beta-sheet crystalline structure (silk II) of fibroin is composed of hexaamino acid sequences of GAGAGS. However, in the heavy chain of B. mori silk fibroin, there are also present 11 irregular sequences, with about 31 amino acid residues (irregular GT approximately GT sequences). The structure and role of these irregular sequences have remained unknown. One of the most frequently appearing irregular sequences was synthesized and its 3-D solution structure was studied by high-resolution 2-D NMR techniques. The 3-D structure determined for this peptide shows that it makes a loop structure (distorted omega shape), which implies that the preceding backbone direction is changed by 180 degrees, i.e., reversed, by this sequence. This may facilitate the beta-sheet formation between the crystal-forming building blocks, GAGAGS/GY approximately GY sequences, in the fibroin heavy chain.}, number={5}, journal={BIOMACROMOLECULES}, author={Ha, SW and Gracz, HS and Tonelli, AE and Hudson, SM}, year={2005}, pages={2563–2569} }
 @article{hunt_rusa_tonelli_balik_2005, title={Structure and stability of columnar cyclomaltooctaose (gamma-cyclodextrin) hydrate}, volume={340}, ISSN={["1873-426X"]}, DOI={10.1016/j.carres.2005.03.021}, abstractNote={Rapid recrystallization of cyclomaltooctaose (gamma-cyclodextrin, gamma-CD) from aqueous solution resulted in formation of a columnar structure with only water as the guest molecule. Upon vacuum drying at 90 degrees C for 15 h, gamma-CD, which was initially in the columnar structure, became amorphous. Complementary water vapor sorption and wide-angle X-ray diffractometry experiments were performed on columnar gamma-CD in its vacuum dried and as-precipitated states to elucidate its stability in humid environments and the crystal structure present at varying sorption levels. These experiments show that both types of gamma-CD transform to the cage crystal structure upon exposure to water vapor at 40 degrees C and with an activity of 1.0. Sorption equilibrium is reached long before the crystal structure transformation is complete, indicating that a significant amount of molecular mobility exists in the various hydrated gamma-CD crystal structures.}, number={9}, journal={CARBOHYDRATE RESEARCH}, author={Hunt, MA and Rusa, CC and Tonelli, AE and Balik, CM}, year={2005}, month={Jul}, pages={1631–1637} }
 @article{uyar_el-shafei_wang_hacaloglu_tonelli_2005, title={The Solid Channel Structure Inclusion Complex Formed Between Guest Styrene and Host γ-Cyclodextrin}, volume={55}, ISSN={0923-0750 1573-1111}, url={http://dx.doi.org/10.1007/s10847-005-9026-5}, DOI={10.1007/s10847-005-9026-5}, number={1-2}, journal={Journal of Inclusion Phenomena and Macrocyclic Chemistry}, publisher={Springer Science and Business Media LLC}, author={Uyar, Tamer and El-Shafei, Ahmed and Wang, Xingwu and Hacaloglu, Jale and Tonelli, Alan E.}, year={2005}, month={Dec}, pages={109–121} }
 @article{jia_wang_tonelli_white_2005, title={Two-dimensional spin-diffusion NMR reveals differential mixing in biodegradable polymer blends}, volume={38}, ISSN={["1520-5835"]}, DOI={10.1021/ma047838h}, abstractNote={Length scales of mixing in amorphous blends of solid PCL (polycaprolactone) and PLLA (poly-l-lactic acid) were investigated as a function of preparation method. A recently described two-dimensional heteronuclear correlation (Hetcor) spin-diffusion technique (Jia et al. Macromolecules 2003, 36, 712) revealed that PCL/PLLA blends with shorter length scales of mixing, relative to solution blending, could be prepared using inclusion-compound coalescence methods (Rusa et al. Macromolecules 2000, 33, 5321). These biocompatible and biodegradable polymer blends provide a clear example of the utility of the 2D Hetcor spin-diffusion method for quantitative miscibility and phase analysis in amorphous macromolecules and their blends. The rates for intrapolymer polarization transfer vs interchain/interdomain polarization equilibration were easily differentiated using the 2D technique for either blend. As a result, spin-diffusion coefficients and miscibility length scales could be calculated by direct measurement on th...}, number={7}, journal={MACROMOLECULES}, author={Jia, X and Wang, XW and Tonelli, AE and White, JL}, year={2005}, month={Apr}, pages={2775–2780} }
 @article{rusa_uyar_rusa_tonelli_2004, title={A miscible polycarbonate/poly(methyl methacrylate)/poly( vinyl acetate) ternary blend via coalescence from their common gamma-cyclodextrin inclusion compound}, volume={42}, journal={Journal of Polymer Science. Part B, Polymer Physics}, author={Rusa, C. C. and Uyar, T. and Rusa, M. and Tonelli, A. E.}, year={2004} }
 @article{rusa_uyar_rusa_hunt_wang_tonelli_2004, title={An intimate polycarbonate/poly(methyl methacrylate)/poly(vinyl acetate) ternary blend via coalescence from their common inclusion compound with gamma-cyclodextrin}, volume={42}, ISSN={["1099-0488"]}, DOI={10.1002/polb.20273}, abstractNote={Abstract}, number={22}, journal={JOURNAL OF POLYMER SCIENCE PART B-POLYMER PHYSICS}, author={Rusa, CC and Uyar, T and Rusa, M and Hunt, MA and Wang, XW and Tonelli, AE}, year={2004}, month={Nov}, pages={4182–4194} }
 @article{hernandez_rusa_rusa_lopez_mijangos_tonelli_2004, title={Controlling PVA hydrogels with gamma-cyclodextrin}, volume={37}, ISSN={["0024-9297"]}, DOI={10.1021/ma048375i}, abstractNote={We report on the preparation and characterization of poly(vinyl alcohol) (PVA) hydrogels formed during freeze−thaw (F−T) cycles of their aqueous solutions containing γ-cyclodextrin (γ-CD). Crystalline inclusion compound (IC) formation was observed between PVA and γ-CD in these gels at low concentrations of γ-CD (γ-CD:PVA molar ratios < 1:25). Confirmation of the existence of the channel structure for γ-CD was achieved by characterizing the dried PVA/γ-CD hydrogels with solid-state DSC, TGA, WAXD, and 13C NMR. Some aspects regarding the mechanism and structure of PVA gels obtained via F−T cycles in the presence/absence of γ-CD are presented based on UV−vis, swelling, solution 1H NMR, and rheological observations. It was observed that the swelling and rheological responses of the aqueous PVA gels formed during F−T cycles in the presence of γ-CD can be controlled by adjustment of the PVA:γ-CD molar ratio employed during their gelation.}, number={25}, journal={MACROMOLECULES}, author={Hernandez, R and Rusa, M and Rusa, CC and Lopez, D and Mijangos, C and Tonelli, AE}, year={2004}, month={Dec}, pages={9620–9625} }
 @article{rusa_shuai_shin_bullions_wei_porbeni_lu_huang_fox_tonelli_2004, title={Controlling the behaviors of biodegradable/bioabsorbable polymers with cyclodextrins}, volume={12}, ISSN={["1572-8919"]}, DOI={10.1023/B:JOOE.0000038547.36750.78}, number={3}, journal={JOURNAL OF POLYMERS AND THE ENVIRONMENT}, author={Rusa, CC and Shuai, X and Shin, ID and Bullions, TA and Wei, M and Porbeni, FE and Lu, J and Huang, L and Fox, J and Tonelli, AE}, year={2004}, month={Jul}, pages={157–163} }
 @misc{rusa_wei_bullions_rusa_gomez_porbeni_wang_shin_balik_white_et al._2004, title={Controlling the polymorphic behaviors of semicrystalline polymers with cyclodextrins}, volume={4}, ISSN={["1528-7505"]}, DOI={10.1021/cg049821w}, abstractNote={We present a review of our initial studies concerning the control of polymorphism in semicrystalline polymers with cyclodextrins (CDs). CDs are cyclic starch oligomers with six (α-CD), seven (β-CD), and eight (γ-CD) α-1,4-linked glucose units possessing bracelet structures with hydrophobic and hydrophilic interiors and exteriors, respectively. They are able to act as hosts to form noncovalent inclusion compounds (ICs) with a large variety of guest molecules, including a wide range of high molecular weight guest polymers. In polymer-CD-ICs, the CD host crystalline lattice consists of hexagonally packed CD stacks with guest polymers occupying the narrow channels (∼0.5−1.0 nm) extending down the interiors of the stacked CDs. As a consequence, the included guest polymers must adopt highly extended conformations and are segregated from neighboring guest polymer chains. When the host CDs are appropriately removed from polymer-CD-ICs, the included guest polymers are forced to coalesce into a pure polymer solid, ...}, number={6}, journal={CRYSTAL GROWTH & DESIGN}, author={Rusa, CC and Wei, M and Bullions, TA and Rusa, M and Gomez, MA and Porbeni, FE and Wang, XG and Shin, ID and Balik, CM and White, JL and et al.}, year={2004}, pages={1431–1441} }
 @article{tonelli_2004, title={Crystal structure and melting of natural rubber cis-1,4-polyisoprene}, volume={37}, journal={Macromolecules}, author={Tonelli, A.E.}, year={2004} }
 @article{rusa_wang_tonelli_2004, title={Fabrication of inclusion compounds with solid host gamma-cyclodextrins and water-soluble guest polymers: Inclusion of poly(N-acylethylenimine)s in gamma-cyclodextrin channels as monitored by solution H-1 NMR}, volume={37}, ISSN={["1520-5835"]}, DOI={10.1021/ma040081+}, abstractNote={We successfully report the formation of poly(N-acylethylenimine)−γ-cyclodextrin inclusion compounds (PNAI-γ-CD ICs). The PNAI-γ-CD ICs were obtained by three techniques:  (a) the precipitation of γ-CD in the polymer solution and (b) and (c) the suspension of as-received cage structure γ-CD and γ-CDCS, with a preformed channel structure, respectively, in the polymer solutions. The PNAI-γ-CD ICs were characterized by solid-state FTIR, X-ray, NMR, DSC, and TGA observations. A 1H NMR study was performed in order to follow the kinetics of the inclusion process in solution. The time-dependent inclusion of PNAIs with different molecular weights by suspension of either as-received cage structure γ-CD or channel structure γ-CDCS in the PNAI solutions was monitored with 1H NMR. Acetone, a nonsolvent for γ-CD, was used as the solvent for the PNAI solutions. Some aspects regarding the role water plays in the polymer inclusion process are revealed from our temporal observations of the inclusion of PNAI guests into sol...}, number={18}, journal={MACROMOLECULES}, author={Rusa, M and Wang, XW and Tonelli, AE}, year={2004}, month={Sep}, pages={6898–6903} }
 @article{jung_kotek_vasanthan_tonelli_2004, title={High modulus nylon 6,6 fibers through lewis acid-base complexation to control hydrogen bonding to enhance drawing behavior}, volume={91}, journal={Polymeric Materials: Science and Engineering}, author={Jung, D.W. and Kotek, R. and Vasanthan, N. and Tonelli, A.E.}, year={2004}, pages={354} }
 @inproceedings{kotek_jung_tonelli_2004, title={High modulus nylon 66 fibers}, ISBN={9789537105051}, booktitle={Magic world of textiles: book of proceedings, International Textile Clothing & Design Conference, October 3rd to October 6th, 2004, Dubrovnik, Croatia}, publisher={Zagreb: Faculty of Textile Technology, University of Zagreb}, author={Kotek, R. and Jung, D.W. and Tonelli, A.E.}, year={2004} }
 @inproceedings{vasanthan_kotek_jung_shin_salem_tonelli_2004, title={Lewis acid-base complexation of polyamide 66 as a means to control hydrogen bonding to form high strength fibers and films}, volume={45}, number={1}, booktitle={Papers presented at the Anaheim, California meeting : 227th ACS national meeting, Anaheim, CA, March 28 - April 1, 2004}, publisher={Blacksburg, Va.: ACS, Div. of Polymer Chemistry}, author={Vasanthan, N. and Kotek, R. and Jung, D.W. and Shin, D. and Salem, D.R. and Tonelli, A.E.}, year={2004}, pages={787} }
 @article{vasanthan_kotek_jung_shin_tonelli_salem_2004, title={Lewis acid-base complexation of polyamide 66 to control hydrogen bonding, extensibility and crystallinity}, volume={45}, DOI={10.1016/j.polmer.2004.03.074}, number={12}, journal={Polymer}, author={Vasanthan, N. and Kotek, R. and Jung, D. W. and Shin, D. and Tonelli, A. E. and Salem, D. R.}, year={2004}, pages={4077–4085} }
 @article{vasanthan_kotek_jung_shin_tonelli_salem_2004, title={Lewis acid–base complexation of polyamide 66 to control hydrogen bonding, extensibility and crystallinity}, volume={45}, ISSN={0032-3861}, url={http://dx.doi.org/10.1016/j.polymer.2004.03.074}, DOI={10.1016/j.polymer.2004.03.074}, abstractNote={Polyamide 66 (PA66) has been complexed with the Lewis acid GaCl3 for the purpose of disrupting the interchain hydrogen bonded network. FTIR and 13C-NMR observations indicate that Ga metal cations form a 1:1 complex with the carbonyl oxygens of the PA66 amide groups. PA66–GaCl3 films are amorphous and rubbery with a single relaxation, attributable to the glass transition temperature, at ∼−32 °C and a structure that appears by X-ray diffraction to be thermally stable to at least 200 °C. The complexed films could be drawn at room temperature to draw ratios (DR) up to ∼30, and could then be decomplexed, or regenerated, by soaking in water. GaCl3 complexation and subsequent regeneration of PA66 was accomplished without changing its molecular weight, and all but ∼5 mol% of the amide groups in the regenerated PA66 were uncomplexed. The undrawn regenerated films regain levels of crystallinity much lower than possessed by the uncomplexed PA66 reference film. However, up to a DR of 8, drawing prior to regeneration increases the crystallinity, reaching crystallinity levels that are high for PA66, that has not been heat treated, and that are almost twice higher than in the uncomplexed (undrawn) reference film. It is intriguing that, in this DR regime, crystallinity increases quite sharply as the film is extended, despite the fact that molecular orientation does not appear to be increasing. For DR>8, the crystallinity decreases, but remains above that of the reference film. The level of crystallinity in PA66 can be controlled over a much wider range by the complexation-drawing-regeneration process than by conventional drawing processes.}, number={12}, journal={Polymer}, publisher={Elsevier BV}, author={Vasanthan, Nadarajah and Kotek, Richard and Jung, Dong-Wook and Shin, Daniel and Tonelli, Alan E and Salem, David R}, year={2004}, month={May}, pages={4077–4085} }
 @article{rusa_wei_shuai_bullions_wang_rusa_uyar_tonelli_2004, title={Molecular mixing of incompatible polymers through formation of and coalescence from their common crystalline cyclodextrin inclusion compounds}, volume={42}, ISSN={["1099-0488"]}, DOI={10.1002/polb.20272}, abstractNote={Abstract}, number={23}, journal={JOURNAL OF POLYMER SCIENCE PART B-POLYMER PHYSICS}, author={Rusa, CC and Wei, M and Shuai, X and Bullions, TA and Wang, X and Rusa, M and Uyar, T and Tonelli, AE}, year={2004}, month={Dec}, pages={4207–4224} }
 @article{semler_tonelli_beevers_genzer_2004, title={Monomer sequence mediated mobility in random copolymers under confinement}, volume={3}, journal={Nature Materials}, author={Semler, J. J. and Tonelli, A. E. and Beevers, M. and Genzer, J.}, year={2004} }
 @article{rusa_rusa_gomez_shin_fox_tonelli_2004, title={Nanostructuring high molecular weight isotactic polyolefins via processing with gamma-cyclodextrin inclusion compounds. Formation and characterization of polyolefin-gamma-cyclodextrin inclusion compounds}, volume={37}, ISSN={["1520-5835"]}, DOI={10.1021/ma0489164}, abstractNote={The present paper deals with the formation and detailed characterization of the γ-cyclodextrin (γ-CD) inclusion compounds (ICs) formed with two different high molecular weight isotactic polyolefins, i.e., polypropylene (i-PP) and poly(butene-1) (i-PB). Wide-angle X-ray diffraction (WAXD), differential scanning calorimetry (DSC), solid-state 13C NMR, and FT-infrared (FTIR) observations were used to prove the inclusion of the guest polymer chains into the narrow channels provided by the stacks of the doughnut-shape CD molecules. The main aim of polyolefin inclusion into a solid host lattice like γ-CD is to extend and reorganize their conformations, with the hope of improving their commercial properties following their coalescence from their ICs. In the second part of the paper, both coalesced i-PP and i-PB obtained after the host γ-CD is removed reveal different characteristics as compared with the as-received or corresponding control samples.}, number={21}, journal={MACROMOLECULES}, author={Rusa, CC and Rusa, M and Gomez, M and Shin, ID and Fox, JD and Tonelli, AE}, year={2004}, month={Oct}, pages={7992–7999} }
 @article{wei_shin_urban_tonelli_2004, title={Partial miscibility in a nylon-6/nylon-66 blend coalesced from their common alpha-cyclodextrin inclusion complex}, volume={42}, ISSN={["1099-0488"]}, DOI={10.1002/polb.20018}, abstractNote={Abstract}, number={8}, journal={JOURNAL OF POLYMER SCIENCE PART B-POLYMER PHYSICS}, author={Wei, M and Shin, ID and Urban, B and Tonelli, AE}, year={2004}, month={Apr}, pages={1369–1378} }
 @article{uyar_rusa_tonelli_2004, title={Polymerization of styrene in cyclodextrin channels: Can confined free-radical polymerization yield stereoregular polystyrene?}, volume={25}, ISSN={["1521-3927"]}, DOI={10.1002/marc.200400165}, abstractNote={Abstract}, number={15}, journal={MACROMOLECULAR RAPID COMMUNICATIONS}, author={Uyar, T and Rusa, M and Tonelli, AE}, year={2004}, month={Aug}, pages={1382–1386} }
 @article{hunt_jung_shamsheer_uyar_tonelli_2004, title={Polystyrenes in channels}, volume={45}, ISSN={["1873-2291"]}, DOI={10.1016/j.polymer.2003.03.002}, abstractNote={Polystyrenes (PS) with various stereosequences have been modeled in narrow cylindrical channels corresponding to those found in polymer–inclusion compounds (ICs), such as those formed with host cyclodextrins (CDs), where the polymers reside as guests. Isotactic (i) PS is found to fit in channels with narrower diameters (D) than syndiotactic (s) PS, when both adopt conformations permitted by the Yoon, Sundararajan, Flory RIS conformational model of PSs, while atactic (a) PS can be included in channels with D intermediate to those for i- and s-PS. In ICs formed with host γ-CD and guest a-PS homopolymer and guest poly(ϵ-caprolactone) (PCL)-b-a-PS diblock copolymer it was observed that the a-PS homopolymer and the a-PS copolymer blocks were and were not included, respectively. Thus, it appears that a-PS is barely able to be threaded by γ-CD, whose internal diameter is ∼8 Å. Because the channel conformers found for i- and s-PS have smaller and larger diameters, respectively, than those found for a-PS, we would expect i-PS to be complexed by γ-CD, while s-PS might not. As a consequence IC formation with γ-CD may provide a means to physically separate the stereoregular forms of polystyrene. In addition, only the mrm and rmr PS stereoisomers show channel conformations with significant probabilities, so we suggest that in situ polymerization of styrene monomer in the narrow channels of its IC formed with γ-CD might produce a new stereoregular form of PS with regularly alternating m and r diads.}, number={4}, journal={POLYMER}, author={Hunt, MA and Jung, DW and Shamsheer, M and Uyar, T and Tonelli, AE}, year={2004}, month={Feb}, pages={1345–1347} }
 @article{abdala_wu_olesen_jenkins_khan_tonelli_2004, title={Solution rheology of hydrophobically modified associative polymers: Effects of backbone composition and hydrophobe concentration}, volume={48}, ISSN={["1520-8516"]}, DOI={10.1122/1.1773781}, abstractNote={We investigate the effects of polymer molecular structure on the solution rheology of a hydrophobically modified associative polymer comprised of macromonomers with alkyl hydrophobes attached to a poly(ethyl acrylate-co-methacrylic acid) backbone. In particular, the effect of polymer backbone composition with variable proportions of methacrylic acid (MAA) and ethyl acrylate (EA) are examined. We find that the concentration of the MAA monomer has a large impact on polymer viscoelasticity. Polymers with low MAA content have smaller hydrodynamic size that result in lower viscosities and dynamic elastic moduli compared to polymers with high MAA content. Moreover, the balance between the polymer hydrodynamic size, the chain flexibility, and the aggregation of the EA blocks yield maxima in these material functions with respect to the MAA concentration. The scaling of shear viscosity, high frequency elastic modulus, and creep compliance with polymer concentration exhibits power-law behavior with different exponents. In all cases, three power-law regimes, regardless of the MAA content, are observed that can be attributed to the presence of different modes of hydrophobic interaction. However, the transitions shift to lower concentrations as the MAA content increases. With regards to the effects of the macromonomer side-chain concentration, we observe a substantial increase in viscosity at intermediate macromonomer content (1 mol %), possibly due to an increase in the number of intermolecular junctions as the number of hydrophobes per chain increases. This is in contrast to (i) low macromonomer concentration (0.3 mol %) behavior that reveals low viscosity due to weak hydrophobic associations, and (ii) high macromonomer concentration (1.9 mol %) behavior that favors more intramolecular association resulting in lower viscoelastic properties compared to intermediate macromonomer concentrations.We investigate the effects of polymer molecular structure on the solution rheology of a hydrophobically modified associative polymer comprised of macromonomers with alkyl hydrophobes attached to a poly(ethyl acrylate-co-methacrylic acid) backbone. In particular, the effect of polymer backbone composition with variable proportions of methacrylic acid (MAA) and ethyl acrylate (EA) are examined. We find that the concentration of the MAA monomer has a large impact on polymer viscoelasticity. Polymers with low MAA content have smaller hydrodynamic size that result in lower viscosities and dynamic elastic moduli compared to polymers with high MAA content. Moreover, the balance between the polymer hydrodynamic size, the chain flexibility, and the aggregation of the EA blocks yield maxima in these material functions with respect to the MAA concentration. The scaling of shear viscosity, high frequency elastic modulus, and creep compliance with polymer concentration exhibits power-law behavior with different expone...}, number={5}, journal={JOURNAL OF RHEOLOGY}, author={Abdala, A. A. and Wu, W. J. and Olesen, K. R. and Jenkins, R. D. and Khan, Saad and Tonelli, A. E.}, year={2004}, pages={979–994} }
 @article{hunt_rusa_tonelli_balik_2004, title={Structure and stability of columnar cyclomaltohexaose (alpha-cyclodextrin) hydrate}, volume={339}, ISSN={["1873-426X"]}, DOI={10.1016/j.carres.2004.09.012}, abstractNote={Rapid recrystallization of cyclomaltohexaose (α-cyclodextrin, α-CD) from aqueous solution resulted in formation of the columnar crystal structure of α-CD containing only water as the guest molecule. Complementary water vapor sorption and wide-angle X-ray diffractometry (WAXD) experiments were performed on the α-CD columnar structure to elucidate the crystal structure present at varying sorption levels. Equilibrium isothermal water vapor sorption experiments at 40 °C revealed that the α-CD columnar structure is unstable above a water activity of approximately 0.67. This was confirmed by WAXD diffractograms collected over time, which further revealed that α-CD columnar structure undergoes a phase transformation to the cage structure after approximately 0.25 h at 40 °C and a water activity of 1.0.}, number={17}, journal={CARBOHYDRATE RESEARCH}, author={Hunt, MA and Rusa, CC and Tonelli, AE and Balik, CM}, year={2004}, month={Dec}, pages={2805–2810} }
 @article{kotek_pang_schmidt_tonelli_2004, title={Synthesis and gas barrier characterization of poly(ethylene isophthalate)}, volume={42}, ISSN={["0887-6266"]}, DOI={10.1002/polb.20284}, abstractNote={Abstract}, number={23}, journal={JOURNAL OF POLYMER SCIENCE PART B-POLYMER PHYSICS}, author={Kotek, R and Pang, K and Schmidt, B and Tonelli, A}, year={2004}, month={Dec}, pages={4247–4254} }
 @article{topchieva_tonelli_panova_matuchina_kalashnikov_gerasimov_rusa_rusa_hunt_2004, title={Two-phase channel structures based on alpha-cyclodextrin-polyethylene glycol inclusion complexes}, volume={20}, ISSN={["0743-7463"]}, DOI={10.1021/la048970d}, abstractNote={Wide-angle X-ray scattering observations of α-cyclodextrin (CD)−poly(ethylene glycol) (PEG) inclusion complexes (ICs) have shown for the first time that two crystalline columnar modifications (forms I and II) are produced in the process of their formation. This was made possible by precise azimuthal X-ray diffraction scanning of oriented IC samples. Form I is characterized by CDs threaded onto PEG chains and arranged along channels in the order head-to-head/tail-to-tail, while form II is formed by unbound CDs also arranged into columns in a head-to-tail and also possibly a head-to-head/tail-to-tail manner, probably as a result of template crystallization on the form I IC crystals. It was shown that similar structural peculiarities are inherent for channel structures based on ICs obtained with PEG with a wide range of molecular weights (MWs). The characteristic feature of ICs based on PEG, especially with MW > 8000, is the presence of unbound polymer in the composition of the complex. The amount of unbound...}, number={21}, journal={LANGMUIR}, author={Topchieva, IN and Tonelli, AE and Panova, IG and Matuchina, EV and Kalashnikov, FA and Gerasimov, VI and Rusa, CC and Rusa, M and Hunt, MA}, year={2004}, month={Oct}, pages={9036–9043} }
 @article{wei_bullions_rusa_wang_tonelli_2004, title={Unique morphological and thermal behaviors of reorganized poly(ethylene terephthalates)}, volume={42}, ISSN={["1099-0488"]}, DOI={10.1002/polb.10681}, abstractNote={Abstract}, number={3}, journal={JOURNAL OF POLYMER SCIENCE PART B-POLYMER PHYSICS}, author={Wei, M and Bullions, TA and Rusa, CC and Wang, XW and Tonelli, AE}, year={2004}, month={Feb}, pages={386–394} }
 @article{tonelli_2003, title={Balancing teaching and research}, volume={81}, number={6}, journal={Chemical & Engineering News}, author={Tonelli, A.E.}, year={2003} }
 @article{rusa_fox_tonelli_2003, title={Competitive formation of polymer-cyclodextrin inclusion compounds}, volume={36}, ISSN={["1520-5835"]}, DOI={10.1021/ma021755o}, abstractNote={The hydrophobicity of the guest polymer and also the geometrical compatibility between guest polymer cross section and cavity diameter of the host cyclodextrin (CD) play important roles in the formation of inclusion compounds (ICs) between a mixture of one or two guest polymers with one or two different types of CDs, respectively. Specific polymer−CD interactions can be distinguished when, for example, polymer A−CD IC crystals are suspended in a solution containing polymer B, and a polymer B for polymer A exchange occurs, without CD−IC dissolution, during formation of polymer B−CD IC. When using the polymer pair poly(e-caprolactone) (PCL)/poly(l-lactic acid) (PLLA), we have observed that PLLA−α-CD IC is completely converted to PCL−α-CD IC, while the reverse polymer transfer is almost completely prohibited. α-CD host molecules also preferentially included PCL chains from a common PCL/PLLA solution. In addition, observation of the transfer of PCL from PCL−γ-CD IC crystals suspended in a solution containing ...}, number={8}, journal={MACROMOLECULES}, author={Rusa, CC and Fox, J and Tonelli, AE}, year={2003}, month={Apr}, pages={2742–2747} }
 @article{kyles_tonelli_2003, title={Conformational characteristics of poly(D-beta-hydroxybutyrate)}, volume={36}, ISSN={["0024-9297"]}, DOI={10.1021/ma0200827}, abstractNote={We present characteristic ratios of the unperturbed dimensions Cr = 〈r2〉o/n〈l2〉, where 〈r2〉o is the mean-square unperturbed end-to-end distance and n is the number and 〈l2〉 is the mean-square lengt...}, number={4}, journal={MACROMOLECULES}, author={Kyles, RE and Tonelli, AE}, year={2003}, month={Feb}, pages={1125–1131} }
 @article{bullions_edeki_porbeni_wei_shuai_rusa_tonelli_2003, title={Intimate blend of poly(ethylene terephthalate) and poly(ethylene 2,6-naphthalate) via formation with and coalescence from their common inclusion compound with gamma-cyclodextrin}, volume={41}, ISSN={["1099-0488"]}, DOI={10.1002/polb.10366}, abstractNote={Abstract}, number={2}, journal={JOURNAL OF POLYMER SCIENCE PART B-POLYMER PHYSICS}, author={Bullions, TA and Edeki, EM and Porbeni, FE and Wei, M and Shuai, X and Rusa, CC and Tonelli, AE}, year={2003}, month={Jan}, pages={139–148} }
 @article{wei_shuai_tonelli_2003, title={Melting and crystallization behaviors of biodegradable polymers enzymatically coalesced from their cyclodextrin inclusion complexes}, volume={4}, ISSN={["1526-4602"]}, DOI={10.1021/bm034078u}, abstractNote={Inclusion complexed (IC) and coalesced biodegradable poly(epsilon-caprolactone) (PCL), poly(L-lactic acid) (PLLA), and their diblock copolymer (PCL-b-PLLA) were achieved by forming ICs between host alpha-cyclodextrin(alpha-CD) and guest PCL, PLLA, and PCL-b-PLLA, followed by removing the alpha-CD host with an amylase enzyme. FTIR spectra of the coalesced polymers reveal that the host alpha-CD can be completely removed, without polymer degradation, by treatment with an amylase enzyme. The melting and crystallization behavior of these CD-IC treated polymers, which are crystallizable, biodegradable, and bioabsorbable, are investigated by differential scanning calorimetry (DSC) and polarized optical microscopy. Results show that coalescence increased the crystallinities of the homopolymers but decreased that of the diblock copolymer. The Avrami exponent (n), derived from both isothermal and nonisothermal crystallization models for homo-PCL and -PLLA and the PCL and PLLA blocks in the diblock copolymer samples coalesced from their ICs, is close to 4, indicating homogeneous crystallization, whereas crystallization of the blocks in the as-synthesized diblock copolymer yields an Avrami exponent around 3, indicating heterogeneous crystallization. All of these results demonstrate that the PCL and PLLA homopolymers and blocks in the IC-coalesced samples are more readily and homogeneously crystallized than those in the as-synthesized samples or their physical blend, even though the level of crystallinity in the IC-coalesced diblock copolymer is significantly lower. Moreover, unlike the as-synthesized diblock copolymer, the crystallization of PCL and PLLA blocks in the IC-coalesced diblock copolymer are not influenced by their covalent connection.}, number={3}, journal={BIOMACROMOLECULES}, author={Wei, M and Shuai, XT and Tonelli, AE}, year={2003}, pages={783–792} }
 @article{abdala_tonelli_khan_2003, title={Modulation of hydrophobic interactions in associative polymers using inclusion compounds and surfactants}, volume={36}, ISSN={["1520-5835"]}, DOI={10.1021/ma034173v}, abstractNote={We report the modulation of the solution rheology of a comblike, hydrobhobically modified alkali-soluble emulsion (HASE) associative polymer through addition of α- and β-cyclodextrins (CDs). The ring-shaped CDs with hydrophobic inner cores interact with the pendant macromonomer segments of the associative polymer containing hydrophobic end groups, leading to reduction in polymer solution viscosity and dynamic moduli by several orders of magnitude. We find no interactions between the CDs and the polymer backbone as substantiated by the fact that an analogous parent polymer without hydrophobes reveals no changes in the solution rheology in the presence of CDs. In contrast, the CDs encapsulate the hydrophobic groups on the associative polymer. This is confirmed by the complexation between the CD and a surfactant modified to resemble the hydrophobic macromonomer of the associative polymer as observed using 1H NMR, differential scanning calorimetry (DSC), and thermal gravimetric analysis (TGA). The stoichiomet...}, number={20}, journal={MACROMOLECULES}, author={Abdala, AA and Tonelli, AE and Khan, SA}, year={2003}, month={Oct}, pages={7833–7841} }
 @article{lu_mirau_nojima_tonelli_2003, title={NMR studies of the dynamics of homo- and block-copolymer poly(epsilon-caprolactone) chains in their inclusion compounds with alpha- and gamma-CDs}, volume={834}, DOI={10.1021/bk-2003-0834.ch004}, abstractNote={Solid-state NMR with magic-angle spinning has been used to study the structures and dynamics of semicrystalline homo- and copolymers of poly(ε-caprolactone) (PCL) and their inclusion complexes (ICs) formed with alpha and gammacyclodextrins (α- and γ-CDs), which are shown to have channel structures occupied by single and two parallel, side-by-side PCL homopolymer chains, respectively. In the PCL-polystyrene (PCL-PS) and PCL-poly(ethylene oxide)-PCL (PCL-PEO-PCL) di- and triblock copolymer-CD-ICs, only the PCL and both blocks are included in the CD channels, respectively. PCL (guest)-CD (host) magnetization exchange has been observed, but the results differ substantially from those usually evidenced by semicrystalline polymers and their blends. Conventional relaxation experiments [T1(13C), T1ρ(13C), and T1ρ(1H)] and 2D wide line separation NMR with windowless isotropic mixing have been used to monitor the chain dynamics. The results show that the intermolecular interactions in the α-CD-IC channels restrict the dynamics of some PCL carbons more than others, but the PCL chains in both CD complexes are more mobile than in the semicrystalline bulk samples. These results are also compared to the dynamics observed for valeric acid molecules when included in their IC with α-CD, which is also a channel complex structure.}, journal={NMR spectroscopy of polymers in solution and in the solid state}, publisher={Washington, D.C.: American Chemical Society}, author={Lu, J. and Mirau, P. A. and Nojima, S. and Tonelli, A. E.}, editor={H. N. Cheng and English, A. D.Editors}, year={2003}, pages={43–57} }
 @article{tonelli_2003, title={Reorganization of the structures, morphologies, and conformations of polymers by coalescence from their crystalline inclusion compounds formed with cyclodextrins}, volume={203}, ISSN={["1022-1360"]}, DOI={10.1002/masy.200351306}, abstractNote={Abstract}, journal={MACROMOLECULAR SYMPOSIA}, author={Tonelli, AE}, year={2003}, month={Oct}, pages={71–87} }
 @article{tonelli_2003, title={The potential for improving medical textiles with cyclodextrin inclusion compounds}, volume={3}, number={2}, journal={Journal of Textile and Apparel Technology and Management}, author={Tonelli, A.E.}, year={2003}, pages={1} }
 @article{tonelli_2002, title={A professor's duty}, volume={80}, number={44}, journal={Chemical & Engineering News}, author={Tonelli, A.E.}, year={2002} }
 @article{wei_shuai_2002, title={Biodegradable polymers enzymatically coalesced from their cyclodextrin inclusion complexes, I. Melting behavior and isothermal crystallizatioin}, volume={35}, journal={Macromolecules}, author={Wei, M. and Shuai, X.}, year={2002} }
 @article{wei_shuai_2002, title={Biodegradable polymers enzymatically coalesced from their cyclodextrin inclusion complexes. II. Non-isothermal crystallization}, volume={35}, journal={Macromolecules}, author={Wei, M. and Shuai, X.}, year={2002} }
 @misc{lu_mirau_tonelli_2002, title={Chain conformations and dynamics of crystalline polymers as observed in their inclusion compounds by solid-state NMR}, volume={27}, ISSN={["1873-1619"]}, DOI={10.1016/S0079-6700(01)00045-4}, abstractNote={Certain small molecules, such as urea (U), perhydrotriphenylene (PHTP) and cyclodextrins (CDs), can be co-crystallized with polymers to form inclusion compounds (ICs). The guest polymer chains are confined to narrow, cylindrical channels created by the host, small-molecule lattice. The number and conformation of included polymer chains depend on the relative cross-sectional dimensions of polymer chains and the host channel diameter. For the hosts U, PHTP and α-CD (D≈5 Å), only highly extended single chains can be squeezed inside the channel and are separated from neighboring polymer chains by the IC channel walls composed exclusively of the small-molecule lattice. However, for the host γ-CD (D≈8 Å), two side-by-side, parallel extended polymer chains can be incorporated inside the channel, and thus, are also decoupled from all other neighboring chains by the channel walls. Therefore, the unique solid-state environment for polymers residing in IC channels can be utilized as model systems for ordered, bulk polymer phases. Comparison of the behavior of isolated, extended polymer chains in different host environments with the behavior observed for ordered, bulk phases of polymers permits an assessment of contributions made by the inherent, single chain, interactions between adjacent side-by-side pairs of chains and the overall co-operative, interchain interactions to the properties of ordered, bulk polymers. Solid-state NMR spectroscopy is an efficient technique to study the conformations and molecular motions of polymer ICs. This review paper mainly discusses the solid-state NMR study of the conformations and dynamics of a series of crystalline polymers observed in their ICs. In order to facilitate interpretation of the NMR observations, at the beginning of this review, we also discuss the related modeling results obtained by rotational isomeric state modeling and molecular dynamics simulations.}, number={2}, journal={PROGRESS IN POLYMER SCIENCE}, author={Lu, J and Mirau, PA and Tonelli, AE}, year={2002}, month={Mar}, pages={357–401} }
 @article{tonelli_2002, title={Conformational characteristics of poly(ethylene phthalate)s}, volume={40}, ISSN={["0887-6266"]}, DOI={10.1002/polb.10189}, abstractNote={Abstract}, number={12}, journal={JOURNAL OF POLYMER SCIENCE PART B-POLYMER PHYSICS}, author={Tonelli, AE}, year={2002}, month={Jun}, pages={1254–1260} }
 @article{shuai_wei_porbeni_bullions_tonelli_2002, title={Formation of and coalescence from the inclusion complex of a biodegradable block copolymer and alpha-cyclodextrin. 2: A novel way to regulate the biodegradation behavior of biodegradable block copolymers}, volume={3}, ISSN={["1526-4602"]}, DOI={10.1021/bm015609m}, abstractNote={A biodegradable block copolymer (PCL-b-PLLA, M(n) = 1.72 x 10(4), M(w)/M(n) = 1.37) of poly(epsilon-caprolactone) (PCL) and poly(L-lactide) (PLLA) with very low crystallinity was obtained by forming the inclusion complex between alpha-cyclodextrin molecules and PCL-b-PLLA followed by coalescence of the guest polymer chains. Films of the as-synthesized and coalesced copolymer samples, PCL and PLLA homopolymers of approximately the same chain lengths as the corresponding blocks of PCL-b-PLLA, and a physical blend of PCL/PLLA homopolymers with the same molar composition as PCL-b-PLLA were prepared by melt-compression molding between Teflon plates. Subsequently, the in vitro biodegradation behavior of these films was studied in phosphate buffer solution containing lipase from Rhizopus arrhizus, by means of ultraviolet spectra, attenuated total reflectance FTIR spectra, differential scanning calorimetry, wide-angle X-ray diffraction measurements, and weight loss analysis. PCL segments were found to degrade much faster than PLLA segments, both in the pure state and in copolymer or blend samples. Consistent with our expectation, suppression of the phase separation, as well as a decrease of crystallinity, in the coalesced copolymer sample led to a much faster enzymatic degradation than that of either as-synthesized copolymer or the PCL/PLLA physical blend sample, especially during the early stages of biodegradation. Thus the biodegradation behavior of biodegradable block copolymers, which is of decisive importance in drug delivery and controlled release systems, may be regulated by the novel and convenient means recently reported by us.(1)}, number={1}, journal={BIOMACROMOLECULES}, author={Shuai, XT and Wei, M and Porbeni, FE and Bullions, TA and Tonelli, AE}, year={2002}, pages={201–207} }
 @article{shuai_porbeni_wei_bullions_tonelli_2002, title={Formation of inclusion complexes of poly(3-hydroxybutyrate)s with cyclodextrins. 1. Immobilization of atactic poly(R,S-3-hydroxybutyrate) and miscibility enhancement between poly(R,S-3-hydroxybutyrate) and poly(epsilon-caprolactone)}, volume={35}, ISSN={["0024-9297"]}, DOI={10.1021/ma011954s}, abstractNote={Atactic poly(R,S-3-hydroxybutyrate) (a-PHB) was synthesized by anionic polymerization of β-butyrolactone with potassium methoxide as an initiator. This completely amorphous polyester is capable of forming a crystalline inclusion complex (IC) with γ-cyclodextrin (γ-CD) adopting a channel structure. There is no evidence showing that a-PHB may form IC with either α-CD or β-CD. On the basis of these discoveries, a common IC was formed with two polymer chains, a-PHB and poly(e-caprolactone) (PCL), randomly distributed into the channels of γ-CD-PCL/a-PHB IC crystals. Nevertheless, in the formation of the common IC, PCL inclusion appears superior to a-PHB inclusion. Therefore, the molar ratio of a-PHB and PCL in the coalesced sample has been detected to be lower than that used in the formation of the common IC. Washing the common IC with hot water removed the γ-CD, and the molecular chains of the two polymers were coalesced. Very interestingly, only a single glass transition temperature (Tg), dependent on the co...}, number={8}, journal={MACROMOLECULES}, author={Shuai, XT and Porbeni, FE and Wei, M and Bullions, T and Tonelli, AE}, year={2002}, month={Apr}, pages={3126–3132} }
 @article{shuai_porbeni_wei_bullions_tonelli_2002, title={Inclusion complex formation between alpha,gamma-cyclodextrins and a triblock copolymer and the cyclodextrin-type-dependent microphase structures of their coalesced samples}, volume={35}, ISSN={["0024-9297"]}, DOI={10.1021/ma012085+}, abstractNote={A triblock copolymer (PCL−PPG−PCL, Mn = 1.38 × 104) of poly(e-caprolactone) (PCL) and poly(propylene glycol) (PPG) was synthesized by ring-opening polymerization of e-caprolactone. Cyclodextrin (CD)-type-dependent formation of inclusion complexes (ICs) between cyclodextrins and this triblock copolymer was studied. Only PCL blocks were included as guests in the IC formed with α-cyclodextrin (α-CD), while both PCL and PPG blocks were included in the IC formed with γ-cyclodextrin (γ-CD). As a result, the copolymer coalesced from its IC crystals with α-CD showed an increased crystallinity, while to the contrary, the copolymer coalesced from its IC crystals with γ-CD exhibited a decreased crystallinity, when both were compared to the as-synthesized triblock copolymer. Fourier transform infrared (FTIR) spectra, 13C CP/MAS solid-state NMR, differential scanning calorimetry (DSC), thermogravimetric analysis (TGA), and wide-angle X-ray diffraction (WAXD) measurements were employed to study the formation of ICs as ...}, number={6}, journal={MACROMOLECULES}, author={Shuai, XT and Porbeni, FE and Wei, M and Bullions, T and Tonelli, AE}, year={2002}, month={Mar}, pages={2401–2405} }
 @article{rusa_bullions_fox_porbeni_wang_tonelli_2002, title={Inclusion compound formation with a new columnar cyclodextrin host}, volume={18}, ISSN={["0743-7463"]}, DOI={10.1021/la0262452}, abstractNote={α- and γ-cyclodextrin in columnar structures with only water molecules included were successfully obtained by appropriate recrystallization from their aqueous solutions. These crystals were found to adopt a channel-type structure similar to the cyclodextrin inclusion compounds formed with guest polymers. Experimental investigations of their inclusion properties demonstrate that only α-cyclodextrin in the columnar structure (α-CDcs) is able to include both small molecules and polymers. Thermal measurements reveal that columnar structure α-CDcs contains three different types of water molecules. The most strongly held water molecules are located outside of the cyclodextrin cavity, likely hydrogen-bonded between the rims of neighboring cyclodextrins in the columnar α-CD stacks. X-ray analyses confirm that the channel structure is preserved in the dehydrated α-CDcs and its inclusion compounds formed with various guests. In contrast, a completely different behavior was observed for γ-CDcs in the columnar struct...}, number={25}, journal={LANGMUIR}, author={Rusa, CC and Bullions, TA and Fox, J and Porbeni, FE and Wang, XW and Tonelli, AE}, year={2002}, month={Dec}, pages={10016–10023} }
 @article{wei_shuai_2002, title={Large-scale ordered spherulitic morphology of poly(e-caprolactone)-b-poly(l-lactide) diblock copolymers}, volume={23}, journal={Macromolecular Rapid Communications}, author={Wei, M. and Shuai, X.}, year={2002} }
 @article{wei_davis_urban_song_porbeni_wang_white_balik_rusa_fox_et al._2002, title={Manipulation of nylon-6 crystal structures with its alpha-cyclodextrin inclusion complex}, volume={35}, ISSN={["0024-9297"]}, DOI={10.1021/ma020765m}, abstractNote={We successfully formed an inclusion complex between nylon-6 and α-cyclodextrin and attempted to use the formation and subsequent disassociation of the nylon-6/α-cyclodextrin inclusion complex to manipulate the polymorphic crystal structures, crystallinity, and orientation of nylon-6. Formation of the inclusion complex was verified by Fourier transform infrared (FTIR) spectroscopy, wide-angle X-ray diffraction (WAXD), differential scanning calorimetry (DSC), and CP/MAS 13C NMR. After obtaining the inclusion complex of nylon-6 and α-cyclodextrin, the sample was treated in an acid environment to remove the host α-cyclodextrin and coalesce the nylon-6 guest polymer. Examination of as-received and IC coalesced nylon-6 samples showed that the α-form crystalline phase of nylon-6 is the dominant component in the coalesced sample. X-ray diffraction patterns demonstrate that the γ-form is significantly suppressed in the coalesced sample. Along with the change in crystal form, an increase in crystallinity of ∼80% wa...}, number={21}, journal={MACROMOLECULES}, author={Wei, M and Davis, W and Urban, B and Song, YQ and Porbeni, FE and Wang, XW and White, JL and Balik, CM and Rusa, CC and Fox, J and et al.}, year={2002}, month={Oct}, pages={8039–8044} }
 @article{lu_mirau_shin_nojima_tonelli_2002, title={Molecular motions in the supramolecular complexes between poly(epsilon-caprolactone)-poly(ethylene oxide)-poly(epsilon-caprolactone) and alpha- and gamma-cyclodextrins}, volume={203}, ISSN={["1022-1352"]}, DOI={10.1002/1521-3935(20020101)203:1<71::AID-MACP71>3.0.CO;2-D}, abstractNote={The structure and molecular motions of the triblock copolymer PCL-PEO-PCL and its inclusion complexes with α- and γ-cyclodextrins (α- and γ-CDs) have been studied by solid-state NMR. Different cross-polarization dynamics have been observed for the guest polymer and host CDs. Guest-host magnetization exchange has been observed by proton spin lattice relaxation T 1 , proton spin lattice frame relaxation T 1ρ and 2D heteronuclear correlation experiments. A homogeneous phase has been observed for these complexes. Conventional relaxation experiments and 2D wide-line separation NMR with windowless isotropic mixing have been used to measure the chain dynamics. The results show that for localized molecular motion in the megahertz regime, the included PCL block chains are much more mobile than the crystalline PCL blocks in the bulk triblock copolymer. However, the mobility of the included PEO block chains is not very different from the amorphous PEO blocks of the bulk sample. The cooperative, long chain motions in the midkilohertz regime for pairs of PCL-PEO-PCL chains in their γ-CD channels seem more restricted than for the single PCL-PEO-PCL chains in the α-CD channels, however, they are not influencing the more localized, higher frequency megahertz motions.}, number={1}, journal={MACROMOLECULAR CHEMISTRY AND PHYSICS}, author={Lu, J and Mirau, PA and Shin, ID and Nojima, S and Tonelli, AE}, year={2002}, month={Jan}, pages={71–79} }
 @article{tonelli_2002, title={PET versus PEN: what difference can a ring make?}, volume={43}, ISSN={["0032-3861"]}, DOI={10.1016/S1089-3156(00)00028-3}, abstractNote={Poly(ethylene terephthalate) (PET) and poly(ethylene 2,6-naphthalate) (PEN) are structurally related polyesters. In each polymer, the ethylene glycol diesters are separated by rigid rings and are attached to the 1,4-positions of the phenyl and the 2,6-positions of the naphthyl rings in PET and PEN, respectively. Because neighboring ethylene glycol units of each polyester are separated by phenyl or naphthyl rings, their conformations are independent of each other. As a consequence, their RIS conformational models should be identical, with the same populations of trans, gauche +, and gauche− conformations about the –O–CH2–, –CH2–CH2–, and –CH2–O– bonds. This means that PET and PEN are equally flexible as judged by their conformational partition functions. However, because they differ geometrically, properties such as the mean-square end-to-end distance (〈r2〉0) or characteristic ratio (Cr=〈r2〉0/n〈l2〉), though averaged over identical conformations, are not expected to be coincident. The terephthaloyl portion of PET can be considered to consist of the , the –C1⋯C4–, and bonds, which are collinear and only the conformations about the carbonyl carbon to phenyl ring carbon bonds may be altered. This results in the terephthaloyl unit acting as a freely rotating link in both the statistical and dynamic senses. In the naphthaloyl residue, on the other hand, the carbonyl carbon to C2 and C6 to carbonyl carbon bonds are connected to a collinear, non-rotatable virtual bond between C2 and C5 and to the non-collinear, non-rotatable real bond between C5 and C6, respectively. These geometrical differences between PET and PEN result in distinctly different values for properties like 〈r2〉0 and Cr, even though they are averaged over the same conformational populations. Additionally, volumes occupied by their segments when confined to extended conformations and interconversions between these extended conformers were found to be particularly sensitive to the geometrical distinctions between PET and PEN and several differences in their physical properties are discussed in this context.}, number={2}, journal={POLYMER}, author={Tonelli, AE}, year={2002}, month={Jan}, pages={637–642} }
 @article{bullions_wei_porbeni_gerber_peet_balik_white_tonelli_2002, title={Reorganization of the structures, morphologies, and conformations of bulk polymers via coalescence from polymer-cyclodextrin inclusion compounds}, volume={40}, ISSN={["1099-0488"]}, DOI={10.1002/polb.10152}, abstractNote={Abstract}, number={10}, journal={JOURNAL OF POLYMER SCIENCE PART B-POLYMER PHYSICS}, author={Bullions, TA and Wei, M and Porbeni, FE and Gerber, MJ and Peet, J and Balik, M and White, JL and Tonelli, AE}, year={2002}, month={May}, pages={992–1012} }
 @article{shuai_probeni_wei_bullions_tonelli_2002, title={Stereoselectivity in the formation of crystalline inclusion complexes of poly(3-hydroxybutyrate)s with cyclodextrins}, volume={35}, ISSN={["0024-9297"]}, DOI={10.1021/ma012038h}, abstractNote={ADVERTISEMENT RETURN TO ISSUEPREVNoteNEXTStereoselectivity in the Formation of Crystalline Inclusion Complexes of Poly(3-hydroxybutyrate)s with CyclodextrinsXintao Shuai, Francis E. Porbeni, Min Wei, Todd Bullions, and Alan E. TonelliView Author Information Fiber and Polymer Science Program, College of Textiles, North Carolina State University, Raleigh, North Carolina 27695-8301 Cite this: Macromolecules 2002, 35, 9, 3778–3780Publication Date (Web):March 26, 2002Publication History Received21 November 2001Revised15 February 2002Published online26 March 2002Published inissue 1 April 2002https://doi.org/10.1021/ma012038hCopyright © 2002 American Chemical SocietyRIGHTS & PERMISSIONSArticle Views395Altmetric-Citations60LEARN ABOUT THESE METRICSArticle Views are the COUNTER-compliant sum of full text article downloads since November 2008 (both PDF and HTML) across all institutions and individuals. These metrics are regularly updated to reflect usage leading up to the last few days.Citations are the number of other articles citing this article, calculated by Crossref and updated daily. Find more information about Crossref citation counts.The Altmetric Attention Score is a quantitative measure of the attention that a research article has received online. Clicking on the donut icon will load a page at altmetric.com with additional details about the score and the social media presence for the given article. Find more information on the Altmetric Attention Score and how the score is calculated. Share Add toView InAdd Full Text with ReferenceAdd Description ExportRISCitationCitation and abstractCitation and referencesMore Options Share onFacebookTwitterWechatLinked InReddit Read OnlinePDF (42 KB) Get e-AlertsSUBJECTS:Cadmium sulfide,Cavities,Conformation,Physical and chemical processes,Polymers Get e-Alerts}, number={9}, journal={MACROMOLECULES}, author={Shuai, XT and Probeni, FE and Wei, M and Bullions, T and Tonelli, AE}, year={2002}, month={Apr}, pages={3778–3780} }
 @article{rusa_luca_tonelli_rusa_2002, title={Structural investigations of the poly(epsilon-caprolactam)-urea inclusion compound}, volume={43}, ISSN={["0032-3861"]}, DOI={10.1016/S0032-3861(02)00225-2}, abstractNote={An interesting inclusion compound (IC) between guest poly(ε-caprolactam) (PεCL) and host urea was successfully obtained, for the first time, by co-crystallization from their common solution. X-ray diffraction, infrared spectroscopy and differential scanning calorimetry have been utilized for a detailed structural investigation of PεCL–urea IC (U IC) crystals. The results were compared with those obtained for well-known structures of the hexagonal polyethylene–U IC, the trigonal polyethylene oxide–U IC and the ‘large tetragonal’ poly(propylene)–U IC. The structure of PεCL–U IC reconfirms that the urea host molecules may crystallize, even in the presence of a rather slim polymer guest, into an IC with a lattice channel diameter of more than 5.25 Å.}, number={14}, journal={POLYMER}, author={Rusa, CC and Luca, C and Tonelli, AE and Rusa, M}, year={2002}, month={Jun}, pages={3969–3972} }
 @article{park_rene_srinivasarao_doucet_russo_2002, title={Study of dye diffusion in nylon 66 fibers: Fluorescence recovery after photobleaching}, volume={35}, journal={Macromolecules}, author={Park, J. O. and Rene, C. R. and Srinivasarao, M. and Doucet, G. and Russo, P.}, year={2002} }
 @article{tonelli_2002, title={The conformations of poly(butylene-terephthalate) and poly(butylene-2,6-naphthalate) chains in their alpha and beta crystalline polymorphs}, volume={43}, ISSN={["0032-3861"]}, DOI={10.1016/S0032-3861(02)00506-2}, abstractNote={Abstract Both thermoplastic polyesters, poly(butylene-terephthalate) (PBT) and poly(butylene-2,6-naphthalate) (PBN), have been observed to undergo solid–solid phase transitions between α and β crystalline polymorphs. Fiber repeat distances determined by X-ray diffraction in the β polymorphs of PBT and PBN are larger than those observed in their α polymorphs. This has generally been attributed to an extension of the butylene glycol portion of both polyesters, where the O–CH 2 –↷ ϕ –CH 2 –CH 2 and (CO)–O–↷ ψ –CH 2 –CH 2 bonds are transformed from ϕ = G to S and ψ = G to T or S to T conformations, respectively, when PBT or PBN transform from their α to their β polymorphs. However, this interpretation is not consistent with solid-state 13 C NMR observations made on the α and β crystalline forms of PBT and PBN. In both instances, only very small differences (0.4–0.8 ppm) in the resonance frequencies of the butylene carbon resonances are observed between the 13 C NMR spectra recorded for both polymorphs. Similar small differences in the aromatic carbon resonance frequencies are observed between their α and β polymorphs. Thus, we conclude that the extension of both PBT and PBN chains, as they are transformed from their α to their β crystalline polymorphs, is more likely a consequence of an increase in the coplanarity of their ester groups and their phenyl or naphthyl rings, rather than conformational extensions of their butylene glycol fragments. A search for PBT and PBN conformations, both of which match the fiber repeat distances observed for their α and β crystalline polymorphs and are consistent with the closely similar 13 C chemical shifts observed in both of their crystalline phases, lends further support to this suggestion.}, number={22}, journal={POLYMER}, author={Tonelli, AE}, year={2002}, month={Oct}, pages={6069–6072} }
 @article{wei_ivey_tonelli_2002, title={What is the source of the microstructural dependence of resonance frequencies observed in the solution NMR of polymers whose local structures and conformations appear to be independent of their longer range microstructures?}, volume={35}, ISSN={["0024-9297"]}, DOI={10.1021/ma011616r}, abstractNote={ADVERTISEMENT RETURN TO ISSUEPREVNoteNEXTWhat Is the Source of the Microstructural Dependence of Resonance Frequencies Observed in the Solution NMR of Polymers Whose Local Structures and Conformations Appear To Be Independent of Their Longer Range Microstructures?Min Wei, Darlene T. Ivey, and Alan E. TonelliView Author Information Fiber & Polymer Science Program, North Carolina State University, Campus Box 8301, Raleigh, North Carolina 27695-8301 Cite this: Macromolecules 2002, 35, 5, 1976–1979Publication Date (Web):January 26, 2002Publication History Received10 September 2001Published online26 January 2002Published inissue 1 February 2002https://doi.org/10.1021/ma011616rCopyright © 2002 American Chemical SocietyRequest reuse permissions Article Views187Altmetric-Citations3LEARN ABOUT THESE METRICSArticle Views are the COUNTER-compliant sum of full text article downloads since November 2008 (both PDF and HTML) across all institutions and individuals. These metrics are regularly updated to reflect usage leading up to the last few days.Citations are the number of other articles citing this article, calculated by Crossref and updated daily. Find more information about Crossref citation counts.The Altmetric Attention Score is a quantitative measure of the attention that a research article has received online. Clicking on the donut icon will load a page at altmetric.com with additional details about the score and the social media presence for the given article. Find more information on the Altmetric Attention Score and how the score is calculated. Share Add toView InAdd Full Text with ReferenceAdd Description ExportRISCitationCitation and abstractCitation and referencesMore Options Share onFacebookTwitterWechatLinked InReddit Read OnlinePDF (52 KB) Get e-AlertscloseSUBJECTS:Biopolymers,Conformation,Organic polymers,Plastics,Resonance structures Get e-Alerts}, number={5}, journal={MACROMOLECULES}, author={Wei, M and Ivey, DT and Tonelli, AE}, year={2002}, month={Feb}, pages={1976–1979} }
 @article{london-brown_hudson_tonelli_vigo_edwards_gupta_2001, title={A hybrid bioabsorbable wound dressing}, volume={792}, journal={ACS Symposium Series}, author={London-Brown, A. and Hudson, S. M. and Tonelli, A. and Vigo, T. and Edwards, R. and Gupta, B. S.}, year={2001} }
 @article{wei_tonelli_2001, title={Compatiblization of polymers via coalescence from their common cyclodextrin inclusion compounds}, volume={34}, ISSN={["0024-9297"]}, DOI={10.1021/ma010235a}, abstractNote={We have found, when inherently immiscible polymers are included as guests in the narrow channels of their common inclusion compounds (ICs) formed with host cyclodextrins (CDs) and then these polymer-1/polymer-2-CD-IC crystals are washed with hot water to remove the host CD lattice and coalesce the guest polymers, that intimately mixed blends of the polymers are obtained. This behavior had been observed previously by us for the crystallizable poly(e-caprolactone) (PCL)/poly(l-lactic acid) (PLLA) pair, where in the coaelsced blend PCL and PLLA crystallinity was completely and nearly completely suppressed, respectively. Here we report similar observations made on the polycarbonate (PC)/poly(methyl methacrylate) (PMMA) pair, which are respectively difficult to crystallize and amorphous. PC/PMMA blends coalesced from their common γ-CD-ICs are amorphous and generally exhibit single glass transitions at temperatures (Tg) between those of pure PC and PMMA. Interestingly, a 1:4 molar PC:PMMA blend coalesced from i...}, number={12}, journal={MACROMOLECULES}, author={Wei, M and Tonelli, AE}, year={2001}, month={Jun}, pages={4061–4065} }
 @article{huang_gerber_taylor_lu_tapaszi_wutkowski_hill_lewis_harvey_herndon_et al._2001, title={Creation of novel polymer materials by processing with inclusion compounds}, volume={176}, ISSN={["1022-1360"]}, DOI={10.1002/1521-3900(200112)176:1<129::AID-MASY129>3.0.CO;2-M}, abstractNote={The processing of polymer materials from their inclusion compounds (ICs) formed with urea (U) and cyclodextrin (CD) hosts is described. Several examples are presented and serve to demonstrate the fabrication of unique polymer-polymer composites and blends, including intimate blends of normally incompatible polymers, and the delivery of additives to polymers by means of embedding polymer- or additive-U and CD- ICs into carrier polymer films and fibers, followed by coalescence of the IC guest, or by coalescence of two polymers or a polymer and an additive from their common CD-IC crystals.}, journal={MACROMOLECULAR SYMPOSIA}, author={Huang, L and Gerber, M and Taylor, H and Lu, J and Tapaszi, E and Wutkowski, M and Hill, M and Lewis, C and Harvey, A and Herndon, A and et al.}, year={2001}, month={Nov}, pages={129–144} }
 @article{huang_gerber_taylor_lu_tapaszi_wutkowski_hill_funahlee_harvey_rusa_et al._2001, title={Creation of polymer films with novel structures and properties by processing with inclusion compounds}, volume={790}, DOI={10.1021/bk-2001-0790.ch014}, abstractNote={We have begun to fabricate polymer films whose compositions, structures, and properties may be developed and controlled during their formation with inclusion compounds (ICs). ICs formed with either urea(U) or cyclodextrin(CD) hosts and containing guest polymers or small-molecule additives are embedded into carrier polymer films either by solution casting or melt pressing methods. Once embedded, the IC crystals are left undisturbed or are disrupted by solvent treatment, which removes the host (U or CD), but not the carrier polymer nor the coalesced IC-guest. In this manner polymer-polymer composite and additive-filled films have been fabricated. Employment of polymer-U or CD-ICs produces composite films containing two different polymers or two populations of the same polymer. In the latter case, the morphologies of the carrier and IC-coalesced chains may differ, because of chain-folded and chain-extended crystallization, respectively. We may, for example, control film permeabilities by either controlling the compositions or the morphologies of}, journal={ACS Symposium Series}, author={Huang, L. and Gerber, M. and Taylor, H. and Lu, J. and Tapaszi, E. and Wutkowski, M. and Hill, M. and Funahlee, F. N. and Harvey, A. and Rusa, C. C. and et al.}, year={2001} }
 @article{lu_mirau_tonelli_2001, title={Dynamics of isolated polycaprolactone chains in their inclusion complexes with cyclodextrins}, volume={34}, ISSN={["0024-9297"]}, DOI={10.1021/ma001820z}, abstractNote={Solid-state carbon NMR with magic-angle spinning has been used to study the structure and dynamics of semicrystalline polycaprolactone (PCL) and its inclusion complexes formed with α- and γ-cyclodextrins (α- and γ-CDs), which are shown to have channel structures occupied by single and two parallel, side-by-side chains, respectively. Guest−host magnetization exchange has been observed, but the results differ substantially from those observed in semicrystalline polymers and blends. The conventional relaxation experiments and 2D wide-line separation NMR with windowless isotropic mixing have been used to measure the chain dynamics. The results suggest that the intermolecular interactions restrict the dynamics of some atoms more than others, but that the chains in the complex are more mobile than in semicrystalline PCL. These results are compared with the inclusion compound formed between the model compound valeric acid and α-CD that is also a channel complex structure.}, number={10}, journal={MACROMOLECULES}, author={Lu, J and Mirau, PA and Tonelli, AE}, year={2001}, month={May}, pages={3276–3284} }
 @article{porbeni_edeki_shin_tonelli_2001, title={Formation and characterization of the inclusion complexes between poly(dimethylsiloxane) and polyacrylonitrile with gamma-cyclodextrin}, volume={42}, ISSN={["1873-2291"]}, DOI={10.1016/S0032-3861(01)00181-1}, abstractNote={Poly(dimethylsiloxane) and polyacrylonitrile have been observed to form inclusion complexes (ICs) with γ-cyclodextrin. These complexes were prepared by a solution-heating technique. Their structural features were observed with the use of: FTIR, TGA, WAXS, and 13C-NMR. FTIR identifies absorption peaks of the guest polymer molecules in the cyclodextrin. Thermal decomposition shows that the ICs have a higher thermal stability than the pure γ-cyclodextrin. The wide angle X-ray diffraction of the complexes indicates that the ICs form channel structures. CP-MAS 13C-NMR spectra of the ICs show that γ-cyclodextrin, in the presence of a polymer guest, adopts a more symmetric conformation when compared to its pure state.}, number={16}, journal={POLYMER}, author={Porbeni, FE and Edeki, EM and Shin, ID and Tonelli, AE}, year={2001}, month={Jul}, pages={6907–6912} }
 @article{huang_gerber_lu_tonelli_2001, title={Formation of a flame retardant-cyclodextrin inclusion compound and its application as a flame retardant for poly(ethylene terephthalate)}, volume={71}, ISSN={["0141-3910"]}, DOI={10.1016/s0141-3910(00)00175-0}, abstractNote={We report the formation of an inclusion compound (IC) between a commercial flame retardant (FR) and beta-cyclodextrin (CD). The FR-CD-IC was melt-processed into PET films which were tested for flammability. The flammabilities of pure PET films, PET films containing pure CD, and PET films containing FR applied from a bath and then oven-cured, were also observed. Flammabilities, as measured using a modified AATCC Test Method 34, demonstrated that all but the PET films embedded with FR-CD-IC were either completely or substantially consumed when ignited on a single edge with a 3.8 cm flame applied for 3 s. To our knowledge this is the first demonstration of flame retardance achieved by means of delivering a FR to a polymer in the form of its inclusion compound. The high temperature stability of the FR-CD-IC crystals make them suitable for embedding in a variety of polymers that melt below 300°C. Our results suggest that incorporation of FR-CD-IC directly into polymer films or fibers during their melt-processing may be a means to protect them from burning that is superior to post-fabrication application of FRs. In addition, liquid FRs, which are difficult to incorporate and retain in solid polymers, may be included in their high-melting ICs formed with CDs and embedded directly into polymer samples. More broadly, we would expect that a host of other polymer additives may be more effectively delivered in the form of their CD-ICs.}, number={2}, journal={POLYMER DEGRADATION AND STABILITY}, author={Huang, L and Gerber, M and Lu, J and Tonelli, AE}, year={2001}, pages={279–284} }
 @article{shuai_porbeni_wei_shin_tonelli_2001, title={Formation of and coalescence from the inclusion complex of a biodegradable block copolymer and alpha-cyclodextrin: A novel means to modify the phase structure of biodegradable block copolymers}, volume={34}, ISSN={["1520-5835"]}, DOI={10.1021/ma0109626}, abstractNote={A well-defined biodegradable block copolymer (PCL-b-PLLA, Mn = 1.72 × 104, Mw/Mn = 1.37) of poly(e-caprolactone) (PCL) and poly(l-lactide) (PLLA) was synthesized by a two-step ring-opening polymerization of e-caprolactone and l-lactide. Furthermore, we found that α-cyclodextrin (α-CD) molecules may simultaneously thread onto both PLLA and PCL blocks of PCL-b-PLLA to form an inclusion complex (IC). Washing the copolymer−α-CD IC with hot water removed the α-CD, and the copolymer chains were coalesced. Very interestingly, the coalesced copolymer sample shows a great suppression in microphase separation, compared with the as-synthesized copolymer. In contrast to the significant decrease in crystallinity of ca. 50% and up to 79% for PCL and PLLA blocks, respectively, the melting points (Tm's) and the cold crystallization temperatures (Tcc's) of both PCL and PLLA blocks of the coalesced sample increased in DSC measurements. These results may imply that only small amounts of more extended crystals, with less cha...}, number={21}, journal={MACROMOLECULES}, author={Shuai, XT and Porbeni, FE and Wei, M and Shin, ID and Tonelli, AE}, year={2001}, month={Oct}, pages={7355–7361} }
 @article{lu_hill_hood_greeson_horton_orndorff_herndon_tonelli_2001, title={Formation of antibiotic, biodegradable polymers by processing with Irgasan DP300R (Triclosan) and its inclusion compound with beta-cyclodextrin}, volume={82}, DOI={10.1002/app.1852.abs}, abstractNote={The inclusion compound (IC) between the FDA-approved antibacterial Irgasan DP300 (Trichlosan), and β-cyclodextrin (CD) has been formed. When the Irgasan–β-CD–IC is embedded in biodegradeable/bioabsorbable films of poly(ϵ-caprolactone) (PCL) at low levels (a few wt %), they are rendered resistant to the growth of E. coli bacteria. When these same PCL films embedded with Irgasan–β-CD–IC are used as the adhesive for laminating cotton fabrics, we observe the resulting cotton laminates to also be resistant to the growth of E. coli bacteria. These results hold promise for the fabrication of bacteria-resistant polymer films and fibers, as well as antibacterial fabrics, by means of simple melt processing with Irgasan–β-CD–IC. © 2001 John Wiley & Sons, Inc. J Appl Polym Sci 82: 300–309, 2001}, number={2}, journal={Journal of Applied Polymer Science}, author={Lu, J. and Hill, M. A. and Hood, M. and Greeson, D. F. and Horton, J. R. and Orndorff, P. E. and Herndon, A. S. and Tonelli, A. E.}, year={2001}, pages={300–309} }
 @article{rusa_luca_tonelli_2001, title={Polymer-cyclodextrin inclusion compounds: Toward new aspects of their inclusion mechanism}, volume={34}, ISSN={["0024-9297"]}, DOI={10.1021/ma001868c}, abstractNote={α-Cyclodextrin inclusion compounds were prepared in the presence of a polymer and a small molecule model for the polymer repeat unit. By means of this technique, we are able to demonstrate that α-cyclodextrin prefers the inclusion of the longer molecular chain guest. Comparison of the cyclodextrin inclusion compounds formed with poly(e-caprolactone) and hexanoic acid, separately and from solution containing both poly(e-caprolactone) and hexanoic acid in varying amounts, enables us to draw certain conclusions concerning both the thermodynamic and kinetic aspects of poly(e-caprolactone)−α-cyclodextrin inclusion compound formation. Differential scanning calorimetry, Fourier transform infrared, and wide-angle X-ray diffraction have been used to verify the formation and successfully characterize all inclusion compounds.}, number={5}, journal={MACROMOLECULES}, author={Rusa, CC and Luca, C and Tonelli, AE}, year={2001}, month={Feb}, pages={1318–1322} }
 @book{tonelli_srinivasarao_2001, title={Polymers from the inside out: An introduction to macromolecules}, ISBN={0471381381}, DOI={10.5860/choice.39-1583}, abstractNote={Preface. Acknowledgments. Chapter Summary. Introduction. Step-Growth Polymerization. Chain-Growth Polymerization. The Microstructures of Polymers. The Conformational Characteristics of Polymers. Solution Properties of Polymers. Bulk Properties of Polymers. Naturally Occurring Biopolymers. Index.}, publisher={New York: Wiley-Interscience}, author={Tonelli, A. and Srinivasarao, M.}, year={2001} }
 @article{smith_khandelwal_lamb_2000, title={Ar/N2O remote plasma-assisted oxidation of Si(100): Plasma chemistry, growth kinetics, and interfacial reactions}, volume={18}, ISSN={["1071-1023"]}, DOI={10.1116/1.591467}, abstractNote={The kinetics of Ar/N2O remote plasma-assisted oxidation of Si(100) and the mechanism of nitrogen incorporation at the Si–SiO2 interface were investigated using mass spectrometry, optical emission spectroscopy, and on-line Auger electron spectroscopy. N2, O2, and NO are the stable products of N2O dissociation in the plasma. The maximum NO partial pressure occurs at 10 W applied rf power; N2 and O2 are the predominant products for applied powers greater than 50 W. Ar/N2O remote plasmas are prolific sources of atomic O; in contrast, atomic N is not produced in significant concentrations. Ar/N2O remote plasma-assisted oxidation was investigated at 300 °C for applied rf powers of 5, 20, and 50 W. The oxide growth kinetics are slower than expected for a purely diffusionally controlled process. A diffusion-reaction model that incorporates first-order loss of the oxidizing species as it diffuses through the growing oxide layer fits the data very well. The initial oxidation rate increases linearly with plasma density, suggesting that the near-surface concentration of oxidizing species scales with the surface flux of plasma electrons. Nitrogen is incorporated at the Si–SiO2 interface in direct proportion to the N2 partial pressure in the Ar/N2O remote plasma. Molecular NO does not react at the Si–SiO2 interface at 300 °C, its role in Si thermal oxynitridation notwithstanding. Nitrogen incorporation at the Si–SiO2 interface was also achieved by exposure of ultrathin Ar/O2 plasma oxides to a remote 20 W Ar/N2 plasma.}, number={3}, journal={JOURNAL OF VACUUM SCIENCE & TECHNOLOGY B}, author={Smith, BC and Khandelwal, A and Lamb, HH}, year={2000}, pages={1757–1763} }
 @article{lu_shin_nojima_tonelli_2000, title={Formation and characterization of the inclusion compounds between poly(epsilon-caprolactone)-poly(ethylene oxide)-poly(epsilon-caprolactone) triblock copolymer and alpha- and gamma-cyclodextrin}, volume={41}, ISSN={["0032-3861"]}, DOI={10.1016/S0032-3861(99)00773-9}, abstractNote={We report the formation of crystalline inclusion compounds (ICs) between poly(ε-caprolactone)-poly(ethylene oxide)-poly(ε-caprolactone) triblock copolymer guest and the small-molecule hosts α-cyclodextrin (α-CD), and γ-cyclodextrin (γ-CD). The triblock copolymer-CDs-ICs are formed by cocrystallization from saturated solutions of CDs, and each of them was observed with TGA, DSC, X-ray diffraction, and FTIR and 13C NMR spectroscopes. It was found that the ICs have higher temperature stability than the pure CDs. The absence of a melting peak for the crystalline PCL blocks in the heating scan of triblock-CDs-ICs indicates that there is no free crystalline block copolymer. The X-ray powder diffraction patterns of triblock-αCD-IC and triblock-γCD-IC were similar to that of valeric acid-αCD-IC and 1-propanol-γCD-IC, which were confirmed to be a channel crystal structures by single crystal X-ray diffraction. In FTIR studies, new bands appeared at 1737 cm−1 for triblock-αCD-IC and 1730 cm−1 for triblock-γCD-IC compared with the pure cyclodextrins, which confirms the formation of IC. CP/MAS/DD 13C NMR spectra of triblock-CDs-ICs indicate that CDs adopt a more symmetrical conformation in the triblock-CDs-ICs, while pure CDs assume a less symmetrical conformation in the crystal when they do not include a guest block copolymer inside their cavities. One pulse 13C NMR spectra were observed to confirm that crystalline triblock-CDs-ICs have channel structures, with CDs forming the crystal frame of the inclusion compound.}, number={15}, journal={POLYMER}, author={Lu, J and Shin, ID and Nojima, S and Tonelli, AE}, year={2000}, month={Jul}, pages={5871–5883} }
 @article{song_srinivasarao_mcgregor_2000, title={Laser scanning confocal microscope measurement of dye diffusion coefficients in fibers}, volume={33}, journal={Macromolecules}, author={Song, Y. and Srinivasarao, M. and McGregor, R.}, year={2000}, pages={4478} }
 @article{song_srinivasarao_tonelli_balik_mcgregor_2000, title={Laser scanning confocal microscopy study of dye diffusion in fibers}, volume={33}, ISSN={["1520-5835"]}, DOI={10.1021/ma991584w}, abstractNote={The diffusion of fluorescein into nylon-66 fibers has been studied for the first time by laser scanning confocal microscopy (LSCM). LSCM makes it possible to noninvasively obtain high-resolution three-dimensional images of the spatial distribution of dyes (fluorescein) in fibers dyed for various length of times. Integration over the dye distribution yields the total amount of dye in the fiber, which is found to be in close agreement with that determined by UV−vis spectrophotometry after dissolving the fibers. Thus, the diffusion coefficients determined noninvasively by LSCM ((6.9 ± 1.0) × 10-11 cm2/s) and the destructive traditional means ((7.8 ± 1.9) × 10-11 cm2/s) also agree. The LSCM method has several significant advantages. Among these are its speed, nondestructive nature, and the ability not only to determine the total dye content of the fiber but also to image the dye distribution profile across the fiber diameter. This latter ability is demonstrated to be important to understanding the visual appe...}, number={12}, journal={MACROMOLECULES}, author={Song, Y and Srinivasarao, M and Tonelli, A and Balik, CM and McGregor, R}, year={2000}, month={Jun}, pages={4478–4485} }
 @article{rusa_tonelli_2000, title={Polymer/polymer inclusion compounds as a novel approach to obtaining a PLLA/PCL intimately compatible blend}, volume={33}, ISSN={["0024-9297"]}, DOI={10.1021/ma000746h}, abstractNote={ADVERTISEMENT RETURN TO ISSUEPREVCommunication to the...Communication to the EditorNEXTPolymer/Polymer Inclusion Compounds as a Novel Approach To Obtaining a PLLA/PCL Intimately Compatible BlendCristian C. Rusa and Alan E. TonelliView Author Information Fiber and Polymer Science Program, North Carolina State University, P.O. Box 8301, Raleigh, North Carolina 27695-8301 Cite this: Macromolecules 2000, 33, 15, 5321–5324Publication Date (Web):July 7, 2000Publication History Received1 May 2000Revised10 June 2000Published online7 July 2000Published inissue 1 July 2000https://doi.org/10.1021/ma000746hCopyright © 2000 American Chemical SocietyRIGHTS & PERMISSIONSArticle Views1733Altmetric-Citations124LEARN ABOUT THESE METRICSArticle Views are the COUNTER-compliant sum of full text article downloads since November 2008 (both PDF and HTML) across all institutions and individuals. These metrics are regularly updated to reflect usage leading up to the last few days.Citations are the number of other articles citing this article, calculated by Crossref and updated daily. Find more information about Crossref citation counts.The Altmetric Attention Score is a quantitative measure of the attention that a research article has received online. Clicking on the donut icon will load a page at altmetric.com with additional details about the score and the social media presence for the given article. Find more information on the Altmetric Attention Score and how the score is calculated. Share Add toView InAdd Full Text with ReferenceAdd Description ExportRISCitationCitation and abstractCitation and referencesMore Options Share onFacebookTwitterWechatLinked InReddit Read OnlinePDF (163 KB) Get e-AlertsSUBJECTS:Crystallization,Crystals,Differential scanning calorimetry,Fourier transform infrared spectroscopy,Polymers Get e-Alerts}, number={15}, journal={MACROMOLECULES}, author={Rusa, CC and Tonelli, AE}, year={2000}, month={Jul}, pages={5321–5324} }
 @article{rusa_tonelli_2000, title={Separation of polymers by molecular weight through inclusion compound formation with urea and alpha-cyclodextrin hosts}, volume={33}, ISSN={["0024-9297"]}, DOI={10.1021/ma991883l}, abstractNote={α-Cyclodextrin (α-CD) and urea (U) hosts were used in order to separate a mixture of poly(ethylene glycols) (PEGs) with two different molecular weights (Mw = 600 [PEG600] and Mw = 20 000 [PEG20000]) by forming the respective inclusion compounds (ICs). Differential scanning calorimetry (DSC), Fourier transform infrared (FTIR) spectroscopy, and wide-angle X-ray diffraction (WAXD) have been used to verify the formation and successfully characterize all inclusion compounds. The high melting point of the urea inclusion compound (PEG*-U IC) formed from the solution containing both polymers was the first evidence that urea preferentially included poly(ethylene glycol) with the higher molecular weight. The PEG*-U IC and PEG20000-U IC X-ray diffraction patterns and FTIR spectra were very similar to each other, confirming that urea preferentially complexes PEG20000 in their mutual solution. Since the above-mentioned techniques were not as useful in the case of α-CD ICs, viscosity measurements were made in order to ...}, number={5}, journal={MACROMOLECULES}, author={Rusa, CC and Tonelli, AE}, year={2000}, month={Mar}, pages={1813–1818} }
 @article{tonelli_1999, title={Biodegradable wound dressing improves healing of burns}, number={1999 Oct.}, journal={Medical Textiles}, author={Tonelli, A. E.}, year={1999}, pages={4} }
 @article{huang_taylor_gerber_orndorff_horton_tonelli_1999, title={Formation of antibiotic, biodegradable/bioabsorbable polymers by processing with neomycin sulfate and its inclusion compound with beta-cyclodextrin}, volume={74}, ISSN={["0021-8995"]}, DOI={10.1002/(SICI)1097-4628(19991024)74:4<937::AID-APP20>3.0.CO;2-K}, abstractNote={Samples of pure neomycin sulfate and its inclusion compound (IC) with β-cyclodextrin were implanted into films of poly(L-lactic acid) (PLLA) and poly(e-caprolactone) (PCL). Both polymers have been widely used commercially to make sutures. The antibacterial activity of these films against Escherichia coli was tested. Films made by either solution casting or melt pressing were divided into the following three groups: (1) plain polymer films, (2) those embedded with pure neomycin sulfate, and (3) those embedded with neomycin sulfate-β-cyclodextrin IC. Filter paper treated with 1.5 μL of 10 mg/μL Kanamycin and neomycin were used as controls and resulted in 11- and 8-mm zones of inhibition/or antibacterial activity, respectively. Small discs (ca. 2% of total area) cut from solution-cast films of PLLA and PCL containing 50 wt % neomycin sulfate IC had 17- and 16-mm zones of inhibition, and PLLA and PCL containing 50 wt % pure neomycin sulfate deterred bacterial growth, resulting in 19-mm zones of inhibition. Melt-pressed films containing 10 wt % pure neomycin sulfate or its IC, showed 17- and 11-mm zones of inhibition for PLLA films, respectively, while PCL films showed 13- and 9-mm zones of inhibition, respectively. For melt-pressed films that contain 0.01 wt % pure neomycin sulfate or its IC, PLLA films showed 11- and 9.5-mm zones of inhibition, respectively, while PCL films showed 11- and 10-mm zones of inhibition, respectively. Since an antibiotic, bioabsorbable suture does not require surgical removal, implanting an inclusion compound in the suture might allow the slow release of antibiotic, thereby guarding against postsurgical infection and also protecting the antibiotic from degradation during the melt-spinning process used to make the suture. © 1999 John Wiley & Sons, Inc. J Appl Polym Sci 74: 937–947, 1999}, number={4}, journal={JOURNAL OF APPLIED POLYMER SCIENCE}, author={Huang, L and Taylor, H and Gerber, M and Orndorff, PE and Horton, JR and Tonelli, A}, year={1999}, month={Oct}, pages={937–947} }
 @article{huang_1999, title={Inclusion compounds as a means to fabricate controlled release materials}, volume={728}, DOI={10.1021/bk-1999-0728.ch010}, abstractNote={Certain molecular hosts, such as urea, thiourea, perhydrotriphenylene, and cyclodextrins, can form crystalline inclusion compounds (ICs) during their cocrystallization with appropriate guest molecules. The IC host molecules crystallize into a three-dimensional lattice which surrounds and isolates the included guest molecules into well-defined cavities. These IC crystals may be thought of as host molecule crystalline containers whose contents are the included guest molecules. Until the IC crystals are disrupted by melting or dissolution, the included guest molecules are kept isolated from the environment. Both small-molecule and polymer guests may be included in ICs. When embedded in a carrier polymer phase and subsequently treated with a solvent for the IC host, the included guest molecules are released and coalesced into the carrier polymer phase producing a guest-carrier polymer molecular composite. In the present report we describe the fabrication of several such molecular composites using ICs containing either small-molecule or polymer guests. Their characterization is also described, and several controlled release applications are suggested.}, journal={ACS Symposium Series}, author={Huang, L.}, year={1999} }
 @article{huang_allen_tonelli_1999, title={Inclusion compounds formed between cyclodextrins and nylon 6}, volume={40}, ISSN={["0032-3861"]}, DOI={10.1016/S0032-3861(98)00529-1}, abstractNote={High performance properties are increasingly needed in fibers for industrial applications. Such properties have been achieved in both flexible and intrinsically stiff polymers, but only through specialized and expensive spinning methods. In this work, the potential of achieving high performance mechanical behavior in nylon 6 using a conventional spinning process was explored. We report the formation of high-molecular-weight polymer inclusion compounds (ICs) between α- and β-cyclodextrins (α- and β-CDs) and nylon 6 (Mn=12 kg mol−1). Both high-molecular-weight polymer ICs were successfully made by a heating technique. Differential scanning calorimetry (DSC), thermogravimetric analysis (TGA), wide-angle X-ray diffraction (WAXD), and Fourier transform infrared (FTIR) spectroscopy have been utilized to observe the nylon 6 polymer chains included inside the channels formed by the cyclodextrins. DSC and TGA scans showed the high-temperature stable nylon 6-CD-IC samples contain no free crystalline nylon 6 polymer, and the much higher decomposition temperatures observed for these nylon-CD-ICs may imply that polymer chains included inside the polymer CD-IC channels can greatly improve cyclodextrins' stabilities. The nylon 6-α-CD-IC and nylon 6-β-CD-IC X-ray diffraction patterns were very similar to those of valeric acid-α-CD-IC and 1-propanol-β-CD-IC, which were confirmed to be channel crystal structures by single crystal X-ray diffraction. A new band which was absent from the pure cyclodextrin spectrum appeared at 1729 cm−1 for nylon 6-CD-ICs in their FTIR spectra and may be characteristic for CDs in their channel-forming ICs.}, number={11}, journal={POLYMER}, author={Huang, L and Allen, E and Tonelli, AE}, year={1999}, month={May}, pages={3211–3221} }
 @article{shin_huang_tonelli_1999, title={NMR observation of the conformations and motions of polymers confined to the narrow channels of their inclusion compounds}, volume={138}, ISSN={["1022-1360"]}, DOI={10.1002/masy.19991380105}, abstractNote={Abstract}, journal={MACROMOLECULAR SYMPOSIA}, author={Shin, ID and Huang, L and Tonelli, AE}, year={1999}, month={Mar}, pages={21–40} }
 @article{song_srinivasarao_tonelli_1999, title={Study of dye diffusion in fibers by laser scanning confocal microscopy}, volume={148}, ISSN={["1521-3900"]}, DOI={10.1002/masy.19991480129}, abstractNote={Abstract}, journal={MACROMOLECULAR SYMPOSIA}, author={Song, Y and Srinivasarao, M and Tonelli, A}, year={1999}, month={Dec}, pages={395–402} }
 @inbook{huang_allen_tonelli_1998, title={Modeling ordered bulk polymer phases and fabricating polymer-polymer molecular composites with polymer inclusion compounds}, volume={2}, booktitle={Recent research developments in polymer science (Managing ed.)}, publisher={Trivandrum, India: Transworld Research Network}, author={Huang, L. and Allen, E. J. and Tonelli, A. E.}, year={1998}, pages={175} }
 @article{huang_tonelli_1998, title={Polymer Inclusion Compounds}, volume={38}, ISSN={1532-1797 1520-5746}, url={http://dx.doi.org/10.1080/15583729808546037}, DOI={10.1080/15583729808546037}, abstractNote={1. INTRODUCTION 1.1. Background Schlenk was the first to use the term inclusion compound (IC) to describe the crystalline adducts in which one component (host molecule) crystallizes into a matrix, isolating the second component (guest molecule) into cavities of well-defined geometry [1]. Most of the ICs reported have been described as inclusion compounds or clathrates in the literature. In addition, there are many more compounds that are described as solvates, and many of these must surely be ICs [2].}, number={4}, journal={Journal of Macromolecular Science, Part C: Polymer Reviews}, publisher={Informa UK Limited}, author={Huang, Lei and Tonelli, Alan E.}, year={1998}, month={Jan}, pages={781–837} }
 @article{huang_allen_tonelli_1998, title={Study of the inclusion compounds formed between alpha-cyclodextrin and high molecular weight poly(ethylene oxide) and poly(epsilon-caprolactone)}, volume={39}, ISSN={["0032-3861"]}, DOI={10.1016/S0032-3861(97)00568-5}, abstractNote={We report the formation of high molecular weight polymer inclusion compounds (ICs) between α-cyclodextrin and poly(ethylene oxide) (PEO) (Mn = 100 kg mol−1), and poly(ϵ-caprolactone) (PCL) (Mn = 40 kg mol−1). Both high molecular weight polymer ICs were successfully made by ultrasonic and heating techniques. Dsc, tga, X-ray diffraction, FT i.r. and solid state 13C n.m.r. were utilized to observe the PCL and PEO polymer chains included inside the channels formed by α-cyclodextrin. Dsc and tga scans showed that the high temperature stable polymer-CD-IC samples contain no free crystalline polymer. The much higher decomposition temperatures observed for these polymer-CD-ICs may imply that polymer chains included inside the polymer CD-IC channels can greatly improve cyclodextrin's stability. The polymer-CD-IC's X-ray diffraction patterns were very similar to that of valeric acid-CD-IC, which is confirmed to be a channel crystal structure, and the strong peak for both polymer-CD-ICs at approximately 20.0° (2θ) may confirm their IC formation. New bands appeared at 1729 cm−1 for PEO-CD-IC and at 1739 cm−1 for PCL-CD-IC in their FTi.r. spectra. Both bands were absent from the α-cyclodextrin spectrum. In CP/MAS/DD 13C n.m.r. spectra, single resonances for PEO-CD-IC, which compared with the multiple resonances observed for each carbon type in α-cyclodextrin, may indicate that α-cyclodextrin adopts a more symmetrical cyclic conformation in the PEO-CD-IC sample, while pure α-cyclodextrin assumes a less symmetrical conformation in the crystal when it does not include a guest polymer PEO inside its cavity. A one-pulse 13C n.m.r. spectrum was observed to identify the resonance peak for PEO inside the PEO-CD-IC.}, number={20}, journal={POLYMER}, author={Huang, L and Allen, E and Tonelli, AE}, year={1998}, month={Sep}, pages={4857–4865} }
 @article{vasanthan_shin_huang_nojima_tonelli_1997, title={Formation, characterization, and segmental mobilities of block copolymers in their urea inclusion compound crystals}, volume={30}, ISSN={["0024-9297"]}, DOI={10.1021/ma970213h}, abstractNote={We report the formation of crystalline inclusion compounds (ICs) between the small-molecule host urea (U) and two block copolymer guests: (i) poly(e-caprolactone)-polybutadiene (PCL-PBD) and (ii) PCL-poly(ethylene oxide)-PCL (PCL-PEO-PCL). Both block copolymer-U-ICs are formed by cocrystallization from saturated solutions of urea, and each block copolymer-U-IC was observed with DSC, X-ray diffraction, and 13 C NMR and FTIR spectroscopies. It was found that both blocks of the PCL-PBD diblock copolymer are included in the U-IC channels while only the terminal PCL blocks of the PCL-PEO-PCL triblock copolymer are included. The structure of the PCL-PBD-U-IC appears to be a combination of the traditional hexagonal form with narrow ca. 5.5 A channels surrounding the PCL blocks, while the PBD blocks are included in an expanded tetragonal structure observed previously for PEO(oligomer)-U-IC and polypropylene-U-IC, where the urea matrix channel diameter is believed to be expanded beyond 7 A. This might explain how the PBD blocks, which contain 12% 1,2 units with bulky -CH=CH 2 side chains, are accommodated in the U-IC channels. Similarly, in the PCL-PEO-PCL-U-IC, where only the terminal PCL blocks are included, the IC structure appears very similar to the usual narrow channel, hexagonal structure as found, for example, in PCL-U-IC, the IC between the PCL homopolymer and urea. As a consequence, we may observe PCL blocks in two distinct U-IC environments and may compare their behaviors to those of PCL chains in the homopolymer PCL-U-IC and homopolymer and block copolymer bulk crystals. In addition, T lΡ measurements of 1 H spin diffusion reveal structural aspects of the block copolymer-U-ICs, and the isolation of U-IC included polymer chains from their neighbors may permit the probing of 1-dimensional 'H spin diffusion by observing the T 1 ρ( 1 H) relaxation in these block copolymer-U-ICs.}, number={10}, journal={MACROMOLECULES}, author={Vasanthan, N and Shin, ID and Huang, L and Nojima, S and Tonelli, AE}, year={1997}, month={May}, pages={3014–3025} }
 @article{tonelli_andrady_1997, title={Molecular estimates of the moduli of tough, elastic networks formed through end-linking of poly(Dimethyl Siloxane) oligomers}, volume={7}, number={1997}, journal={Computational Polymer Science}, author={Tonelli, A. E. and Andrady, A. J.}, year={1997}, pages={103} }
 @article{tonelli_1997, title={Polymer inclusion compounds: Model systems for ordered bulk polymer phases and starting materials for fabricating polymer-polymer molecular composites}, volume={43}, ISSN={["0959-8103"]}, DOI={10.1002/(SICI)1097-0126(199708)43:4<295::AID-PI742>3.0.CO;2-8}, abstractNote={Several small molecules can be cocrystallized with polymers to form inclusion compounds (ICs). Urea, perhydrotriphenylene and the cyclodextrins are examples, and serve to form the host crystalline lattice containing the guest polymer chains in their ICs. The guest polymer chains are confined to narrow, cylindrical channels created by the host, small-molecule lattice, where the polymers are highly extended as a consequence of being squeezed, and are separated from neighbouring polymer chains by the IC channel walls composed exclusively of the small-molecule lattice. The net result is a unique solid-state environment for polymers residing in IC channels, which can be utilized as model systems for ordered, bulk polymer phases. Comparison of the behaviour of polymer chains isolated and extended in IC crystals with the behaviour observed for ordered, bulk phases of polymers is beginning to permit an assessment of contributions made by the inherent, single chain and the cooperative, interchain interactions to the properties of ordered, bulk polymers. It is also possible to release and coalesce polymers from their IC crystals in a manner which leads to their consolidation with a chain-extended morphology. Embedding polymer IC crystals into a carrier polymer, followed by in situ release and coalescence of the included polymers from their IC crystals, offers a means to obtain polymer-polymer composites with unique morphologies. Several such polymer IC-generated composites are described and it is suggested that their unique morphologies might translate into useful, tailorable properties, as well as providing a means for addressing several questions that are fundamental to the behaviour of both phase-separated and homogeneous polymer solids.}, number={4}, journal={POLYMER INTERNATIONAL}, author={Tonelli, AE}, year={1997}, month={Aug}, pages={295–309} }
 @article{huang_vasanthan_tonelli_1997, title={Polymer-polymer composites fabricated by the in situ release and coalescence of polymer chains from their inclusion compounds with urea into a carrier polymer phase}, volume={64}, ISSN={["0021-8995"]}, DOI={10.1002/(SICI)1097-4628(19970411)64:2<281::AID-APP8>3.0.CO;2-N}, abstractNote={Inclusion compounds (ICs) can be formed between small-molecule hosts and guest polymers, where the crystalline host lattice confines the guest polymers to occupy narrow cylindrical channels. The included polymers are highly extended by the narrow channel diameters and are separated from neighboring polymer chains by the walls of the small-molecule host lattice. It is possible to coalesce the polymer chains from their ICs by exposure to a solvent for the small-molecule host which is not a solvent for the included polymer chains. When crystallizable polymers are coalesced from their ICs by solvent treatment, they are observed to crystallize in an extended-chain morphology accompanied by much less chain-folding than occurs when crystallization of the same polymers take place from their disordered melt or solution environments. In this report we outline our initial efforts to create polymer-polymer molecular composites based on the coalescence of polymer chains from their IC crystals with urea, which were previously embedded in a carrier polymer phase. Both film and fiber composites made with chemically identical or distinct IC-included and carrier polymers are described. Water vapor permeation, differential scanning calorimetry (DSC) and microscopic observations are used to probe these composites; and several applications are suggested. © 1997 John Wiley & Sons, Inc. J Appl Polym Sci 64: 281–287, 1997}, number={2}, journal={JOURNAL OF APPLIED POLYMER SCIENCE}, author={Huang, L and Vasanthan, N and Tonelli, AE}, year={1997}, month={Apr}, pages={281–287} }
 @article{mathur_tonelli_rathke_thomas_1997, title={The dissolution and characterization of Bombyx mori silk fibroin in calcium nitrate-methanol solution and the regeneration of films}, volume={42}, DOI={10.1002/(SICI)1097-0282(199707)42:1<61::AID-BIP6>3.0.CO;2-#}, number={1}, journal={Biopolymers}, author={Mathur, A. B. and Tonelli, A. and Rathke and Thomas, Hudson S.}, year={1997}, pages={61–74} }