@article{ding_szymczyk_mehraban_lim_parrillo-chapman_el-shafei_freeman_2022, title={Molecular and excited state properties of photostable anthraquinone red and violet dyes for hydrophobic fibers}, volume={1248}, ISSN={["1872-8014"]}, DOI={10.1016/j.molstruc.2021.131349}, abstractNote={The molecular, spectroscopic, and excited state properties of synthetic dyes for fiber-based outdoor materials continue to be of commercial interest. Early developments in this area were reported in the 1980s, when the need for dyes for polyester (PET)-based automobile interiors gave rise to commercially viable nitrodiphenylamine yellow, anthraquinone red and blue, and azo red dyes. To augment that initial knowledge base, the present study involved the use of experimental and theoretical methods to help establish the molecular structures and excited state properties of some more recent dyes for producing photostable colors on PET fibers. Having completed the characterization of present-day scarlet, blue, and yellow disperse dyes for PET-based fibers used outdoors, our attention turned to commercially available red and violet dyes. In this regard, HPLC analysis showed that the red product was a mixture containing four components, while the violet product contained only one component. Results from 1H NMR, HRMS, and single crystal X-ray diffraction analyses indicated that the principal components were dyes having a 1-amino-4-hydroxyanthraquinone base structure. The presence of an –OH group alpha to an anthraquinone C=O moiety provides for intramolecular H-bonding and a subsequent opportunity for intramolecular proton transfer in the excited state – as a photostabilizing mechanism. Further, for both dyes, results from the analysis of Frontier HOMO and LUMO isosurfaces indicated strong HOMO-LUMO overlap without molecular gaps and were consistent with strong excited state energy dissipation in a non-destructive way.}, journal={JOURNAL OF MOLECULAR STRUCTURE}, author={Ding, Yi and Szymczyk, Malgorzata and Mehraban, Nahid and Lim, Jihye and Parrillo-Chapman, Lisa and El-Shafei, Ahmed and Freeman, Harold S.}, year={2022}, month={Jan} }
 @article{lim_chapman_2019, title={Fabric Surface Characteristics and their Impact on Digital Textile Printing Quality of PET Fabrics}, volume={6}, ISSN={["2330-5517"]}, DOI={10.14504/ajr.6.1.1}, abstractNote={Pretreatment and yarn type alter the characteristics of fabric surfaces and impact the quality of inkjet digital printing including colorfastness, color shade, colorfulness, and color strength. Specifically, printed pigments are subject to crocking due to physical attachment on a fiber surface without diffusing into the fibers, which increases color transfer to another fabric. This remains a challenge in obtaining high colorfastness as well as full color shade, colorfulness, and color strength. Thus, this study investigated and quantitatively analyzed the effects of pretreatment and yarn type on shade, colorfulness, color strength, and crockfastness. Fabric wettability was also observed to examine the impact on printing quality.}, number={1}, journal={AATCC JOURNAL OF RESEARCH}, author={Lim, Jihye and Chapman, Lisa Parrillo}, year={2019}, pages={1–9} }
 @article{lim_szymczyk_mehraban_ding_parrillo-chapman_el-shafei_freeman_2018, title={Data from X-ray crystallographic analysis and DFT calculations on isomeric azo disperse dyes}, volume={21}, ISSN={["2352-3409"]}, url={http://www.scopus.com/inward/record.url?eid=2-s2.0-85055317185&partnerID=MN8TOARS}, DOI={10.1016/j.dib.2018.10.010}, abstractNote={X-ray crystallography and DFT calculations were used to characterize the molecular nature and excited state properties of isomeric photostable azo dyes for textile fibers undergoing extensive sunlight exposure. Structural data in CIF files arising from X-ray analysis are reported and the complete files are deposited with the Cambridge Crystallographic Data Centre as CCDC 1548989 (https://www.ccdc.cam.ac.uk/structures/Search?Ccdcid=1548989) and CCDC 1548990 (https://www.ccdc.cam.ac.uk/structures/Search?Ccdcid=1548990). Data from calculating the vertical electronic excitation of 20 excited states for each dye and from calculating excited state oxidation potential (ESOP) and Frontier HOMO/LUMO isosurfaces are also presented. This data is related to the article “Molecular and excited state properties of isomeric scarlet disperse dyes” (Lim et al., 2018) [1].}, journal={DATA IN BRIEF}, author={Lim, Jihye and Szymczyk, Malgorzata and Mehraban, Nahid and Ding, Yi and Parrillo-Chapman, Lisa and El-Shafei, Ahmed and Freeman, Harold S.}, year={2018}, month={Dec}, pages={675–683} }
 @article{lim_powell_lee_michielsen_2017, title={Geometric impact of void space in woven fabrics on oil resistance or repellency}, volume={52}, ISSN={["1573-4803"]}, url={http://dx.doi.org/10.1007/s10853-017-1022-9}, DOI={10.1007/s10853-017-1022-9}, number={13}, journal={JOURNAL OF MATERIALS SCIENCE}, publisher={Springer Science and Business Media LLC}, author={Lim, Jihye and Powell, Nancy and Lee, Hoonjoo and Michielsen, Stephen}, year={2017}, month={Jul}, pages={8149–8158} }
 @article{lim_powell_lee_michielsen_2016, title={Integration of yarn compression in modeling structural geometry of liquid resistant-repellent fabric surfaces and its impact on liquid behavior}, volume={51}, ISSN={["1573-4803"]}, DOI={10.1007/s10853-016-0001-x}, number={15}, journal={JOURNAL OF MATERIALS SCIENCE}, publisher={Springer Nature}, author={Lim, Jihye and Powell, Nancy and Lee, Hoonjoo and Michielsen, Stephen}, year={2016}, month={Aug}, pages={7199–7210} }