Works (91)

2019 journal article

Improved Eco-Friendliness of a Common Flame Retardant through Inclusion Complexation with Cyclodextrins

ACS Applied Polymer Materials, 10.

By: N. Zhang, E. Yildirim, C. Zane, J. Shen, N. Vinueza, D. Hinks, A. Tonelli, M. Pasquinelli

Source: ORCID
Added: October 4, 2019

2019 article

Influence of UV stabilizers on the weathering of PETG and PCTT films

JOURNAL OF APPLIED POLYMER SCIENCE.

By: K. Arangdad, E. Yildirim, A. Detwiler, C. Cleven, C. Burk, R. Shamey, M. Pasquinelli, H. Freeman, A. El-Shafei

Source: Web Of Science
Added: August 5, 2019

2019 journal article

Photodegradation of copolyester films: A mechanistic study

Journal of Applied Polymer Science, 10, 47148.

By: K. Arangdad, A. Detwiler, C. Cleven, C. Burk, R. Shamey, M. Pasquinelli, H. Freeman, A. El-Shafei

Source: ORCID
Added: December 6, 2018

2019 journal article

Role of Local Polymer Conformations on the Diverging Glass Transition Temperatures and Dynamic Fragilities of Isotactic-, Syndiotactic-, and Atactic-Poly(methyl methacrylate)s

Macromolecules, 5.

By: J. Shen, E. Yildirim, S. Li, Y. Caydamli, M. Pasquinelli & A. Tonelli

Source: ORCID
Added: May 15, 2019

2018 journal article

Communication: Molecular-level description of constrained chain topologies in multiblock copolymer gel networks

The Journal of Chemical Physics, 148(23), 231101.

By: M. Tuhin, S. Woloszczuk, K. Mineart, M. Pasquinelli, J. Sadler, S. Smith, M. Banaszak, R. Spontak

Sources: NC State University Libraries, ORCID
Added: August 6, 2018

2018 journal article

Microphase-Separated Morphologies and Molecular Network Topologies in Multiblock Copolymer Gels

Macromolecules, 51(14), 5173–5181.

By: M. Tuhin, J. Ryan, J. Sadler, Z. Han, B. Lee, S. Smith, M. Pasquinelli, R. Spontak

Source: ORCID
Added: December 6, 2018

2018 journal article

Thermoplastic Elastomer Systems Containing Carbon Nanofibers as Soft Piezoresistive Sensors

ACS OMEGA, 3(10), 12648–12657.

By: A. Turgut, M. Tuhin, O. Toprakci, M. Pasquinelli, R. Spontak & H. Toprakci

Sources: NC State University Libraries, ORCID
Added: November 26, 2018

2017 journal article

Complex phase behavior and network characteristics of midblock-solvated triblock copolymers as physically cross-linked soft materials

ACS Applied Materials & Interfaces, 9(46), 39940–39944.

By: S. Woloszczuk, M. Tuhin, S. Gade, M. Pasquinelli, M. Banaszak & R. Spontak

Sources: NC State University Libraries, ORCID
Added: August 6, 2018

2017 conference paper

Integrating Experiments and MD Simulations to Determine Degradation of Poly-4-Hydroxybutyrate (P4HB) For Surgical Suture Applications

In Proceedings of the Technical Medical Textiles Conference. Stuggart, Germany.

By: R. Vaid, M. Pasquinelli & M. King

Source: ORCID
Added: December 6, 2018

2017 journal article

Nanoscale considerations responsible for diverse macroscopic phase behavior in monosubstituted isobutyl-POSS/poly(ethylene oxide) blends

Soft Matter, 13(46), 8672–8677.

Sources: NC State University Libraries, ORCID
Added: August 6, 2018

2016 journal article

Combined experimental and computational study of process-property relationships for bioabsorbable polymers

Front. Bioeng. Biotechnol., 4.

By: G. Chirag, P. Melissa & K. Martin

Source: ORCID
Added: December 6, 2018

2016 conference paper

Flame retardants: New approaches to reduce exposure

In ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY (Vol. 252).

By: C. Zane, M. Pasquinelli, N. Vinueza, Y. Chen, D. Hinks, N. Zhang, E. Yildirim, A. Tonelli

Source: ORCID
Added: December 6, 2018

2016 journal article

Hierarchical multi-component nanofiber separators for lithium polysulfide capture in lithium--sulfur batteries: an experimental and molecular modeling study

Journal of Materials Chemistry A, 4(35), 13572–13581.

By: J. Zhu, E. Yildirim, K. Aly, J. Shen, C. Chen, Y. Lu, M. Jiang, D. Kim ...

Sources: NC State University Libraries, ORCID
Added: August 6, 2018

2016 journal article

Influence of Copolyester Composition on Adhesion to Soda-Lime Glass via Molecular Dynamics Simulations

ACS Applied Materials and Interfaces, 8(21), 13583–13589.

By: B. Hanson, J. Hofmann & M. Pasquinelli

Sources: NC State University Libraries, ORCID
Added: August 6, 2018

2016 journal article

Macromol. Rapid Commun. 22/2016

Macromolecular Rapid Communications, 37(22), 1785–1785.

By: S. Tallury, B. Pourdeyhimi, M. Pasquinelli & R. Spontak

Source: ORCID
Added: December 6, 2018

2016 article

Molecular Dynamics Simulations of Nano-biomaterials

Encyclopedia of Nanotechnology. Springer Nature.

By: M. Pasquinelli & Y. Yingling

Source: ORCID
Added: December 6, 2018

2016 journal article

Perspectives on the Use of Molecular Dynamics Simulations to Characterize Filler-Matrix Adhesion and Nanocomposite Mechanical Properties

Interface/Interphase in Polymer Nanocomposites, 379–411.

By: S. Deshmukh, B. Hanson, Q. Jiang & M. Pasquinelli

Source: ORCID
Added: December 6, 2018

2016 journal article

Physical Microfabrication of Shape-Memory Polymer Systems via Bicomponent Fiber Spinning

Macromolecular Rapid Communications, 37(22), 1837–1843.

By: S. Tallury, B. Pourdeyhimi, M. Pasquinelli & R. Spontak

Sources: NC State University Libraries, ORCID
Added: August 6, 2018

2016 conference paper

Role of chemical structure on the alkaline hydrolysis of industrially-relevant copolyester model compounds

In ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY (Vol. 252).

By: E. Yildirim, B. Abolins, A. Detwiler, C. Cleven, H. Freeman, A. El Shafei, M. Pasquinelli

Source: ORCID
Added: December 6, 2018

2016 journal article

Synthetic Design of Polyester Electrolytes Guided by Hydrophobicity Calculations

Macromolecules, 49(20), 7868–7876.

By: E. Yildirim, D. Dakshinamoorthy, M. Peretic, M. Pasquinelli & R. Mathers

Sources: NC State University Libraries, ORCID
Added: August 6, 2018

2015 conference paper

Design of Safer Flame Retardant Textiles through Inclusion Complex Formation with Cyclodextrins

In Proceedings of the Asian Textiles Conference 13. Geelong, Australia.

By: N. Zhang, J. Shen, M. Pasquinelli, D. Hinks & A. Tonelli

Source: ORCID
Added: December 6, 2018

2015 journal article

Formation and characterization of an inclusion complex of triphenyl phosphate and β-cyclodextrin and its use as a flame retardant for polyethylene terephthalate

Polymer Degradation and Stability, 120, 244–250.

By: N. Zhang, J. Shen, M. Pasquinelli, D. Hinks & A. Tonelli

Sources: NC State University Libraries, ORCID
Added: August 6, 2018

2015 conference paper

Interfacial Characteristics of Polymer Nanocomposites via Molecular Dynamics Simulations

In Texcomp-12 International Conference Proceedings. Raleigh, NC.

By: M. Pasquinelli, Q. Jiang & J. Moo-Young

Source: ORCID
Added: December 6, 2018

2015 conference paper

Molecular design of shape-memory polymer fibers that are thermally responsive

In Fiber Society 2015 Fall Meeting and Technical Conference - Fibers: Where Tradition Meets Innovation.

By: M. Pasquinelli, S. Tallury, B. Pordeyhimi & R. Spontak

Source: ORCID
Added: December 6, 2018

2015 conference paper

Molecular dynamics study on the influence of copolyeseter composition on adhesion with soda-lime glass

In ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY (Vol. 249).

By: B. Hanson, J. Ray & M. Pasquinelli

Source: ORCID
Added: December 6, 2018

2015 article

Multicomponent fibers capable of thermally induced shape recovery and the making thereof

Tallury, S. S., Pasquinelli, M. A., Spontak, R. J., & Pourdeyhimi, B. A. (2015, September).

By: S. Tallury, M. Pasquinelli, R. Spontak & B. Pourdeyhimi

Source: ORCID
Added: December 6, 2018

2015 conference paper

Photo-aging of modified PET-based model compounds

In Fiber Society 2015 Fall Meeting and Technical Conference - Fibers: Where Tradition Meets Innovation.

By: H. Cheema, E. Yildrim, K. Arangdad, C. Burk, C. Cleven, A. Detwiler, R. Shamey, M. Pasquinelli, H. Freeman, A. El-Shafei

Source: ORCID
Added: December 6, 2018

2015 journal article

Systematic Insights from Medicinal Chemistry To Discern the Nature of Polymer Hydrophobicity

Macromolecules, 48(19), 7230–7236.

By: A. Magenau, J. Richards, M. Pasquinelli, D. Savin & R. Mathers

Sources: NC State University Libraries, ORCID
Added: August 6, 2018

2014 journal article

Communication: Molecular-level insights into asymmetric triblock copolymers: Network and phase development

Journal of Chemical Physics, 141(12), 121103.

By: S. Tallury, K. Mineart, S. Woloszczuk, D. Williams, R. Thompson, M. Pasquinelli, M. Banaszak, R. Spontak

Sources: NC State University Libraries, ORCID
Added: August 6, 2018

2014 article

Communication: Molecular-level insights into asymmetric triblock copolymers: Network and phase development

AIP.

By: S. Tallury, K. Mineart, S. Woloszczuk, D. Williams, R. Thompson, M. Pasquinelli, M. Banaszak, R. Spontak

Source: ORCID
Added: December 6, 2018

2014 journal article

Conjugated polymer assemblies on carbon nanotubes

Macromolecules, 47(2), 705–712.

By: J. Liu, J. Moo-Young, M. McInnis, M. Pasquinelli & L. Zhai

Sources: NC State University Libraries, ORCID
Added: August 6, 2018

2014 journal article

Dissipative particle dynamics of triblock copolymer melts: A midblock conformational study at moderate segregation

The Journal of Chemical Physics, 141(24), 244911.

By: S. Tallury, R. Spontak & M. Pasquinelli

Sources: NC State University Libraries, ORCID
Added: August 6, 2018

2014 journal article

Molecular Dynamics Simulations for Predicting Surface Wetting

AIMS Materials Science, 1(2), 121–131.

By: J. Chen, N. University, B. Hanson & M. Pasquinelli

Source: ORCID
Added: December 6, 2018

2014 journal article

Molecular Dynamics Simulations for Predicting Surface Wetting

AIMS Materials Science, 1(2), 121–131.

By: J. Chen, N. University, B. Hanson & M. Pasquinelli

Source: ORCID
Added: December 6, 2018

2014 journal article

Molecular dynamics simulations of the adhesion of a thin annealed film of oleic acid onto crystalline cellulose

Biomacromolecules, 15(4), 1476–1483.

By: M. Quddus, O. Rojas & M. Pasquinelli

Source: ORCID
Added: December 6, 2018

2014 journal article

Molecular dynamics simulations of the effect of the volume fraction on unidirectional polyimide-carbon nanotube nanocomposites

Carbon, 67, 440–448.

By: Q. Jiang, S. Tallury, Y. Qiu & M. Pasquinelli

Sources: NC State University Libraries, ORCID
Added: August 6, 2018

2014 journal article

Publisher's Note: “Communication: Molecular-level insights into asymmetric triblock copolymers: Network and phase development” [J. Chem. Phys. 141, 121103 (2014)]

The Journal of Chemical Physics, 141(16), 169901.

By: S. Tallury, K. Mineart, S. Woloszczuk, D. Williams, R. Thompson, M. Pasquinelli, M. Banaszak, R. Spontak

Sources: NC State University Libraries, ORCID
Added: August 6, 2018

2014 journal article

Publisher's Note:“Communication: Molecular-level insights into asymmetric triblock copolymers: Network and phase development”[J. Chem. Phys. 141, 121103 (2014)]

The Journal of Chemical Physics, 141(16), 169901.

By: S. Tallury, K. Mineart, S. Woloszczuk, D. Williams, R. Thompson, M. Pasquinelli, M. Banaszak, R. Spontak

Source: ORCID
Added: December 6, 2018

2013 conference paper

Combined experimental and simulation approach to tailor the microstructures of polymer materials through inclusion complex formation and subsequent release

In ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY (Vol. 245).

By: A. Gurarslan, M. Pasquinelli & A. Tonelli

Source: ORCID
Added: December 6, 2018

2013 conference paper

Thermoplastic elastomer systems for stimulated shape change: From electrical actuation to thermal recovery

In International Symposium on Fibers Interfacing the World.

By: R. Spontak, S. Tallury, T. Ghosh, M. Pasquinelli & B. Pourdeyhimi

Source: ORCID
Added: December 6, 2018

2012 journal article

COMPARATIVE THREADING OF GUEST POLYMERS BY HOST CYCLODEXTRINS: MODELING AND EXPERIMENTAL OBSERVATIONS

Polymer Preprints, 53(1), 406.

By: A. Gurarslan, M. Pasquinelli & A. Tonelli

Source: ORCID
Added: December 6, 2018

2012 journal article

Carbon Nanotube and Polyimide Interactions: A Molecular Dynamics Study

Polymer Preprints, 53(2), 71.

By: Q. Jiang, S. Tallury & M. Pasquinelli

Source: ORCID
Added: December 6, 2018

2012 conference paper

Characteristics of interfaces in ABA triblock copolymer/homopolymer systems from simulations and theory

In ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY (Vol. 244).

By: S. Tallury, M. Pasquinelli & R. Spontak

Source: ORCID
Added: December 6, 2018

2012 journal article

Erratum: The soft-confined method for creating molecular models of amorphous polymer surfaces (Journal of Physical Chemistry B (2012) 116:5 (1570-1578))

Journal of Physical Chemistry B, 116(8), 2633–2633.

By: H. Liu, Y. Li, W. Krause, O. Rojas & M. Pasquinelli

Source: ORCID
Added: December 6, 2018

2012 journal article

Experimental and computational study of the effect of alcohols on the solution and adsorption properties of a nonionic symmetric triblock copolymer

Journal of Physical Chemistry B, 116(4), 1289–1298.

By: X. Liu, F. He, C. Salas, M. Pasquinelli, J. Genzer & O. Rojas

Source: ORCID
Added: December 6, 2018

2012 book

In silico strategies for modeling stereoselective metabolism of pyrethroids

ACS Symposium Series (Vol. 1099, pp. 245–269). American Chemical Society (ACS).

By: D. Chang, M. Goldsmith, R. Tornero-Velez, Y. Tan, C. Grulke, L. Chen, E. Ulrich, A. Lindstrom ...

Source: ORCID
Added: December 6, 2018

2012 journal article

Mesoscopic simulations of the phase behavior of aqueous eO 19PO 29EO 19 solutions confined and sheared by hydrophobic and hydrophilic surfaces

ACS Applied Materials and Interfaces, 4(1), 87–95.

By: H. Liu, Y. Li, W. Krause, M. Pasquinelli & O. Rojas

Sources: NC State University Libraries, ORCID
Added: August 6, 2018

2012 chapter

Molecular Dynamics Simulations of Nano-Bio Materials

In Encyclopedia of Nanotechnology (pp. 1454–1463). Springer, Dordrecht.

By: M. Pasquinelli & Y. Yingling

Source: ORCID
Added: December 6, 2018

2012 journal article

Molecular dynamics simulations of interactions between polyanilines in their inclusion complexes with β-cyclodextrins

Journal of Physical Chemistry B, 116(7), 2023–2030.

By: S. Tallury, M. Smyth, E. Cakmak & M. Pasquinelli

Sources: NC State University Libraries, ORCID
Added: August 6, 2018

2012 book

Molecular dynamics simulations of the thermal stability of crystalline cellulose surfaces coated with oleic acid

ACS Symposium Series (Vol. 1107, pp. 191–208). American Chemical Society (ACS).

By: M. Quddus, O. Rojas & M. Pasquinelli

Source: ORCID
Added: December 6, 2018

2012 article

Molecular dynamics simulations of the thermal stability of crystalline cellulose surfaces coated with oleic acid

na.

By: M. Quddus, O. Rojas & M. Pasquinelli

Source: ORCID
Added: December 6, 2018

2012 conference paper

Molecular dynamics simulations of the thermal stability of oleic acid films on a crystalline cellulose surface

In ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY (Vol. 243).

By: M. Quddus, O. Rojas & M. Pasquinelli

Source: ORCID
Added: December 6, 2018

2012 conference paper

Multiscale simulations of the adsorption of aqueous PEOnPPOmPEOn triblock copolymers onto hydrophobic and hydrophilic polymer surfaces

In ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY (Vol. 244).

By: M. Pasquinelli, F. He, H. Liu & O. Rojas

Source: ORCID
Added: December 6, 2018

2012 journal article

The soft-confined method for creating molecular models of amorphous polymer surfaces

The Journal of Physical Chemistry B, 116(5), 1570–1578.

By: H. Liu, Y. Li, W. Krause, O. Rojas & M. Pasquinelli

Sources: NC State University Libraries, ORCID
Added: August 6, 2018

2011 journal article

Adapting visual-analytical tools for the exploration of structural and dynamical features of polymer conformations

Macromolecular Theory and Simulations, 20(4), 286–298.

By: S. Thakur & M. Pasquinelli

Sources: NC State University Libraries, ORCID
Added: August 6, 2018

2011 conference paper

Integrating computing into thermodynamics: Lessons learned

In ASEE Annual Conference and Exposition, Conference Proceedings.

By: M. Pasquinelli & J. Joines

Source: ORCID
Added: December 6, 2018

2011 conference paper

MD study of adhesion on crystalline cellulose

In TAPPI International Conference on Nanotechnology for Renewable Materials 2011 (pp. 722–745).

By: M. Quddus, M. Pasquinelli & O. Rojas

Source: ORCID
Added: December 6, 2018

2011 journal article

MODELING THE INTERFACIAL PHENOMENA OF POLYMER-SWCNT INTERACTIONS VIA MOLECULAR DYNAMICS SIMULATIONS

Polymer Preprints, 52(1), 303.

By: S. Tallury & M. Pasquinelli

Source: ORCID
Added: December 6, 2018

2011 journal article

Mesoscopic simulations of the phase behavior of aqueous EO19PO29EO19 solutions confined and sheared by hydrophobic and hydrophilic surfaces

ACS Applied Materials & Interfaces, 4(1), 87–95.

By: H. Liu, Y. Li, W. Krause, M. Pasquinelli & O. Rojas

Source: ORCID
Added: December 6, 2018

2011 journal article

Unexpected Results from the Comparison of Solid-State Conformations and 13C NMR Spectra of Poly (trimethylene terephthalate) and Its Model Compounds

Macromolecules, 44(17), 7050–7055.

By: N. Vasanthan, J. White, G. Gyanwali, I. Shin, J. Majikes, M. Pasquinelli, A. Tonelli

Sources: NC State University Libraries, ORCID
Added: August 6, 2018

2010 conference paper

A Systematic Study of Noncovalent Interactions Between Polymers and Carbon Nanotubes via Molecular Dynamics Simulations

In APS Meeting Abstracts.

By: M. Pasquinelli & S. Tallury

Source: ORCID
Added: December 6, 2018

2010 journal article

Effect of aliphatic segment length on nylon-SWCNT interactions via molecular dynamics simulations

Polymer Preprints, 51(1), 207.

By: S. Tallury & M. Pasquinelli

Source: ORCID
Added: December 6, 2018

2010 conference paper

Effect of cellulose surface orientation on contaminant adhesion studied by molecular dynamics simulation

In ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY (Vol. 239).

By: M. Quddus, O. Rojas & M. Pasquinelli

Source: ORCID
Added: December 6, 2018

2010 conference paper

Exploration of polymer conformational similarities in polymer-carbon nanotube interfaces

In Proceedings of the IEEE SoutheastCon 2010 (SoutheastCon) (pp. 320–323). Institute of Electrical and Electronics Engineers (IEEE).

By: S. Thakur, S. Tallury & M. Pasquinelli

Source: ORCID
Added: December 6, 2018

2010 journal article

Molecular dynamics simulations of flexible polymer chains wrapping single-walled carbon nanotubes

Journal of Physical Chemistry B, 114(12), 4122–4129.

By: S. Tallury & M. Pasquinelli

Sources: NC State University Libraries, ORCID
Added: August 6, 2018

2010 journal article

Molecular dynamics simulations of polymers with stiff backbones interacting with single-walled carbon nanotubes

Journal of Physical Chemistry B, 114(29), 9349–9355.

By: S. Tallury & M. Pasquinelli

Sources: NC State University Libraries, ORCID
Added: August 6, 2018

2010 conference paper

Visual-Analytical Exploration of the Microstructure of Polymer-Based Nanomaterials

By: M. Pasquinelli & S. Thakur

Source: ORCID
Added: December 6, 2018

2009 conference paper

Data vases: 2d and 3d plots for visualizing multiple time series

In International Symposium on Visual Computing (pp. 929–938).

By: S. Thakur & T. Rhyne

Source: ORCID
Added: December 6, 2018

2009 conference paper

Molecular dynamics simulations of nanocomposites comprised of single-walled carbon nanotubes in various polymer environments

In ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY (Vol. 237).

By: M. Pasquinelli & S. Tallury

Source: ORCID
Added: December 6, 2018

2009 conference paper

Molecular simulations of the interfacial characteristics of polymer nanocomposites

In IMETI 2009 - 2nd International Multi-Conference on Engineering and Technological Innovation, Proceedings (Vol. 1).

By: M. Pasquinelli & S. Tallury

Source: ORCID
Added: December 6, 2018

2009 book

Visualization of the molecular dynamics of polymers and carbon nanotubes

Lecture Notes in Computer Science (including subseries Lecture Notes in Artificial Intelligence and Lecture Notes in Bioinformatics) (Vol. 5876 LNCS, pp. 129–139). Springer Science \mathplus Business Media.

By: S. Thakur, S. Tallury, M. Pasquinelli & T. Rhyne

Source: ORCID
Added: December 6, 2018

2009 conference paper

Visualization of the molecular dynamics of polymers and carbon nanotubes

In International Symposium on Visual Computing (pp. 129–139).

By: S. Thakur, S. Tallury, M. Pasquinelli & T. Rhyne

Source: ORCID
Added: December 6, 2018

2008 journal article

Computational Molecular Modeling for evaluating the toxicity of environmental chemicals: Prioritizing bioassay requirements

Environmental Health Perspectives, 116(5), 573–576.

By: J. Rabinowitz, M. Goldsmith, S. Little & M. Pasquinelli

Sources: NC State University Libraries, ORCID
Added: August 6, 2018

2008 conference paper

Using student owned computing and tablet PCs to teach engineering problem solving using Excel and VBA to Textile Students

In Proceedings of the Textiles Futures Conference.

By: J. Joines & M. Pasquinelli

Source: ORCID
Added: December 6, 2018

2007 conference paper

CELL 68-Molecular dynamics simulation during shear in fiber processing

In ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY (Vol. 233, pp. 744–744).

By: H. Liu, W. Krause, J. Hinestroza, M. Pasquinelli & O. Rojas

Source: ORCID
Added: December 6, 2018

2007 journal article

Protein phosphorylation and intermolecular electron transfer: A joint experimental and computational study of a hormone biosynthesis pathway

Journal of the American Chemical Society, 129(14), 4206–4216.

By: A. Zöllner, M. Pasquinelli, R. Bernhardt & D. Beratan

Sources: NC State University Libraries, ORCID
Added: August 6, 2018

2007 journal article

Protein phosphorylation and intermolecular electron transfer: a joint experimental and computational study of a hormone biosynthesis pathway

Journal of the American Chemical Society, 129(14), 4206–4216.

By: A. Zöllner, M. Pasquinelli, R. Bernhardt & D. Beratan

Source: ORCID
Added: December 6, 2018

2006 journal article

Binding of Warfarin Influences the Acid-Base Equilibrium of H242 in Sudlow Site I of Human Serum Albumin

Photochemistry and Photobiology, 82(5), 1365.

By: J. Perry, M. Goldsmith, T. Williams, K. Radick, T. Christenson, J. Gorham, M. Pasquinelli, E. Toone ...

Sources: NC State University Libraries, ORCID
Added: August 6, 2018

2006 journal article

Binding of Warfarin Influences the Acid-Base Equilibrium of H242 in Sudlow Site I of Human Serum Albumin

Photochemistry and Photobiology, 82(5), 1365–1369.

By: J. Perry, M. Goldsmith, T. Williams, K. Radack, T. Christensen, J. Gorham, M. Pasquinelli, E. Toone, D. Beratan, J. Simon

Source: ORCID
Added: December 6, 2018

2003 conference paper

Modeling the consequences of disorder on the photophysics of conjugated polymers: Do excitons and charges see the same disorder?

In ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY (Vol. 226, pp. U290–U291).

By: D. Yaron, M. Pasquinelli & L. Liu

Source: ORCID
Added: December 6, 2018

2003 journal article

Quantum chemical investigation of biexcitons in conjugated polymers

The Journal of Chemical Physics, 118(17), 8082–8092.

By: M. Pasquinelli & D. Yaron

Source: ORCID
Added: December 6, 2018

2003 conference paper

Theoretical studies of the effects of phosphorylation on protein electron transfer chains

In BIOPHYSICAL JOURNAL (Vol. 84, pp. 149A–150A).

By: M. Pasquinelli & D. Beratan

Source: ORCID
Added: December 6, 2018

2002 thesis

An Effective Particle Approach to the Photophysics of Conjugated Polymers

Ph. D. Thesis, Carnegie Mellon University.

By: M. Pasquinelli

Source: ORCID
Added: December 6, 2018

2002 journal article

Quantum chemical investigation of biexcitons in conjugated polymers

Journal of Chemical Physics, 118(17), 8082.

By: M. Pasquinelli & D. Yaron

Sources: NC State University Libraries, ORCID
Added: August 6, 2018

2001 conference paper

Understanding Exciton Motion in Disordered Conjugated Polymers via Energy Landscapes Derived from Quantum Chemistry

In APS March Meeting Abstracts.

By: M. Pasquinelli & D. Yaron

Source: ORCID
Added: December 6, 2018

1999 journal article

Energy landscapes for effective particles in conjugated polymers

Synthetic Metals, 101(1-3), 518–519.

By: M. Pasquinelli & D. Yaron

Sources: NC State University Libraries, ORCID
Added: August 6, 2018

journal article

Environmental health perspectives Volume: 116 ISSN: 0091-6765 ISO Abbreviation: Environ. Health Perspect. Publication Date: 2008 May

Rabinowitz, J. R., Goldsmith, M.-R., Little, S. B., & Pasquinelli, M. A. Detail:

By: J. Rabinowitz, M. Goldsmith, S. Little & M. Pasquinelli

Source: ORCID
Added: December 6, 2018

journal article

Integrating Experiments and Molecular Dynamics Simulations to Understand the Degradation Mechanisms of Bioresorbable Fibers

Vaid, R., Pasquinelli, M. A., & King, M. W.

By: R. Vaid, M. Pasquinelli & M. King

Source: ORCID
Added: December 6, 2018

journal article

Molecular simulations of the interfacial characteristics of polymer nanocomposites

PASQUINELLI, M. A., & TALLURY, S. S.

By: M. Pasquinelli & S. Tallury

Source: ORCID
Added: December 6, 2018

journal article

Quasistatic and Continuous Dynamic Mechanical Behavior of Bicomponent Fibers

Tallury, S. S., Pasquinelli, M. A., Pourdeyhimi, B., Spontak, R. J., & Basu, S.

By: S. Tallury, M. Pasquinelli, B. Pourdeyhimi, R. Spontak & S. Basu

Source: ORCID
Added: December 6, 2018

journal article

Virtual Screening for Endocrine Disrupting Compounds

Pasquinelli, M. A., Little, S., Laws, S., & Rabinowitz, J. Target, 1(2), 3.

By: M. Pasquinelli, S. Little, S. Laws & J. Rabinowitz

Source: ORCID
Added: December 6, 2018

Employment

2017 - present

North Carolina State University Raleigh, NC, US
Professor Textile Engineering, Chemistry and Science

2016 - present

North Carolina State University Raleigh, NC, US
Associate Department Head and Director of Graduate Programs Dept. of Textile Engineering, Chemistry, and Science

2015 - 2018

North Carolina State University Raleigh, NC, US
Associate Director Analytical Instrumentation Facility

2012 - 2017

North Carolina State University Raleigh, NC, US
Associate Professor Fiber and Polymer Science Program, Dept. of Textile Engineering, Chemistry, and Science

2015 - 2017

Royal Society of Chemistry London, London, GB
Associate Editor RSC Advances Journal

2006 - 2012

North Carolina State University Raleigh, NC, US
Assistant Professor Fiber and Polymer Science Program, Dept. of Textile Engineering, Chemistry, and Science

2004 - 2006

U.S. Environmental Protection Agency Research Triangle Park, NC, US
Computational Chemist/Postdoc National Center for Computational Toxicology

2002 - 2004

Duke University Durham, NC, US
Sloan Postdoctoral Fellow Chemistry

Education

1996 - 2002

Carnegie Mellon University Pittsburgh, PA, US
Ph.D. Chemistry

1992 - 1996

Seton Hill University Greensburg, PA, US
B.S., Chemistry Chemistry