All Stories

  1. Understanding the formation of insoluble gel particles during cellulose diacetate production

    Article • Cellulose, February 2024, Springer Science + Business Media

    Dr Melissa A Pasquinelli

  2. Temporal evolution of the behavior of absorbed moisture in a damaged polymer-quartz composite: A molecular dynamics study

    Article • Computational Materials Science, November 2022, Elsevier

    Dr Melissa A Pasquinelli

  3. Molecular Modeling Study of the Genotoxicity of the Sudan I and Sudan II Azo Dyes and Their Metabolites

    Article • Frontiers in Chemistry, June 2022, Frontiers

    Dr Melissa A Pasquinelli

  4. Molecular Insights into the Interfacial Properties of Cellulose Surfaces with Varying Types of Ionic Liquid Epoxies

    Article • ACS Applied Polymer Materials, May 2022, American Chemical Society (ACS)

    Dr Melissa A Pasquinelli

  5. Multiscale Constitutive Modeling of the Mechanical Properties of Polypropylene Fibers from Molecular Simulation Data

    Article • Macromolecules, January 2022, American Chemical Society (ACS)

    Dr Melissa A Pasquinelli

  6. Microplastic and Nanoplastic Pollution: Characterization, Transport, Fate, and Remediation Strategies

    Article • Frontiers of Environmental Science & Engineering, January 2022, Springer Science + Business Media

    Dr Melissa A Pasquinelli

  7. Hydrolytic Degradation of Polylactic Acid Fibers as a Function of pH and Exposure Time

    Article • Molecules, December 2021, MDPI AG

    Dr Melissa A Pasquinelli

  8. Cyclization kinetics of gel‐spun polyacrylonitrile/aldaric‐acid sugars using the isoconversional approach

    Article • Journal of Applied Polymer Science, October 2021, Wiley

    Dr Melissa A Pasquinelli

  9. Effects of Ionic Liquid Nanoconfinement on the CO2/CH4 Separation in Poly(vinylidene fluoride)/1-Ethyl-3-methylimidazolium Thiocyanate Membranes

    Article • ACS Applied Materials & Interfaces, September 2021, American Chemical Society (ACS)

    Dr Melissa A Pasquinelli

  10. Process–Property Relationships for Melt-Spun Poly(lactic acid) Yarn

    Article • ACS Omega, June 2021, American Chemical Society (ACS)

    Dr Melissa A Pasquinelli

  11. Ammonia Sensing Performance of Polyaniline-Coated Polyamide 6 Nanofibers

    Article • ACS Omega, March 2021, American Chemical Society (ACS)

    Dr Melissa A Pasquinelli

  12. Solution size variation of linear and dendritic bis-MPA analogs using DOSY-1H NMR

    Article • Polymer Chemistry, January 2021, Royal Society of Chemistry

    Dr Melissa A Pasquinelli

  13. Exploring secondary interactions and the role of temperature in moisture-contaminated polymer networks through molecular simulations

    Article • Soft Matter, January 2021, Royal Society of Chemistry

    Dr Melissa A Pasquinelli

  14. Correction: Exploring secondary interactions and the role of temperature in moisture-contaminated polymer networks through molecular simulations

    Article • Soft Matter, January 2021, Royal Society of Chemistry

    Dr Melissa A Pasquinelli

  15. Network topology and stability of homologous multiblock copolymer physical gels

    Article • The Journal of Chemical Physics, September 2020, American Institute of Physics

    Richard Spontak, Dr Melissa A Pasquinelli

  16. X‐ray photoelectron spectroscopy study on the photodegradation of copolyester model compounds

    Article • Journal of Applied Polymer Science, July 2020, Wiley

    Dr Melissa A Pasquinelli

  17. Synthesis and Characterization of a Leucine-Based Block Co-Polypeptide: The Effect of the Leucine Zipper on Self-Assembly

    Article • Biomacromolecules, May 2020, American Chemical Society (ACS)

    Dr Melissa A Pasquinelli

  18. Physical Characterization of Inclusion Complexes of Triphenyl Phosphate and Cyclodextrins in Solution

    Article • The Journal of Physical Chemistry B, January 2020, American Chemical Society (ACS)

    Dr Melissa A Pasquinelli

  19. Interfacial characteristics of a carbon nanotube-polyimide nanocomposite by molecular dynamics simulation

    Article • Nanotechnology Reviews, January 2020, De Gruyter

    Dr Melissa A Pasquinelli

  20. Bioresorbable Polymers for Surgical Suture Applications

    Article • January 2020, Elsevier

    Dr Melissa A Pasquinelli

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

    Article • ACS Applied Polymer Materials, October 2019, American Chemical Society (ACS)

    Dr Melissa A Pasquinelli

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

    Article • Journal of Applied Polymer Science, July 2019, Wiley

    Dr Melissa A Pasquinelli

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

    Article • Macromolecules, May 2019, American Chemical Society (ACS)

    Dr Melissa A Pasquinelli

  24. Photodegradation of copolyester films: A mechanistic study

    Article • Journal of Applied Polymer Science, October 2018, Wiley

    Dr Melissa A Pasquinelli

  25. Thermoplastic Elastomer Systems Containing Carbon Nanofibers as Soft Piezoresistive Sensors

    Article • ACS Omega, October 2018, American Chemical Society (ACS)

    Dr Melissa A Pasquinelli

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

    Article • Macromolecules, July 2018, American Chemical Society (ACS)

    Dr Melissa A Pasquinelli

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

    Article • The Journal of Chemical Physics, June 2018, American Institute of Physics

    Dr Melissa A Pasquinelli

  28. Complex Phase Behavior and Network Characteristics of Midblock-Solvated Triblock Copolymers as Physically Cross-Linked Soft Materials

    Article • ACS Applied Materials & Interfaces, November 2017, American Chemical Society (ACS)

    Dr Melissa A Pasquinelli

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

    Article • Soft Matter, January 2017, Royal Society of Chemistry

    Dr Melissa A Pasquinelli

  30. Macromol. Rapid Commun. 22/2016

    Article • Macromolecular Rapid Communications, November 2016, Wiley

    Dr Melissa A Pasquinelli

  31. Synthetic Design of Polyester Electrolytes Guided by Hydrophobicity Calculations

    Article • Macromolecules, October 2016, American Chemical Society (ACS)

    Dr Melissa A Pasquinelli

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

    Article • Macromolecular Rapid Communications, October 2016, Wiley

    Dr Melissa A Pasquinelli

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

    Article • ACS Applied Materials & Interfaces, June 2016, American Chemical Society (ACS)

    Dr Melissa A Pasquinelli

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

    Article • Frontiers in Bioengineering and Biotechnology, January 2016, Frontiers

    Dr Melissa A Pasquinelli

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

    Article • Journal of Materials Chemistry A, January 2016, Royal Society of Chemistry

    Dr Melissa A Pasquinelli

  36. Molecular Dynamics Simulations of Nano-biomaterials

    Article • January 2016, Springer Science + Business Media

    Dr Melissa A Pasquinelli

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

    Article • Macromolecules, October 2015, American Chemical Society (ACS)

    Dr Melissa A Pasquinelli

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

    Article • Polymer Degradation and Stability, October 2015, Elsevier

    Dr Melissa A Pasquinelli

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

    Article • The Journal of Chemical Physics, December 2014, American Institute of Physics

    Dr Melissa A Pasquinelli

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

    Article • The Journal of Chemical Physics, October 2014, American Institute of Physics

    Dr Melissa A Pasquinelli

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

    Article • The Journal of Chemical Physics, September 2014, American Institute of Physics

    Dr Melissa A Pasquinelli

  42. Molecular Dynamics Simulations of the Adhesion of a Thin Annealed Film of Oleic Acid onto Crystalline Cellulose

    Article • Biomacromolecules, April 2014, American Chemical Society (ACS)

    Dr Melissa A Pasquinelli

  43. Molecular dynamics simulations of the effect of the volume fraction on unidirectional polyimide–carbon nanotube nanocomposites

    Article • Carbon, February 2014, Elsevier

    Dr Melissa A Pasquinelli

  44. Conjugated Polymer Assemblies on Carbon Nanotubes

    Article • Macromolecules, January 2014, American Chemical Society (ACS)

    Dr Melissa A Pasquinelli

  45. Molecular Dynamics Simulations for Predicting Surface Wetting

    Article • AIMS Materials Science, January 2014, American Institute of Mathematical Sciences (AIMS)

    Dr Melissa A Pasquinelli

  46. Molecular Dynamics Simulations for Predicting Surface Wetting

    Article • AIMS Materials Science, January 2014, American Institute of Mathematical Sciences (AIMS)

    Dr Melissa A Pasquinelli

  47. The Soft-Confined Method for Creating Molecular Models of Amorphous Polymer Surfaces

    Article • The Journal of Physical Chemistry, March 2012, American Chemical Society (ACS)

    Dr Melissa A Pasquinelli

  48. Molecular Dynamics Simulations of Interactions between Polyanilines in Their Inclusion Complexes with β-Cyclodextrins

    Article • The Journal of Physical Chemistry, February 2012, American Chemical Society (ACS)

    Dr Melissa A Pasquinelli

  49. The Soft-Confined Method for Creating Molecular Models of Amorphous Polymer Surfaces

    Article • The Journal of Physical Chemistry, February 2012, American Chemical Society (ACS)

    Dr Melissa A Pasquinelli

  50. Experimental and Computational Study of the Effect of Alcohols on the Solution and Adsorption Properties of a Nonionic Symmetric Triblock Copolymer

    Article • The Journal of Physical Chemistry, February 2012, American Chemical Society (ACS)

    Dr Melissa A Pasquinelli

  51. Mesoscopic Simulations of the Phase Behavior of Aqueous EO 19 PO 29 EO 19 Solutions Confined and Sheared by Hydrophobic and Hydrophilic Surfaces

    Article • ACS Applied Materials & Interfaces, January 2012, American Chemical Society (ACS)

    Dr Melissa A Pasquinelli

  52. In Silico Strategies for Modeling Stereoselective Metabolism of Pyrethroids

    Article • January 2012, American Chemical Society (ACS)

    Dr Melissa A Pasquinelli

  53. Molecular Dynamics Simulations of the Thermal Stability of Crystalline Cellulose Surfaces Coated with Oleic Acid

    Article • January 2012, American Chemical Society (ACS)

    Dr Melissa A Pasquinelli

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

    Article • Macromolecules, September 2011, American Chemical Society (ACS)

    Dr Melissa A Pasquinelli

  55. Adapting Visual-Analytical Tools for the Exploration of Structural and Dynamical Features of Polymer Conformations

    Article • Macromolecular Theory and Simulations, April 2011, Wiley

    Dr Melissa A Pasquinelli

  56. Molecular Dynamics Simulations of Polymers with Stiff Backbones Interacting with Single-Walled Carbon Nanotubes

    Article • The Journal of Physical Chemistry, July 2010, American Chemical Society (ACS)

    Dr Melissa A Pasquinelli

  57. Molecular Dynamics Simulations of Flexible Polymer Chains Wrapping Single-Walled Carbon Nanotubes

    Article • The Journal of Physical Chemistry, April 2010, American Chemical Society (ACS)

    Dr Melissa A Pasquinelli

  58. Exploration of polymer conformational similarities in polymer-carbon nanotube interfaces

    Article • March 2010, Institute of Electrical & Electronics Engineers (IEEE)

    Dr Melissa A Pasquinelli

  59. Visualization of the Molecular Dynamics of Polymers and Carbon Nanotubes

    Article • January 2009, Springer Science + Business Media

    Dr Melissa A Pasquinelli

  60. Computational Molecular Modeling for Evaluating the Toxicity of Environmental Chemicals: Prioritizing Bioassay Requirements

    Article • Environmental Health Perspectives, February 2008, Environmental Health Perspectives

    Dr Melissa A Pasquinelli

  61. Protein Phosphorylation and Intermolecular Electron Transfer:  A Joint Experimental and Computational Study of a Hormone Biosynthesis Pathway

    Article • Journal of the American Chemical Society, April 2007, American Chemical Society (ACS)

    Dr Melissa A Pasquinelli

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

    Article • Photochemistry and Photobiology, January 2006, Wiley

    Dr Melissa A Pasquinelli

  63. Quantum chemical investigation of biexcitons in conjugated polymers

    Article • The Journal of Chemical Physics, May 2003, American Institute of Physics

    Dr Melissa A Pasquinelli

  64. Energy landscapes for effective particles in conjugated polymers

    Article • Synthetic Metals, May 1999, Elsevier

    Dr Melissa A Pasquinelli