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Dr. Melissa
A. Pasquinelli
Assistant Professor
TECS
Phone:919-515-9426
Email: Melissa_Pasquinelli@ncsu.edu
Address: 2401 Research Drive
Room: 3324
Personal Website
Courses
Research Interests
Education
Current Students
Organizations
Biography
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Most Recent
Publications:
| 1. |
Rabinowitz, J.R., Goldsmith, M.R., Little, S.B., & Pasquinelli, M.A..
(2008, May).
Computational Molecular Modeling for Evaluating the Toxicity of Environmental Chemicals: Prioritizing Bioassay Requirements
Environmental Health Perspectives
, 116
(pp. 573-577).
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| 2. |
Zoellner, A., Pasquinelli, M. A., Bernhardt, R., & Beratan, D.N..
(2007, April).
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)
(pp. 4206).
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| 3. |
Perry, J.L., Goldsmith, M.R., Williams, T.R., Radick, K., Christenson, T., Gorham, J., Pasquinelli, M.A., Toone, E.J., Beratan, D.N., & Simon, J.D..
(2006).
Binding of Warfarin Influences the Acid-Base Equilibrium of H242 in Sudlow Site I of Human Serum Albumin
Photochemistry and Photobiology
, 82
(pp. 1365-1369).
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| 4. |
Pasquinelli, M.A..
(2002, May).
An Effective Particle Approach to the Photophysics of Conjugated Polymers
Doctoral Dissertation
Pittsburgh, PA
: Carnegie Mellon University.
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| 5. |
Pasquinelli, M.A., & Yaron, D..
(2002).
Quantum Chemical Investigation of Biexcitons in Conjugated Polymers
J. Chem. Phys.
, 118
(17)
(pp. 8082).
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Courses:
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FALL 2009:
SPRING 2009:
OTHER:
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Research Interests:
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The focus of our research is to design and utilize a variety of multiscale simulation tools at the molecular to mesoscopic scales for applications in nanotechnology, textiles, biomedical engineering, and toxicology. These multiscale modeling tools relate the physical and chemical interactions of molecules such as polymers and proteins to
- their functional properties, including biological, electrical, mechanical, biocompatible, and toxicological; and
- their role in processes, such as molecular recognition and self-assembly mechanisms.
Example projects:
- Interfacial properties of bicomponent fibers and textile-soil systems
- Polymer nanocomposites reinforced with carbon nanotubes
- Confinement effects on polymer structure and properties
- Nanostructured materials for energy applications
- Software tools for deriving structure-property relationships
- Effects of nanomaterials on human health
Community of Science Profile: http://myprofile.cos.com/melissap
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Current Students:
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Postdoctoral Fellows:
Ph.D. Students:
- Mir Quddus, Fiber and Polymer Science/Wood and Paper Science
- Syamal Tallury, Fiber and Polymer Science
- Currently seeking qualified people! Please contact me if interested.
Masters Students:
- Feng He, Chemical Engineering
Undergraduate Students:
- Joe He, Chemical Engineering/Biochemistry (2006-present)
- Currently seeking qualified people! Please contact me if interested.
Other:
Former Group Members:
- Denys Bashtovyy, Postdoc, Biophysics (2007)
- Lauren Deese, Undergraduate, Chemistry and Polymer and Color Chemistry (Summer 2008)
- Danae Edmonds, EnvironMentors Program (2008)
- Nick Garner, Undergraduate, Textile Engineering and Polymer and Color Chemistry (Summer 2008)
- Alex Ray, Textile Engineering/Computer Science (2007-2008)
- Debbie White, Undergraduate, Textile Engineering (Summer 2008)
- Allison Townes, High School Student, American Chemical Society Project SEED Program (Summer 2007)
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Education:
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Postdoctoral Fellow, National Center for Computational Toxicology, U.S. Environmental Protection Agency, RTP, NC
Sloan Postdoctoral Fellow, Department of Chemistry, Duke University, Durham, NC
Ph.D., Department of Chemistry, Carnegie Mellon University, Pittsburgh, PA
B.S., Chemistry, Seton Hill University, Greensburg, PA
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Organizations:
- American Chemical Society [1993-present]
- Society of Women Environmental Professionals [2006-present]
- Society of Toxicology [2005-present]
- Biophysical Society [2002-2008]
- Sigma Xi [2005-2009]
- American Association for the Advancement of Science [2004-2006]
- American Physical Society [1999-2002]
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Biography:
Dr. Melissa Pasquinelli's research expertise is in the design and application of computational approaches that predict and modulate the properties of polymers, proteins, carbon-based nanostructures, and fibers. Recently, her research group has been focusing on interfacial characteristics in multicomponent systems. In addition, she is working on methods to predict the potential adverse health effects of nanotechnologies.
Prior to joining NC State, Dr. Pasquinelli worked for two years as a Computational Chemist with the Office of Research and Development at the U.S. Environmental Protection Agency in Research Triangle Park, where her research focused on the development of molecular modeling techniques to address problems in risk assessment. While at the EPA, she designed computational strategies for high-throughput evaluation of chemical toxicity of environmental chemicals, such as the impact of endocrine disrupting compounds on human health. She received postdoctoral training at Duke University, where she developed computational tools for predicting electron transfer rates in dynamically modified protein complexes, and was awarded a prestigious postdoctoral fellowship from the Sloan Foundation for this work.
In 2002, she received her Ph.D. in theoretical chemistry from Carnegie Mellon University. Her thesis research explored structure-property relationships for conjugated polymers, and she devised an effective particle model that embodies the relevant photophysics for the design of devices made from these organic semiconductors. She received her B.S. in chemistry with honors in 1996 from Seton Hill University in Greensburg, PA. She is originally from Saint Marys, PA, which is near the beautiful Allegheny National Forest.
In her spare time, Dr. Pasquinelli enjoys exploring the outdoors; playing cards; listening to music; practicing yoga/pilates; doing community outreach; and spending time with her family, friends, and pets.
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