Chemistry


Computer Simulations to Understand Disease Mechanisms

ID: 3390
School: School of Science, Technology, Accessibility, Mathematics, and Public Health
Program: Chemistry
Status: Ongoing
Start date: September 2016

Description

This project utilizes multiscale computer simulation methods to understand Mendelian disease mechanisms at the molecular level. Computer simulations use the tools of math and physics to solve problems in chemistry, biology, and medicine. Mendalian diseases are monogenic disorders caused by a variation in one gene and sometimes run in families. In general, these are rare genetic disorders with no cure. Our approach is to understand how a single variation in a single gene can cause a disease at the molecular level. This is done by simulations of the natural and variant proteins and comparing various properties. Once we understand the effects of single variations, our next step is to possibly design drugs to reverse the harmful effects. Currently, computer simulations are being run in our HPC Limulus supercomputer, as well as Clemson Palmetto Supercomputing cluster through our collaboration.

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Approved Products

2017

Kucukkal, T. G. (2017). A Whone New Virtual World: Computational Chemistry. Presented at Gallaudet University Research Expo, Washington, DC.

Kucukkal, T. G. (2017). Effects of Rett Syndrome Mutations on MeCP2 Stability and Binding to DNA. Presented at International Conference on GEnomic Medicine, Baltimore, MD.


Synthesis of bismuth telluride nanomaterials

ID: 2551
School: School of Science, Technology, Accessibility, Mathematics, and Public Health
Program: Chemistry
Status: Ongoing
Start date: May 2015
End Date: August 2024

Description

To synthesize nanomaterials of bismuth telluride using chemical exfoliation method. We have successfully used chemical exfoliation to prepare molybdenum disulfide nanomaterials and films. We wanted to see if the same approach could be applied to bulk bismuth telluride to prepared thin films (2-dimensional materials). Bismuth telluride has been shown to exhibit interesting thermoelectric properties that convert heat to electricity. The goal of this project is to design a method for producing bismuth telluride films on silicon wafers. The films will be analyzed using Scanning Electron Microscopy (SEM), optical microscopy and Raman spectroscopy. We are also interested in studying the depth and density of deposited bismuth telluride films on silicon wafers.

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Approved Products

2015

Marceaux, B., Snyder, H. D., Sabila, P. S., & Huber, T. (2015, August). Exfoliation of Bismuth Telluride (Bi2Te3). Presented at the Centre for Information Quality Management Research Convocation, MIT, Boston, MA.