Ph.D. Proposal Presentation: Thursday, April 17, 2014 at 1:30 P.M.
JSNN Proposal Presentation
Title: “Theoretical Modeling of Physical Processes in Low Density Lipoprotein Nanostructures.”
Ph.D. Candidate in Nanoscience at JSNN: Todor Antonijevic
Advisor: Dr. Joseph Starobin
Department of Nanoscience
The University of North Carolina at Greensboro
Joint School of Nanoscience and Nanoengineering
Thursday, 4/17/2014, 1:30 P.M.
ABSTRACT: In the United States 29% of all deaths in the year of 2002 were caused by cardiovascular disease (CVD). The same trend is observed in the world with striking increase predicted in the nearest future. It is well known that genesis and progression of atherosclerosis, which is the major cause of CVD, is affected by Low Density Lipoproteins (LDL). However, many questions related to molecular details of this particle are still unanswered. The reason for this is a complex nature of LDL particle. Even though numerous experimental attempts were carried out in the past few decades, those experiments were primarily designed to study an overall shape of the LDL and did not reveal its structural details.
The proposed research aims to analyze LDL structure and study the structural influence on physical properties of the particle by means of computer simulations. Our approach is based on theoretical statistical mechanics and modern computational molecular dynamics. We will analyze theoretically molecular interactions to identify the major statistical factors contributing to the ordering and stability of the LDL particle. Combining available experimental data with the developed statistical model will allow us to predict thermodynamic properties of LDL. Conversely, dynamical properties of the LDL particle will be investigated with the help of molecular dynamics.