Crystal structures of two molecules with small chemical structure difference

INTERACTION OF PROTEINS WITH SMALL MOLECULES

Structure-Property Relationships in Crystal Structures of Molecules with Non- Centrosymmetric Polymorphs

The current interest in the mechanics of crystal structure assembly stems from extensive efforts towards the capability to design or predict crystal structures. This project focuses on the particular feature of noncentrosymmetry in some crystal structures and specifically the assembly of non-centrosymmetric structures by both chiral and achiral molecular systems. To give added focus, a collecti...

An efficient finite difference time domain algorithm for band structure calculations of Phononic crystal

In this paper, a new algorithm for studying elastic wave propagation in the phononic crystals is presented. At first, the displacement-based forms of elastic wave equations are derived and then the forms are discretized using finite difference method. So the new algorithm is called the displacement-based finite difference time domain (DBFDTD). Three numerical examples are computed with this met...

Dixon and Chimera: Two methods for fast separation of PFC compounds with small chemical shift difference

Introduction Perfluorocarbon (PFC) emulsions have been widely used for cell tracking studies [1,2] and many other biological applications [3]. In contrast to conventional H contrast agents, F markers provide unambiguous signal in vivo due to the low natural abundance of fluorine in living organisms. Furthermore, fluorine markers can possess a unique spectral signal, a further advantage of F MR....

P122: Small Molecules as Chemical and Pharmacological Tools for Neuroinflammatory Diseases Treatment (with Emphasis on Multiple Sclerosis)

Multiple Sclerosis (MS) is a neuroinflammatory disease resulting in degeneration of the myelin sheaths and death of oligodendrocytes. So far, several strategies have been introduced to control the disease. Treatment with small molecules is one of the strategies that have recently attracted the attention in the scientific community. These molecules that target epigenetic and other cellular proce...