Enhancement of mobility of drug molecule in polymer solution
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The incorporation of small alkyl groups, particularly methyl groups, into drug molecules has gained significant attention in the pharmaceutical industry for enhancing potency. Methylated drug molecules show increased selectivity and improved binding to specific targets, a phenomenon known as the "magic methyl effect." In our research group, we investigate the mechanisms behind this enhancement and develop innovative methods for creating new therapeutic agents through methylation. We utilize advanced theoretical techniques like Molecular Dynamics (MD) and Monte Carlo (MC) simulations to model drug behavior at the molecular level. Additionally, we conduct experimental studies using Fluorescence Correlation Spectroscopy (FCS) and Small-Angle X-ray Scattering (SAXS) to analyze molecular interactions and structural characteristics. Through this comprehensive approach, we aim to significantly advance the development of effective new pharmaceuticals.
Synthesis and delivery of polyethylene nanoparticles in E.Coli cell
Non-recycled plastic mainly consists of polyolefins, which account for about 60% of global plastic waste. Sourced largely from the packaging industry, these materials typically end up polluting marine environments and harming marine life. Comprehensive recycling is essential, as traditional methods like pyrolysis and mechanical recycling are ineffective. In my research group, we are developing a processing technique to enhance the biodegradability of these thermoplastics while minimizing energy use. The main challenges are the high crystallinity and low wettability of polyolefins, which impede biodegradation. Our novel synthesis method addresses these issues and increases the potential for biodegradation by bacterial polymerase enzymes.
This project aims to develop a complete experimental understanding of the size of metal nanoparticles in liquid dispersion, via digestive ripening (DR). At the same time, we aim to develop a theoretical understanding of the process of DR and expand its application from only noble metal [Au, Ag, Pt etc.] to other metal/metal oxide nanoparticles [Fe(III), Zn(II) etc.] considering appropriate molecular events at various time and length scales. This project aims to addresses a complete mechanistic understanding of size focusing of noble metal formation of various noble metal (Au, Ag, Pt), with different coating agent with different binding sites (Thiol, Amine, etc.), different alkane chain-length and different number of binding sites (monodentate, bidentate and tridentate), different solvent, different aging time and many more parameters into one single model that can be represented by a phase diagram. Since its inception, for the last two decades DR mechanism has been tried and tested in many systems but never been successfully used in regular metal oxides. We also aim to develop a common protocol usable for common metal/metal oxide nanoparticles.
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