Seminars

Abstract: Using molecular dynamics (MD) simulations to study the kinetics of drug unbinding is a desirable but difficult task primarily due to the extremely long timescales involved. Recent progress in enhanced sampling methods including the development of new sampling approaches makes it possible to address this and a range of related problems with full atomistic resolution reaching timescales previously unattainable in MD simulations. In this talk I will summarize the key principles behind these approaches.

Abstract: New competitive technologies should be developed to deal with the country’s emerging problems in healthcare environmental agriculture energy and security sectors to benefit a broad spectrum of society while using minimal resources. Multifunctional interfaces of nanomaterials can be used to tackle such glitches by developing sensors and detection devices such as biosensors explosives trace detectors mechanical-stress sensors wastewater management systems and energy storage devices owing to their nanoscopic surface properties.

Abstract: The Indian Pharmaceutical Industry is growing at a rapid pace with an expected revenue potential of USD 55 Billion by 2020. Approximately 70% of the revenue potential is expected from exports to more than 200 countries worldwide. However pharmaceutical manufacturing capabilities have not kept up with global needs in terms of technology. This is where Chemical Engineers can play a key role in sustaining the global impact of Indian Pharma.

Abstract: Laminar flow of Newtonian fluids in a tube/pipe becomes unstable at a Reynolds number ∼ 2000 but linear stability analysis predicts that the flow is always stable at all Reynolds number to infinitesimal disturbances. However when flow of viscoelastic polymer solutions is considered earlier experiments have observed all the three possibilities due to addition of the polymer: no effect a delay or an advancement in the Reynolds number for the onset of transition.

Abstract: Modern industrial chemical activities depend on computational technologies. The information supporting many process and product optimization comes from fundamental molecular simulation computations. In this talk I will briefly discuss two different applications of molecular modelling a) proton transport through perovskites b) computational investigation of novel lubricant-additives. Perovskites are ceramics with general formula ABO3.

Abstract: Membrane vesicles are often used to understand the physics of shape change in real cells. We will discuss growth of narrow membrane tubes from a vesicle. Artificial membrane tubes are commonly pulled out from phospholipid vesicles using external force through laser tweezers or processive motor proteins. Recent examples have emerged where tubes spontaneously grow from vesicles coated with bioactive filaments in the presence ATP.

Abstract: The capstone final year design project in Chemical Engineering is used to help students develop "transferable skills" which can be widely applied across the workforce. These skills include the need to work in a highly productive and efficient team that is thrown together especially for the project. It also deals with conflict that can arise within the team. These issues occur in any project team irregardless of the topic. In the first half of the seminar I will present how we provide support to these teams.

Abstract: The different modes of mass transfer are convection diffusion adsorption and reaction which are affected by the associated fluid flow. In this talk I will present analysis of different fluid dynamical systems and the related transport phenomena in membrane separation (useful for both design and operation) separation in microfluidic devices liquid crystal mediums magnetic particle separation water management in coastal aquifers adsorption based filtration and reactive flows. The analysis is based on a continuum view and laminar flows.

Abstract: Bacterial DNA is assembled within the cell with the help of a class of proteins called the Nucleoid Associated Proteins (NAPs). The Histone-like Nucleoid Structuring Protein or H-NS has been shown to be one of the major NAPs that assists in the silencing of potentially virulent genes. While a lot of knowledge on H-NS has been obtained via biochemical studies the molecular mechanisms behind its gene silencing function are not as well studied. Here I shall present the results we obtained with our biophysical study on the H-NS protein.

Abstract: The majority of cellular processes are related to physical and chemical properties of the complex lipid-protein membranes. We focus on disentangling and characterizing biomembrane processes by development of experimental in-vitro systems and methodologies. With recent advances in lipid-protein vesicle techniques we have facilitated new understanding of lipid domain (raft) formation in membranes lateral membrane protein organization the interplay between lipid membranes and active membrane proteins and the formation of tubules and spontaneous tension in asymmetric membranes.