Chemistry driven by delocalized molecular motions
Chemical reactions are often conceptualized by making and breaking one bond at a time. The idea of localized bond alterations inhibits intuitive thinking about the structure as a whole. The Dasgupta group is focusing on creating a theme using collective motions existing in the molecular structure to drive selective and efficient chemistry...
Single-Molecule Protein Mechanics
Single-molecule techniques are novel approaches to understand the structure-stability-function relationship of proteins, especially force spectroscopy methods in studying mechanically relevant proteins. These techniques are also useful to drive chemical reactions and bond-breakage at single-molecule/bond level to understand the reaction mechanism and get the elusive ‘transition state’ properties....
A model-free approach has been used to study the association of peptides onto multiwalled carbon nanotubes (MWCNT) in aqueous solution at ambient pH to understand the molecular basis of interaction of the peptides with MWCNT...
Supersonic Jet Spectroscopy of Weak H-bonds
Supersonic Jet Spectroscopy of molecular clusters is being used to investigate weak non-covalent interactions. Such forces play important roles in imparting structures to various biopolymers and also enable them to carry out many functions in living organisms under ordinary conditions that keep the biological systems ticking....
Deciphering the Catalytic Activity of an Orphan P450 enzyme
A systematically screened several fatty acids (saturated and monounsaturated) for their potential as substrates for CYP175A1 shows that the wild type enzyme could catalyze the reaction of mono-unsaturated fatty acids but not of saturated fatty acids...
Imaging Protein Dynamics at Work
Molecular fluorescence, when observed with a time resolution of a few picoseconds, becomes a powerful tool for revealing the ‘wiggling and jiggling’ which makes the biological world ‘living’. With the state-of-the-art laser technology available today one can observe dynamics of molecules in ultrafast timescales with high sensitivity and selectivity. …..
Rational Design of an Artificial Peroxidase
We have rationally modified the active site of this thermostable P450 to introduce a residue at the distal heme pocket that could act as an acid-base catalyst and thus enhance the peroxidase activity in the mutant enzyme. This could potentially lead to the creation of a thermally stable artificial peroxidase...
Spin Dynamics: Electron Spin Polarization and Relaxation
Our research on Spin Dynamics attempts to understand mechanistic details that govern the generation electron spin systems in non-Boltzmann distribution and their evolution to Boltzmann distribution governed by the perturbing electron spin-lattice relaxation processes....
Tracking the molecular players in neurodegenerative disorders
In the department of chemical sciences, we investigate biophysically tractable yet biologically interesting systems, using (mostly) spectroscopic and imaging tools, most of which we build ourselves. Our recent focus has been on two problems: protein misfolding/aggregation, and vesicular neurotransmission....
Biocompatible Hydroxyapatite Nanotubes
Hydroxyapatite (HAp) Hollow Nanotubes – Electron Mapping and Electron Diffraction unequivocally confirm that each tube is in fact having the specific stoichiometry of HAp.…..
Metabolomics for investigating disease process
Malaria is considered to be one of the major killers in large part of the world. We believe, systems biological approaches may provide us specific insights to the mechanism of disease progression, since this involves the joint biological network of host and the parasite...
Structure/Dynamics of Proteins and Fibrils from Solid State NMR
Nuclear magnetic resonance spectroscopy of solid materials reveals structural and dynamics information. The methods make use of a combination of sample preparation, radiofrequency pulse sequence design, acquisition of multi-dimensional spectra techniques to get geometry information and structural elucidation…..
Turn-on Sensors for in vivo Imaging
The quest for unraveling fundamental biological pathways relies heavily upon the ability to precisely visualize strategic molecular players in vivo. Our group works at the interface of synthetic chemistry, molecular biology, and imaging, to develop molecular probes which give a specific ‘ON’ response only in presence of the bio-molecule of interest....
Proteins and the Computational Microscope
Theoretical modeling along with high performance computational simulations of biomolecules are probing how thermal motions of atoms drive diverse molecular scale processes such as charge transfer, enzymatic catalysis, biomolecular aggregation…..
Materials for Nanocatalysis
We have developed new kind of fibrous silica nanospheres. The material exhibits excellent physical properties, including a high surface area, a fibrous surface morphology, good thermal and mechanical stability. Material was found to be very useful as a support for development of nano-catalysts and sorbents, wherein accessibility of active sites was increased significantly.