PhD II Seminar - 5th September 2018 @ 3.30 pm
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Sep 5, 2018, 6:01:21 AM9/5/18
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PhD II Seminar - 5th September
Abstract: Ionic Liquids (ILs) are low melting organic salts, composed of organic cations and organic or inorganic anions. Task specific ionic liquids can be designed by varying combinations of cations or anions. Neat ILs have found wide range of applications, while their applications are further enhanced in biological sciences with the addition of water. The IL-water binary mixtures are used as ideal storage media for DNA , proteins , dissolution of cellulose and sparingly soluble bioactive molecules. Recent reports suggest that IL-water mixtures aid in protein re-naturation and enhance biocatalysis.
Speaker: Md Homaidur Rahman (BT13D013)
Time: 3.30 pm
Advisor(s): Dr. Sanjib Senapati (BT)
GTC/DC Members: Dr. Athi Narayanan N (BT), Dr. K. Raman (BT), Dr. P. Ghosh (AM)
Invited Members: Dr. N. Manoj (BT), Dr. M. Gromiha (BT), Dr. N. Mahapatra
(BT)
Title: Molecular mechanism of protein re-naturation in hydrated Ionic Liquids: Role of ion specific interaction and nanostructuring in IL-water Mixtures
Title: Molecular mechanism of protein re-naturation in hydrated Ionic Liquids: Role of ion specific interaction and nanostructuring in IL-water Mixtures
Abstract: Ionic Liquids (ILs) are low melting organic salts, composed of organic cations and organic or inorganic anions. Task specific ionic liquids can be designed by varying combinations of cations or anions. Neat ILs have found wide range of applications, while their applications are further enhanced in biological sciences with the addition of water. The IL-water binary mixtures are used as ideal storage media for DNA , proteins , dissolution of cellulose and sparingly soluble bioactive molecules. Recent reports suggest that IL-water mixtures aid in protein re-naturation and enhance biocatalysis.
In the present study, we used all-atom Molecular Dynamics Simulation to explore the nano-structural reorganization of IL-water binary mixture and their potential role in protein re-naturation. Our results suggest
that cations have a significant role in IL-water nano-structuring. These nano-structural changes correlate well with the experimentally determined thermophysical properties of IL-water binary solution. Further, these nano-structural changes directly affect
the behaviour of proteins in binary solutions. Studies have shown that IL/water binary mixtures at optimal concentrations can re-nature the protein treated with 8M urea. Our results from MD simulation suggest that the mechanism of IL-induced protein renaturation
involves (i) Strong IL ion-urea interaction that pulls out urea out of the protein surface and (ii) Specific interaction of IL ions with proteins polar residues plus strong IL cation-anion electrostatic interaction that induce quicker folding.
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