Structural characteristics of low-density environments in liquid water

AV Muthachikavil, GM Kontogeorgis, X Liang, Q Lei… - Physical Review E, 2022 - APS
The existence of two structural forms in liquid water has been a point of discussion for a long
time. A phase transition between these two forms of liquid water has been proposed based …

Absorption of volatile organic compounds toluene and acetaldehyde in choline chloride-based deep eutectic solvents

S Indra, R Subramanian… - The Journal of Physical …, 2022 - ACS Publications
Unrestricted emission of volatile organic compounds (VOCs)─ a threat to human health and
the environment─ can be controlled to a large extent by the capturing mechanism. Few …

Optimum number of anchored clathrate water and its instantaneous fluctuations dictate ice plane recognition specificities of insect antifreeze protein

S Chakraborty, B Jana - The Journal of Physical Chemistry B, 2018 - ACS Publications
Ice recognition by antifreeze proteins (AFPs) is a subject of topical interest. Among several
classes of AFPs, insect AFPs are hyperactive presumably due to their ability to adsorb on …

Osmolyte-induced conformational stabilization of a hydrophobic polymer

P Nanavare, S Sarkar, AB Jena… - Physical Chemistry …, 2024 - pubs.rsc.org
Elucidating the mechanistic role of osmolytes on conformations of hydrophobic prototypical
macromolecules in principle is the step** stone towards understanding the effect of …

How do glycerol and dimethyl sulphoxide affect local tetrahedral structure of water around a nonpolar solute at low temperature? Importance of preferential interaction

S Daschakraborty - The Journal of Chemical Physics, 2018 - pubs.aip.org
Glycerol and dimethyl sulphoxide (DMSO) have vital roles in cryoprotection of living cells,
tissues, etc. The above action has been directly linked with disruption of hydrogen (H-) bond …

Ordered hydration layer mediated ice adsorption of a globular antifreeze protein: mechanistic insight

S Chakraborty, B Jana - Physical Chemistry Chemical Physics, 2019 - pubs.rsc.org
The ice/water interface recognition mechanism of antifreeze proteins (AFPs) is highly
contentious. Conventionally, protein adsorption on a solid surface is primarily driven by the …

Factors promoting the formation of clathrate-like ordering of water in biomolecular structure at ambient temperature and pressure

S Parui, B Jana - The Journal of Physical Chemistry B, 2019 - ACS Publications
Clathrate hydrate forms when a hydrophobic molecule is entrapped inside a water cage or
cavity. Although biomolecular structures also have hydrophobic patches, clathrate-like water …

Translocation of a hydroxyl functionalized carbon dot across a lipid bilayer: an all-atom molecular dynamics simulation study

S Erimban, S Daschakraborty - Physical Chemistry Chemical Physics, 2020 - pubs.rsc.org
The major applications of carbon dots (CDs)(eg bio-imaging and targeted drug delivery)
necessitate the latter to permeate across the lipid bilayer membrane. Unfortunately, the …

Correlation between protein conformations and water structure and thermodynamics at high pressure: A molecular dynamics study of the Bovine Pancreatic Trypsin …

UC Roy, P Bandyopadhyay - The Journal of Chemical Physics, 2023 - pubs.aip.org
Pressure-induced perturbation of a protein structure leading to its folding–unfolding
mechanism is an important yet not fully understood phenomenon. The key point here is the …

Cold denaturation induced helix-to-helix transition and its implication to activity of helical antifreeze protein

S Parui, B Jana - Journal of Molecular Liquids, 2021 - Elsevier
Study of cold denaturation is relevant for understanding the freeze tolerant activity of
organism at sub-zero environment. The proteins responsible for the survival of these …