Adsorptive behavior of zeolitic imidazolate framework-8 towards anionic dye in aqueous media: Combined experimental and molecular docking study

J Panda, JK Sahoo, PK Panda, SN Sahu… - Journal of Molecular …, 2019 - Elsevier
In the present work, zeolitic imidazole framework-8 (ZIF-8), a special class of metal organic
framework (MOF) was prepared under a cleaner and greener synthesis route. ZIF-8 was …

Structure of the Nearest Environment of Na+, K+, Rb+, and Cs+ Ions in Oxygen-Containing Solvents

PR Smirnov - Russian Journal of General Chemistry, 2020 - Springer
The review generalizes and analyzes published data on different methods of studying
structural characteristics of the solvation environment of alkali metal ions (except for Li+) in …

Mechanism of gelation in low-concentration aqueous solutions of silver nitrate with l-cysteine and its derivatives

SD Khizhnyak, PV Komarov, MM Ovchinnikov… - Soft Matter, 2017 - pubs.rsc.org
We discuss the results of experimental studies of the processes of gelation in aqueous
solutions of silver nitrate with L-cysteine and its derivatives. We focus on understanding what …

Molecular docking and molecular dynamics simulation studies on PLCE1 encoded protein

SN Sahu, SK Pattanayak - Journal of Molecular Structure, 2019 - Elsevier
Phospholipase C epsilon gene (PLCE1) is encoded the 1-phosphatidylinositol 4, 5-
bisphosphate phosphodiesterase ɛ-1 protein. This protein is characterized by the fetal onset …

Choline Chloride as a Nano‐Crowder Protects HP‐36 from Urea‐Induced Denaturation: Insights from Solvent Dynamics and Protein‐Solvent Interactions

A Maity, S Sarkar, L Theeyancheri… - …, 2020 - Wiley Online Library
Urea at sufficiently high concentration unfolds the secondary structure of proteins leading to
denaturation. In contrast, choline chloride (ChCl) and urea, in 1: 2 molar ratio, form a deep …

Efficient removal of two anionic dyes by a highly robust zirconium based metal organic framework from aqueous medium: Experimental findings with molecular …

J Panda, SN Sahu, JK Sahoo, SP Biswal… - Environmental …, 2020 - Elsevier
Abstract A Zr (IV) based Metal Organic Framework (MOF), UiO-66 has been synthesized by
hydrothermal method, and its application for adsorption of two industrially important anionic …

Mutual influence of non‐covalent interactions formed by imidazole: A systematic quantum‐chemical study

DA Shitov, DV Krutin… - Journal of Computational …, 2024 - Wiley Online Library
Imidazole is a five‐membered heterocycle that is part of a number of biologically important
molecules such as the amino acid histidine and the hormone histamine. Imidazole has a …

Impact of mutation on podocin protein involved in type 2 nephrotic syndrome: Insights into docking and molecular dynamics simulation study

SN Sahu, M Moharana, R Sahu… - Journal of Molecular …, 2019 - Elsevier
Podocin is expressed in the nephrotic tissues and its mutation inside the gene have been
associated to familial idiopathic type 2 nephrotic syndrome. Here we have analyzed the …

Effects of concentrated NaCl and KCl solutions on the behaviour of aqueous peptide bond environment: single-particle dynamics and H-bond structural relaxation

SK Pattanayak, S Chowdhuri - Molecular Physics, 2013 - Taylor & Francis
The effects of salt concentrations on the structure, dynamics and hydrogen bond structural
relaxation properties of∼ 1.10 M aqueous N-methylacetamide (NMA) solution at 308 K are …

Effects of methanol on the hydrogen bonding structure and dynamics in aqueous N-methylacetamide solution

SK Pattanayak, S Chowdhuri - Journal of Molecular Liquids, 2014 - Elsevier
The effect of methanol on the hydrogen bonding structure and dynamics in aqueous solution
of N-methylacetamide (NMA) is investigated by classical molecular dynamics simulations …