Two dimensional materials are non-nanotoxic and biocompatible towards cyclotides: evidence from classical molecular dynamics simulations

A Ghosh, TK Mukhopadhyay, A Datta - Nanoscale, 2023 - pubs.rsc.org
Cyclotides are backbone-cyclized peptides of plant origin enriched with disulfide bonds,
having exceptional stability towards thermal denaturation and proteolytic degradation. They …

In silico investigation on the selective nanotoxicity of two-dimensional materials to hen egg white lysozyme protein

S Paul, TK Mukhopadhyay, S Paul - ACS Applied Nano Materials, 2023 - ACS Publications
Inspired by the urge to determine the underlying mechanism of the induction of toxic effects
of state-of-the-art two-dimensional (2D) nanomaterials such as graphene and hexagonal …

Molecular dynamics simulations reveal orientation-dependent nanotoxicity of black phosphorene toward dimeric proteins

TK Mukhopadhyay, A Ghosh… - ACS Applied Nano …, 2021 - ACS Publications
Phosphorene, a monolayer of elemental phosphorus, has emerged as one of the most
significant two-dimensional (2D) atomic crystals in the post-graphene era, as a potential …

Disentangling the liquid phase exfoliation of two-dimensional materials: an “in silico” perspective

TK Mukhopadhyay, A Datta - Physical Chemistry Chemical Physics, 2020 - pubs.rsc.org
Liquid Phase Exfoliation (LPE) is one of the most successful synthetic roots for the
preparation of two-dimensional (2D) materials from their bulk counterparts. In recent years …

The role of solvent interfacial structural ordering in maintaining stable graphene dispersions

U Patil, NM Caffrey - 2D Materials, 2023 - iopscience.iop.org
Liquid phase exfoliation is the most promising method for the low-cost, scalable production
of two-dimensional nanosheets from their bulk counterparts. Extensive exfoliation occurs in …

Screening two dimensional materials for the transportation and delivery of diverse genetic materials

TK Mukhopadhyay, A Datta - Nanoscale, 2020 - pubs.rsc.org
In spite of several reports of graphene and other 2D materials concerning their capacity for
biomolecular adsorption and delivery, recent toxicity evaluations found them to be nanotoxic …

Harnessing noncovalent interactions for a directed evolution of a six-component molecular crystal

S Mandal, AK Pal, N Mandal… - The Journal of …, 2021 - ACS Publications
Building up on weak orthogonal interactions in supramolecular chemistry, a six-component
crystal is designed. Using five distinctly different noncovalent forces, namely, hydrogen …

A facile liquid phase exfoliation of tungsten diselenide using dimethyl sulfoxide as polar aprotic solvent to produce high‐quality nanosheets

PK Kashyap, A Kumar, R Srivastava, S Gupta… - …, 2021 - Wiley Online Library
Abstract Two‐dimensional (2D) ultra‐thin nanosheets of semiconducting layered structure of
transition metal dichalcogenides (TMDs) are in high demand for fundamental studies as well …

Density Functional Theory Combined with Thermodynamics Exploration of Novel 2D Materials Created Using Aqueous Exfoliation

M Layegh, JW Bennett - The Journal of Physical Chemistry C, 2023 - ACS Publications
During the past decade, two-dimensional (2D) nanomaterials have provided a broad
platform for a wide variety of applications and have been the focus of numerous studies due …