How are N-methylcarbamates encapsulated by β-cyclodextrin: insight into the binding mechanism

X Bao, X Liu, R Dou, S Xu, D Liu, J Luo… - Physical Chemistry …, 2023 - pubs.rsc.org
Guest molecules containing chromophore groups encapsulated by β-cyclodextrin (β-CD)
generate circular dichroism (CD) signals, which enables a preliminary prediction of their …

Optimizing 2-furylated imidazole π-bridges for NIR lipid droplet imaging

A Suresh, R Ramasamy, D Kallumpurath… - Physical Chemistry …, 2024 - pubs.rsc.org
Lipid droplets (LDs) are globular biological organelles found in the human body, essential
for lipid storage, homeostasis, energy reserve, cellular stress response, membrane …

Trianglimine‐Mediated Selective Sieving of Cis Isomer from the Mixture of Dihaloethenes: A Combined Molecular Dynamics and DFT Investigation

JE Noble, C Ebenezer, RV Solomon - ChemPhysChem, 2023 - Wiley Online Library
The manufacture of alkenyl halides on a larger scale often results in the formation of a
mixture of isomers, each having individual significant applications while their separation …

Rational Design of Selenophene‐infused BODIPY Molecules as Fluorogenic Probes for Lung Tumor Imaging–A Computational Approach

S Kumar, C Ebenezer, M Jaccob… - …, 2024 - Wiley Online Library
The BODIPY based molecules show promising properties towards bioimaging applications
due to its structural flexibility and versatile optoelectronic characteristic features. Among …

Quantum mechanical study on complexation phenomenon of pillar [5] arene towards neutral dicyanobutane

M Panneerselvam, M Deepan Kumar… - Supramolecular …, 2021 - Taylor & Francis
Based on density functional theory calculations, we have addressed the electronic structure,
binding and nature of non-covalent interactions between alkylated pillar [5] arene (P [5] A) …