Synthesis of new organoselenium-based succinanilic and maleanilic derivatives and in silico studies as possible SARS-CoV-2 main protease inhibitors

S Shaaban, YS Al-Faiyz, GM Alsulaim, M Alaasar… - Inorganics, 2023 - mdpi.com
Herein we report the synthesis of organic selenide-based maleanilic and succinanilic acids
in good yields (up to 95%). Their structural identities were elucidated by spectroscopic …

Site-specific ammonia adsorption and transduction on a naphthalimide derivative molecule–a complementary analysis involving ab initio calculation and experimental …

A Tiwari, RS Fernandes, N Dey… - Physical Chemistry …, 2023 - pubs.rsc.org
Naphthalene diimide derivatives (NDIs) have exhibited significant potential for sensing
applications owing to their excellent photo-stability, environmental stability, reasonable …

Exploring diorganotin (IV) complexes of hydrazone based ligands as multi-target agents: Synthesis, structural characterization, DFT and in vitro biological evaluation

N Kumar, S Asija, Y Deswal, JS Kirar, D Kumar… - Inorganic Chemistry …, 2024 - Elsevier
In the present manuscript, sixteen new diorganotin (IV) complexes of the type R 2 SnL 1-
4,(where R=–CH 3,-C 2 H 5,-C 4 H 9 and-C 6 H 5; H 2 L 1= N'-(3, 5-dibromo-2 …

Simple Fluorescence Sensing Approach for Selective Detection of Fe3+ Ions: Live-Cell Imaging and Logic Gate Functioning

P Rasin, V Manakkadan… - ACS …, 2022 - ACS Publications
A pyrene-based fluorescent chemosensor APSB [N-(pyrene-1-ylmethylene) anthracen-2-
amine] was designed and developed by a simple condensation reaction between pyrene …

Effects of non-essential protein on D-glucose to control diabetes: DFT approach

S Tiwary, H Kumar, D Pateria, ML Verma - Journal of Molecular Modeling, 2022 - Springer
Diabetes is a disease found in every 1 out of 4 people in the world. The glucose molecule is
one of the sources of energy in the body and the lack of the digestion of glucose causes …

Theoretical insights on the relationship between detection limit and complex stability of oxine ligand

B Messaoudı, N Benhadrıa, T Attar - Turkish Computational and … - dergipark.org.tr
The concept of detection limit was combined with quantum chemical calculations for trace
analysis of cadmium and lead in aqueous solution using deprotonated 8-hydroxyquinoline …

Structure and bonding in triorganotin chlorides: a perspective from energy decomposition analysis

MVJ Rocha, FS Vilhena, MRM Signorelli… - Journal of Molecular …, 2019 - Springer
Abstract The Sn–Cl chemical bond of four organotin halides (Me 3 SnCl, Et 3 SnCl, Bu 3
SnCl, and Ph 3 SnCl) was studied by using relativistic density functional theory in …

Experimental and theoretical study of the regioselectivity of Claisen rearrangements of substituted allyl phenyl ethers

W Möller - skemman.is
The regioselectivity of Claisen rearrangement with different meta-substituted and meta-and
para-substituted allyl phenyl ethers was investigated. The main results were that in meta …