Microwave-assisted MgO NP catalyzed one-pot multicomponent synthesis of polysubstituted steroidal pyridines

A Ansari, A Ali, M Asif - New Journal of Chemistry, 2018 - pubs.rsc.org
The present study reports a highly efficient and green synthetic route for the synthesis of
steroidal pyridines. The synthetic methodology involves a microwave-assisted one-pot …

Study on structural, optical, thermal and electrical properties of a new centrosymmetric compound (Qx-H) 4Bi2Cl10

S Jarboui, C Hrizi, A Oueslati, F Zouari - Inorganica Chimica Acta, 2024 - Elsevier
Due to their wide field uses, the organic–inorganic hybrid materials are subject to several
researches. In this respect, these compounds exhibit multiple transitions depending upon …

Spectroscopic investigation, hirshfeld surface analysis and molecular docking studies on anti-viral drug entecavir

BF Rizwana, JC Prasana, CS Abraham… - Journal of Molecular …, 2018 - Elsevier
Entecavir, a new deoxyguanine nucleoside analogue, is a selective inhibitor of the
replication of the hepatitis B virus. In the present study, Quantum mechanical approach was …

Computational studies on optoelectronic and nonlinear optical properties of para-substituted nitrobenzofurazan compound

I Chérif, H Raissi, K Abiedh, B Gassoumi… - Materials Today …, 2023 - Elsevier
The activated chlorine atom on 4-chloro-7-nitrobenzofurazan (NBD-chloride, NBD-Cl) by
piperidine, secondary amine, yields a product of the nucleophilic aromatic substitution (SN …

Red‐emitting CaSc2O4:Eu3+ phosphor for NUV‐based warm white LEDs: structural elucidation and Hirshfeld surface analysis

N Shaishta, WU Khan, SKB Mane… - … Journal of Energy …, 2020 - Wiley Online Library
We have prepared Eu3+ activated phosphor from the host CaSc2O4 (CSO) via high‐
temperature facial solid‐state route and characterized by various spectral techniques …

Facile one-pot multicomponent synthesis and molecular docking studies of steroidal oxazole/thiazole derivatives with effective antimicrobial, antibiofilm and hemolytic …

A Ansari, A Ali, M Asif, MA Rauf, M Owais - Steroids, 2018 - Elsevier
A series of steroidal oxazole and thiazole derivatives have been synthesized employing
thiosemicarbazide/semicarbazide hydrochloride and ethyl 2-chloroacetoacetate with a …

DFT/B3LYP calculations, in vitro cytotoxicity and antioxidant activities of steroidal pyrimidines and their interaction with HSA using molecular docking and …

A Ali, M Asif, P Alam, MJ Alam, MA Sherwani… - Bioorganic …, 2017 - Elsevier
As a part of our continuing program on the synthesis of steroidal heterocycles, it has been
prepared a series of novel steroidal pyrimidine derivatives 4–6 via TMSCl, steroidal ketones …

Synthesis, crystal structure, Hirshfeld surface analysis and electrochemiluminescence property of A 2D Ag (I) coordination polymer

Y Yang, C Feng, Y Jiang, D Du, H Zhao… - Journal of Molecular …, 2023 - Elsevier
By employing an N, O-containing organic 5-phenyl-1H-pyrazole-3-carboxylic acid (H 2 L) as
the tridentate ligand, a structurally and characteristically stabilized coordination polymer [Ag …

Crystal growth, spectroscopic and theoretical investigation of nonlinear optical 2‑bromo-4-nitroaniline single crystals for NLO and optoelectronic applications

CSJ Brintha, SE Joema, VK Suma - Journal of Molecular Structure, 2022 - Elsevier
The non-centrosymmetric space group, organic NLO single crystal of 2‑bromo-4-nitroaniline
(2B4NA) was prosperously developed by slow evaporation method at 40° C. Grown 2B4NA …

Spectral Elucidations and Molecular Docking Analysis of Hydrogen Bonded Coordination Metal Complex Cadmium Nicotinate Using DFT Method

CD Vincy, LP Nair, CL Shiny, XDD Dexlin… - Polycyclic Aromatic …, 2024 - Taylor & Francis
The geometry optimization, natural bond orbital analysis, and vibrational analysis of
Cadmium Nicotinate (CdN) were performed using the density functional B3LYP level with a …