Microwave-assisted MgO NP catalyzed one-pot multicomponent synthesis of polysubstituted steroidal pyridines
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 …
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 …
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
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 …
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
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 …
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
We have prepared Eu3+ activated phosphor from the host CaSc2O4 (CSO) via high‐
temperature facial solid‐state route and characterized by various spectral techniques …
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 series of steroidal oxazole and thiazole derivatives have been synthesized employing
thiosemicarbazide/semicarbazide hydrochloride and ethyl 2-chloroacetoacetate with a …
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 …
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 …
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 …
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 …
(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 …
Cadmium Nicotinate (CdN) were performed using the density functional B3LYP level with a …