Structural investigations, Hirsfeld surface analyses, and molecular docking studies of a phenoxo-bridged binuclear Zinc (II) complex

M Azam, PK Sahoo, RK Mohapatra, M Kumar… - Journal of Molecular …, 2022 - Elsevier
A novel phenoxo-bridged zinc complex,[Zn 2 (L) µ (OO) 2 H 2 OCl 2][L= deprotonated salen
ligand, 2, 2′-((1E, 1′ E)-((2, 2-dimethylpropane-1, 3-diyl) bis (azaneylylidene)) bis …

Novel 1, 2, 3-triazole-based benzothiazole derivatives: Efficient synthesis, DFT, molecular docking, and ADMET studies

Z Mirjafary, M Mohammad Karbasi, P Hesamzadeh… - Molecules, 2022 - mdpi.com
A new series of 1, 2, 3-triazole derivatives 5a–f based on benzothiazole were synthesized by
the 1, 3-dipolar cycloaddition reaction of S-propargyl mercaptobenzothiazole and α-halo …

Straightforward synthesis, spectroscopic characterizations and comprehensive DFT calculations of novel 1-ester 4-sulfonamide-1, 2, 3-triazole scaffolds

M Alizadeh, Z Mirjafary, H Saeidian - Journal of Molecular Structure, 2020 - Elsevier
For the first time, an efficient click azide‒alkyne [3+ 2] cycloaddition reaction for synthesis of
new 1-ester 4-sulfonamide-1, 2, 3-triazole derivatives was developed via a three-component …

A robust three-component synthesis of dispiroheterocycles containing aurone scaffold via 1, 3-dipolar cycloaddition reaction of azomethine ylides: regioselectivity and …

Z Esmaeeli, MR Khodabakhshi, Z Mirjafary… - Structural Chemistry, 2022 - Springer
Highly regioselective synthesis of 12 new dispiroheterocycles containing aurone scaffold
was reported via a three-component 1, 3-dipolar cycloaddition reaction of azomethine ylide …

Versatile and green synthesis, spectroscopic characterizations, crystal structure and DFT calculations of 1, 2, 3‒triazole‒based sulfonamides

H Saeidian, H Sadighian, M Abdoli… - Journal of Molecular …, 2017 - Elsevier
A green, and practically reliable method for the synthesis of novel 1, 2, 3‒triazole-based
sulfonamides via copper (I)‒catalyzed azide‒alkyne [3+ 2] cycloaddition reaction was …

Synthesis, structure and theoretical simulation of a zinc (II) coordination complex with 2, 3-pyridinedicarboxylate

S Soudani, M Hajji, JX Mi, C Jelsch, F Lefebvre… - Journal of Molecular …, 2020 - Elsevier
Abstract Hydrolytic opening reaction of 2, 3-pyridine dicarboxylic anhydride with the zinc
dichloride led to form the chelate complex of mono deprotonated 2, 3-pyridine dicarboxylic …

Efficient synthesis, spectroscopic characterization and DFT based studies of novel 1-amide 4-sulfonamide-1, 2, 3-triazole derivatives

SR Bonyad, Z Mirjafary, H Saeidian… - Journal of Molecular …, 2019 - Elsevier
In the present study, for the first time 1-amide 4-sulfonamide-1, 2, 3-triazole scaffolds were
synthesized by using an azide-alkyne Huisgen cycloaddition reaction. The target products …

[HTML][HTML] Electrochemical late-stage modification of hydralazine an antihypertensive drug. A green strategy for the synthesis of nano-structured new sulfonylhydrazine …

F Lotfipour, D Nematollahi, N Mohamadighader… - Green Synthesis and …, 2024 - Elsevier
This work is focused on the electrochemical late-stage modification of hydralazine (1-
hydrazinylphthalazine)(HYD), a common antihypertensive drug, and the synthesis of its new …

Exploring the Sensitivity of Bowl-shaped Silicon Carbide Nanocluster towards G-Series Nerve Agents: A Density Functional Theory Approach

N Kosar, A Fatima, A Allangawi, K Ayub, M Imran… - Silicon, 2024 - Springer
G-series nerve agents are more lethal and noxious among all classes of nerve agents. In
search of better surface for the monitoring and removal of G-series nerve agents (Tabun …

Expedient and click synthesis, spectroscopic characterizations and DFT calculations of novel 1, 5-bis (N-substituted 1, 2, 3‒triazole) benzodiazepinedione scaffolds

H Paghandeh, H Saeidian - Journal of Molecular Structure, 2018 - Elsevier
A practically reliable procedure for synthesis of new 1, 5-bis (N-substituted 1, 2, 3‒triazole)
benzodiazepinedione derivatives was reported by sequential amidation, propargylation and …