DFT calculations on molecular structures, HOMO–LUMO study, reactivity descriptors and spectral analyses of newly synthesized diorganotin (IV) 2 …

VK Choudhary, AK Bhatt, D Dash… - Journal of …, 2019 - Wiley Online Library
The gas‐phase‐optimized geometry of newly synthesized and characterized diorganotin
(IV) 2‐chloridophenylacetohydroxamate complexes of composition [Me2Sn (HL) 2](I) and [n …

Antioxidant activity of Schiff base ligands using the DPPH scavenging assay: an updated review

MS Rana, NMA Rayhan, MSH Emon, MT Islam… - RSC …, 2024 - pubs.rsc.org
Schiff base ligands, formed from primary amines and carbonyl compounds, are potential
antioxidants because they scavenge 2, 2-diphenyl-1-picrylhydrazyl (DPPH) radicals via …

Structure elucidation {single X-ray crystal diffraction studies, Hirshfeld surface analysis, DFT} and antibacterial studies of sulfonamide functionalized Schiff base …

WA Siddiqui, MA Raza, A Ashraf, M Ashfaq… - Journal of Molecular …, 2024 - Elsevier
Microbial infections tremendously affect the human health and can be cured by antimicrobial
agents. In this regard, the copper and zinc complexes of a sulfonamide functionalized Schiff …

Novel 1, 3, 5-triazine-based pyrazole derivatives as potential antitumor agents and EFGR kinase inhibitors: Synthesis, cytotoxicity, DNA binding, molecular docking …

MS Raghu, CBP Kumar, MK Prashanth… - New Journal of …, 2021 - pubs.rsc.org
We herein report the design and synthesis of new 1, 3, 5-triazine-based pyrazole derivatives
(5a–i) with anticancer activity targeting the epidermal growth factor (EGFR) tyrosine kinase …

Mixed-ligand Cu (II) hydrazone complexes designed to enhance anticancer activity

QY Mo, JG Deng, Y Liu, GD Huang, ZW Li, P Yu… - European Journal of …, 2018 - Elsevier
The ligand quantity, ligand type, and coordination geometry have important influences on
the anticancer activity of metal-based complexes. On the basis of the structures of previously …

Molecular structure solvent–solute, electronic, topology and dynamics simulation studies on 2-[[1-(cyclopropyl methoxy)-4-hydroxy-2-oxoquinoline-3-carbonyl] amino] …

P Manikandan, M Kumar, S Chithra, A Jeelani… - Journal of Molecular …, 2023 - Elsevier
The current theoretical work analyzes the optimal structure and vibrational assignments of 2-
[[1-(cyclopropyl methox)-4-hydroxy-2-oxoquinoline-3-carbonyl] amino] acetic acid (2C2O) …

Synthesis, spectroscopic, X-ray diffraction, antimicrobial and antitumor studies of Ni (II) and Co (II) complexes derived from 4-acetyl-5, 6-diphenyl-3 (2H)-pyridazinone …

OMI Adly, M Shebl, EM Abdelrhman… - Journal of Molecular …, 2020 - Elsevier
Reactions of the Schiff base ligand derived from 4-acetyl-5, 6-diphenyl-3 (2H)-pyridazinone
and ethylenediamine with Ni (II) and Co (II) using different metal salts; NO 3−, AcO−, ClO 4 …

Synthesis, characterization, DFT and biological studies of isatinpicolinohydrazone and its Zn (II), Cd (II) and Hg (II) complexes

OA El-Gammal, TH Rakha, HM Metwally… - … Acta Part A: Molecular …, 2014 - Elsevier
Isatinpicolinohydrazone (H 2 IPH) and its Zn (II), Cd (II) and Hg (II) complexes have been
synthesized and investigated using physicochemical techniques viz. IR, 1 H NMR, 13 C …

Experimental and theoretical studies on the corrosion inhibition performance of 4-amino-N, N-di-(2-pyridylmethyl)-aniline on mild steel in hydrochloric acid

B Xu, Y Ji, X Zhang, X Jin, W Yang, Y Chen - RSC Advances, 2015 - pubs.rsc.org
The corrosion inhibition properties of a pyridine derivative with more than one pyridine ring,
4-amino-N, N-di-(2-pyridylmethyl)-aniline, on mild steel in 1.0 M hydrochloric acid were …

Binuclear Schiff base copper (II) complexes: Syntheses, crystal structures, HSA interaction and anti-cancer properties

S Jiang, H Ni, F Liu, S Gu, P Yu, Y Gou - Inorganica Chimica Acta, 2020 - Elsevier
Three binuclear Schiff base copper (II) complexes:[Cu 2 (HL1) 2 (CH 3 OH)(NO 3)]· NO 3
(1),[Cu 2 (HL2) 2 (CH 3 OH) 2]· 2NO 3 (2), and [Cu 2 (HL3) 2 (C 2 H 5 OH) 2]· 2NO 3 …