Synthesis and antiviral activity of diverse heterocyclic scaffolds

S Sharma, D Utreja - Chemical Biology & Drug Design, 2022 - Wiley Online Library
Heterocyclic moieties form a major part of organic chemistry as they are widely distributed in
nature and have wide scale practical applications ranging from extensive clinical use to …

Investigation on crystal structure, spectral FT-IR analysis, DFT and molecular docking studies of a novel complex with the N′-(pyridin-2-ylmethylene) …

G Mahmoudi, S Sahli, Ö Tamer, EB Çınar… - Journal of Molecular …, 2022 - Elsevier
The chemical preparation, crystal structure, spectroscopic characterization and elemental
analysis of the Zn (II) complex with the tetradentate ligand N′-(pyridin-2-ylmethylene) …

Experimental and computational interaction studies of (E)-N'-benzylidene-5-methyl-1H-pyrazole-3-carbohydrazide with α-glucosidase and α-amylase enzymes: A …

K Karrouchi, S Fettach, Ö Tamer, D Avcı… - Polycyclic Aromatic …, 2023 - Taylor & Francis
Herein we report the synthesis, DFT calculations, and molecular docking studies of a
pyrazole derivative,(E)-N'-benzylidene-5-methyl-1H-pyrazole-3-carbohydrazide (E-BMPC) …

Theoretical Investigation of Structural, Spectroscopic (IR, 1H and 13C NMR), Static, and Frequency-Dependent Nonlinear Optical Properties of 4-[(1E)-3-(4 …

M Bensebaa, M Boukelkoul, Ö Tamer… - Polycyclic Aromatic …, 2024 - Taylor & Francis
The present study reports the theoretical investigations of nonlinear optical properties of
chalcone derivative namely 4-[(1E)-3-(4-methoxyphenyl)-3-oxoprop-1-en-1-yl] phenyl 4 …

Study of N‐methyl‐5‐nitroindazolylacrylonitriles as a Function of Quantum Parameters Employing Density Function Theory Methods: Comparative Theoretical Study …

A Moumad, A Bouhaoui, M Eddahmi, A Hafid… - …, 2023 - Wiley Online Library
The synthesis of N‐methyl‐5‐nitroindazolylacrylonitriles 2 a–l by a Knoevenagel
condensation reaction with a series of aldehydes in the presence of piperidine allowed the …

First and second order hyperpolarizabilities of flavonol derivatives: A density functional theory study

Ö Tamer, M Şimşek, D Avcı, Y Atalay - Spectrochimica Acta Part A …, 2022 - Elsevier
In this study, seventeen flavonol derivatives (1–17) were evaluated with regard to their first-
and second-order hyperpolarizability parameters. For this purpose, the molecular …

Static/dynamic first and second order hyperpolarizabilities, optimized structures, IR, UV–Vis, 1H and 13C NMR spectra for effective charge transfer compounds: a DFT …

Ö Tamer, M Şimşek, D Avcı, Y Atalay - Spectrochimica Acta Part A …, 2023 - Elsevier
The effective charge transfer compounds, 4-N, N-dimethylamino–4′-N′-methyl-
stilbazolium m-trifluoromethylbenzene-sulfonate (DSMFS) and 4-N, N-dimethylamino–4 …

Synthesis, Spectroscopic (FT-IR, 1H NMR, and UV-Vis) and Nonlinear Optical Properties of a Novel 3-(p-Cyanophenyl)-5-(o, m, p-Iodophenyl)-1-Phenylformazan …

M Toy, H Vural, H Şenöz - Polycyclic Aromatic Compounds, 2023 - Taylor & Francis
Abstract Three new compounds, 3-(p-cyanophenyl)-5-(o, m, p-iodophenyl)-1-
phenylformazans (o, m, p-CNIF), were synthesized. The spectral analyses for o, m, p-CNIF …

Synthesis and characterization of a new organic-inorganic hybrid material based on antimony

I Tlili, R Essalhi, G Mousdi, MSM Abdelbaky… - Journal of Molecular …, 2022 - Elsevier
In the current research work, a new organic–inorganic hybrid compound of the formula [C 3
H 5 N 2 S] SbCl 4 was successfully synthesized and characterized, where C 3 H 5 N 2 S …

Experimental study, theoretical calculations, investigation on the molecular docking, spectroscopic insights and antimicrobial appraisal of a new Co (II) complex

C Gharbi, Ö Tamer, B Essghaier, SD Kanmazalp… - Polyhedron, 2024 - Elsevier
Abstract The new bis (1–4 (chlorophenyl) piperazinium) tetraisothiocyanatecobaltate (II)
crystal was prepared by slow evaporation method, and structurally characterized by single …