Schiff base derivatives against monkeypox virus: Synthesis, in silico, MM-GBSA and SAR properties

H Karataş, HK Kiliç, B Tüzün, Z Kökbudak - Journal of Molecular Structure, 2024 - Elsevier
Schiff base-bearing molecules have been reported to exhibit potent biological activities;
Therefore, the synthesis and applications of these molecules are of great importance. In this …

Molecular modeling of the photovoltaic properties of amino naphthalene and N-alkylated-isoquinoline dye

EC Agwamba, H Louis, TO Unimuke… - Journal of the Indian …, 2022 - Elsevier
Studies on the reverse solvatochromism of dyes in pure solvents are of interest to gain a
better understanding of the nature of this phenomenon and its application in organic solar …

Solvation, rotational dynamics, photophysical properties study of aromatic asymmetric di-ketones: An experimental and theoretical approach

R Melavanki, GV Muddapur, HT Srinivasa… - Journal of Molecular …, 2021 - Elsevier
In this article we have investigated the solvation, rotational dynamics and photo physics of
diketone derivatives DK-2 and DK-3 in alcohols and alkanes at room temperature through …

Temperature effect on fluorescence intensity and dipole moment using thermochromic shift method of 7DA3MHBI-2HChromen-2-one laser dye in highly viscous …

A Kumar, CG Renuka - Journal of Fluorescence, 2024 - Springer
The steady-state method is used to study the effect of temperature on the fluorescence
characteristics of 7-(diethylamino)-3-(1-methyl-1H-benzo [d] imidazol-2-yl)-2H-chromen-2 …

Synthesis, spectroscopic characterization, electronic and docking studies on novel chalcone derivatives (3DPP and 5PPD) by experimental and DFT methods

K Sharma, R Melavanki, SM Hiremath… - Journal of Molecular …, 2022 - Elsevier
Abstract In the present study, 3-(2, 4-Dichloro-phenyl)-1-pyridin-3-yl-propenone (3DPP) and
5-Phenyl-1-pyridin-3-yl-penta-2, 4‑dien-1-one (5PPD) are synthesized and characterized by …

Quantum chemical computations, fluorescence spectral features and molecular docking of two biologically active heterocyclic class of compounds

R Melavanki, K Sharma, VT Muttannavar… - … of Photochemistry and …, 2021 - Elsevier
This work is an effort for determination of excited and ground state values of dipole moments
and also for quantum chemical computation of two biologically active heterocyclic class of …

Fluorescence properties of aromatic asymmetric di-ketone compound in polar and non-polar solvents

GV Muddapur, R Melavanki, K Sharma… - Journal of Physics …, 2020 - iopscience.iop.org
Using the quantum chemical and solvatochromic shift technique aromatic unsymmetric di-
ketone compound1-(4'-dodecyl-[1, 1'-biphenyl]-4-yl)-3-(3, 4, 5-trimethoxyphenyl) propane-1 …

Dynamic and static fluorescence quenching on the inclusion complex formed by [3-(4-methylphenyl)-4, 5-dihydro-1, 2-oxazole-4, 5-diyl] bis (methylene) diacetate and …

U Ay, SE Sarli, YS Kara - Spectroscopy Letters, 2020 - Taylor & Francis
An inclusion complex was formed between [3-(4-methylphenyl)-4, 5-dihydro-1, 2-oxazole-4,
5-diyl] bis (methylene) diacetate compound, an isoxazole derivative and methyl-beta …

Examining the spectroscopic features and quantum chemical computations of a Quinoline derivative: Experimental and theoretical insights into the photophysical …

RM MELAVANKI, K Sharma… - Indian Journal of Pure …, 2020 - op.niscpr.res.in
The solvatochromic studies in a Quinoline derivative molecule namely Quinolin-8-ol (QO)
have been carried out at ambient temperature using absorption and fluorescence …

Dipole moments and quenching of fluorescence of a new coumarin dye

O Patil, PK Ingalagondi, S Gounhalli… - Canadian Journal of …, 2020 - cdnsciencepub.com
The absorption and fluorescence emission spectra of a newly synthesized laser grade
coumarin dye, 1-((4-methoxyphenoxy) methyl)-3H-benzo [f] chromen-3-one (4-MPMBC) …