Intermolecular interactions in ethanol solution of OABA: Raman, FTIR, DFT, M062X, MEP, NBO, FMO, AIM, NCI, RDG analysis
This study describes the effect of ethanol on the vibrational modes of ortho-aminobenzoic
acid (OABA) using Raman and FTIR spectroscopy. The intermolecular interactions between …
acid (OABA) using Raman and FTIR spectroscopy. The intermolecular interactions between …
New explosive materials through covalent and non-covalent synthesis: Investigation of explosive properties of trinitrotoluene: Acridine and picric acid: Acridine
Trinitrotoluene (TNT) and picric acid (PIC) suffer from suboptimal thermal and impact
sensitivities, which severely hinder their real-world use. We here demonstrate how co …
sensitivities, which severely hinder their real-world use. We here demonstrate how co …
Promising bioactive properties of (2R, 5S)-2, 5-dimethylpiperazine-1, 4-diium dinitrate material: experimental, theoretical and in silico investigation
S Gatfaoui, N Issaoui, AS Kazachenko… - Zeitschrift für …, 2023 - degruyter.com
The present study investigates the physicochemical and biological properties of a novel
inorganic-organic hybrid material called (2R, 5S)-2, 5-dimethylpiperazine-1, 4-diium …
inorganic-organic hybrid material called (2R, 5S)-2, 5-dimethylpiperazine-1, 4-diium …
Theoretical and experimental approach on investigation of ethylurea-water clusters
Alkylated urea derivatives have found wide application as starting materials for the
production of many drugs, including anticancer drugs, as well as in many other areas. In this …
production of many drugs, including anticancer drugs, as well as in many other areas. In this …
A combined experimental and theoretical study of alkyl 2-(3-benzoyl-4‑hydroxy-1, 1-dioxido-2H-benzo [e][1, 2] thiazin-2-yl) acetates: Synthesis, X-ray crystallography …
Benzothiazine derivatives belongs to an important class of organic compounds with a wide
range of application in the field of biotechnology and medicinal chemistry, and many of its …
range of application in the field of biotechnology and medicinal chemistry, and many of its …
A first principles study of nonlinear optical properties of a quinoline derivative
R Medeiros, C Valverde, MSH Faizi… - … Journal of Quantum …, 2023 - Wiley Online Library
Abstract A quinoline derivative, 4‐(quinolin‐2‐ylmethylene) aminophenol was synthesized
and structurally characterized by single crystal X‐ray diffraction. The crystal packing …
and structurally characterized by single crystal X‐ray diffraction. The crystal packing …
Chloranilic acid-Gabapentin Proton Transfer Complexes: Synthesis, Spectroscopic, Antimicrobial, Computational, and Molecular Docking Studies
HA Elbadawy, AH Abdeen, TE Khalil… - Journal of Molecular …, 2024 - Elsevier
Abstract The behavior of Gabapentin (Gab) towards Chloranilic acid (CLA) in solution is
checked using UV-visible spectroscopy in three different solvents: methanol, ethanol, and …
checked using UV-visible spectroscopy in three different solvents: methanol, ethanol, and …
Supramolecular Networks Featuring Diverse Array of Noncovalent Interactions in Crystals of Hydrazinylidene-Benzothiazinediones: X-ray Crystallographic, DFT and …
The intricate role of noncovalent interactions in numerous fields including chemistry, biology,
catalysis, material science, and medicinal chemistry provides a continuous impetus towards …
catalysis, material science, and medicinal chemistry provides a continuous impetus towards …
Development of new benzil-hydrazone derivatives as anticholinesterase inhibitors: synthesis, X-ray analysis, DFT study and in vitro/in silico evaluation
A Tabbiche, A Bouchama, K Fadli… - Journal of …, 2024 - Taylor & Francis
Alzheimer's disease (AD) is a complex neurodegenerative disorder affecting the central
nervous system. Current drugs for AD have limited effectiveness and often come with side …
nervous system. Current drugs for AD have limited effectiveness and often come with side …
Solvent-free synthesis, biological evaluation and in silico studies of novel 2-amino-7-(bis (2-hydroxyethyl) amino)-4H-chromene-3-carbonitrile derivatives as potential …
SR Chothani, MP Dholariya, RJ Joshi… - Journal of Molecular …, 2024 - Elsevier
Despite a wide range of kinase inhibitory activities exhibited by 2-amino-4H-chromenes,
their potential application towards α-amylase inhibition remained rarely explored to date. For …
their potential application towards α-amylase inhibition remained rarely explored to date. For …