Intermolecular interactions in ethanol solution of OABA: Raman, FTIR, DFT, M062X, MEP, NBO, FMO, AIM, NCI, RDG analysis

A Jumabaev, U Holikulov, H Hushvaktov… - Journal of Molecular …, 2023 - Elsevier
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 …

[HTML][HTML] Hidden potential of hydrazinecarboxamides (semicarbazides) as potential antimicrobial agents: A review

M Krátký, NH Houngbedji, J Vinšová - Biomedicine & Pharmacotherapy, 2024 - Elsevier
Hydrazinecarboxamides (semicarbazides) are increasingly recognized as a versatile
scaffold in develo** potential antimicrobial agents. In addition to a brief overview of the …

[HTML][HTML] Novel Para-Aminobenzoic Acid Analogs and Their Potential Therapeutic Applications

F Haroon, U Farwa, M Arif, MA Raza, ZA Sandhu… - Biomedicines, 2023 - mdpi.com
A “building block” is a key component that plays a substantial and critical function in the
pharmaceutical research and development industry. Given its structural versatility and ability …

Synthesis, spectral, DFT, intrinsic constant of DNA binding and antioxidant activity of vanadyl (IV) 2+ complexes of a symmetrical bisthiosemicarbazides

OA El-Gammal, MA El-Nawawy, HA Gomaa… - Journal of Molecular …, 2023 - Elsevier
A new series of complexes were prepared by reacting vanadyl (II) sulphate with three
multidentate bisthiosemicarbazides, TSCs in search for synthesizing a series of vanadyl …

Novel Inhibitors of Acetyl-and Butyrylcholinesterase Derived from Benzohydrazides: Synthesis, Evaluation and Docking Study

NH Houngbedji, Š Štěpánková, V Pflégr, K Svrčková… - Pharmaceuticals, 2023 - mdpi.com
On the basis of previous reports, novel 2-benzoylhydrazine-1-carboxamides were designed
as potential inhibitors of acetylcholinesterase (AChE) and butyrylcholinesterase (BChE) …

[HTML][HTML] Predicting pKa Values of Para-Substituted Aniline Radical Cations vs. Stable Anilinium Ions in Aqueous Media

J Wang, H Fang, Z Zhong, H Huang, X Liang, Y Yuan… - Molecules, 2024 - mdpi.com
The focus of p K a calculations has primarily been on stable molecules, with limited studies
comparing radical cations and stable cations. In this study, we comprehensively investigate …

Synthesis of new 4-aminobenzoic acid (PABA) hydrazide-hydrazone/sulfonate hybrids and antimicrobial evaluation with ascorbic acid/salicylic acid/N-acetyl cysteine …

Mİ Han, U İnce, GP Coşkun, K Birgül… - … , Sulfur, and Silicon …, 2024 - Taylor & Francis
One of the most serious threats to human health is the increasing prevalence of drug-
resistant pathogens. The development of new antibiotics capable of combating drug …

Development and Characterization of Novel Schiff Base-Thiazole Derivatives: Exploring Antimicrobial Activity Through Spectroscopic Analysis, DFT Calculations, and …

M Sharma, S Savita, K Wadhwa, V Mishra… - Journal of Molecular …, 2025 - Elsevier
Novel thiazole-chloranil schiff base derivatives were successfully synthesized and
characterized using NMR, IR, and mass spectrometry, demonstrating significant …

Novel quinoline derivatives: Synthesis, spectroscopic characterization, crystal structure, DFT calculations, Hirshfeld surface analysis, anti-tuberculosis activities and …

Y Geng, S Wang, Y Zhang, Y Liu, H Tang, X Li… - Journal of Molecular …, 2025 - Elsevier
Using 4-methylaniline as a starting material, we synthesized 2-chloro-3-(chloromethyl)-6-
methylquinoline through amidated on and Vilsmerier-Haack cyclization reactions …

Synthesis, spectral characteristics and molecular structure of N-(2, 2, 2-trichloro-1-(hydrazinecarbothioamido) ethyl) carboxamides

VV Pavlova, PV Zadorozhnii, VV Kiselev… - Chemical Data …, 2024 - Elsevier
Thiosemicarbazide derivatives are widely used as substrates for organic synthesis, and as
analytical reagents and have a wide range of biological activities. In this work, we report …