Molecular Structure, DFT, Vibrational Spectra With Fluorescence Effect, Hirshfeld Surface, Docking Simulation And Antioxidant Activity Of Thiazole Derivative

Gold-catalyzed addition reaction between creatinine and isatin: A sustainable and green chemistry approach for the diastereoselective synthesis of 3-substituted-3-hydroxyisatins

Dimeric structure and hydrogen bonds in 2-N-ethylamino-5-metyl-4-nitro-pyridine studied by XRD, IR and Raman methods and DFT calculations

Modern Raman Spectroscopy - A Practical Approach: Smith/Modern Raman Spectroscopy - A Practical Approach

Novel Thiazole Derivatives of Medicinal Potential: Synthesis and Modeling

A Theoretical Study on N′-[(Z)-(4-Methylphenyl)Methylidene]-4-Nitrobenzohydrazide (NMPMN)

Photophysics of the lowest triplet state in 2-benzoylpyridine crystals. I. Optical spectra

Experimental (FT-IR, Laser-Raman and NMR) and theoretical comparative study on 2-benzylsulfanyl-4-pentyl-6-(phenylsulfanyl)pyrimidine-5-carbonitrile, a potential bioactive agent

Mechanistic Study for the Facile Oxidation of Trimethoprim on a Manganese Porphyrin Incorporated Glassy Carbon Electrode

Computational studies of 1:2 complex between retinol propionate and β cyclodextrin

Design, Synthesis, In Vitro Evaluation and Docking Studies of Pyrazole‐Thiazole Hybrids as Antimicrobial and Antibiofilm Agents

Empirical and accurate method for the three-dimensional electrostatic potential (EM-ESP) of biomolecules.

Molecular structure, vibrational and electronic properties of 4-Phenyl-3H-1,3-thiazol-2-ol using density functional theory and comparison of drug efficacy of keto and enol forms by QSAR analysis.

Intermolecular interactions in molecular crystals: what's in a name?

Infrared and Raman characteristic group frequencies : tables and charts

AutoDock4 and AutoDockTools4: Automated docking with selective receptor flexibility

The Role of Antioxidants in Human Health

Structure-based analysis of protein-RNA interactions using the program ENTANGLE.

Syntheses, spectral characterization, single crystal X-ray diffraction and DFT computational studies of novel thiazole derivatives

X-Ray diffraction and vibrational spectroscopic study of 2-chloro-N-{4-[3-(2,5-dimethylphenyl)-3-methylcyclobutyl]-thiazol-2-yl}-acetamide

Thiazoles: having diverse biological activities

Theoretical and experimental analysis of the antioxidant features of diarylhydrazones

Thiazolyl-pyrazole-biscoumarin synthesis and evaluation of their antibacterial and antioxidant activities

Quantum chemical calculations, vibrational studies, HOMO-LUMO and NBO/NLMO analysis of 2-bromo-5-nitrothiazole.

Natural population analysis

Oxidative Stress and Neurodegenerative Diseases: A Review of Upstream and Downstream Antioxidant Therapeutic Options

FT-IR, HF and DFT structural, vibrational analysis of 5-chloro-3-(2-(4-ethylpiperazin-1-yl)-2-oxoethyl)benzo[d]thiazol-2(3H)-one molecule.

Synthesis and anticonvulsant activities of novel 2-(cyclopentylmethylene)hydrazinyl-1,3-thiazoles in mouse models of seizures

Spectrometric identification of organic compounds

Structure and DFT calculations of 2-{[3-methyl-3-phenyl-cyclobutyl)-thiazol-2-yl]-hydrazonomethyl}-phenol

Modern Raman Spectroscopy: A Practical Approach

FT-Raman and FT-IR spectra, vibrational assignments and density functional studies of 5-bromo-2-nitropyridine.

Biological Potential of Thiazole Derivatives of Synthetic Origin

THE INHOMOGENEOUS ELECTRON GAS.

Modelling, structural, thermal, optical and vibrational studies of a new organic–inorganic hybrid material (C5H16N2)Cd1.5Cl5

Density‐functional thermochemistry. III. The role of exact exchange

Recent Advances in the Chemistry and Biology of Benzothiazoles

Hypochlorous acid-induced oxidative stress in Chinese hamster B14 cells: viability, DNA and protein damage and the protective action of melatonin.

Synthesis, crystal structure, spectroscopic characterization, docking simulation and density functional studies of 1-(3,4-dimethoxyphenyl) -3-(4-flurophenyl)-propan-1-one

Cytotoxicity and Antioxidant Potential of Novel 2-(2-((1H-indol-5yl)methylene)-hydrazinyl)-thiazole Derivatives

CrystalExplorer model energies and energy frameworks: extension to metal coordination compounds, organic salts, solvates and open-shell systems

Effects of substituents on the length of central C(sp3)–C(sp3) bond in anthracene photodimers and related molecules

Thiazole: a promising heterocycle for the development of potent CNS active agents.

The Novel 4-Phenyl-2-Phenoxyacetamide Thiazoles modulates the tumor hypoxia leading to the crackdown of neoangiogenesis and evoking the cell death.

Recent advances in novel heterocyclic scaffolds for the treatment of drug-resistant malaria

FTIR, FT-Raman, FT-NMR, UV-visible and quantum chemical investigations of 2-amino-4-methylbenzothiazole.

Structures of some fluorinated benzenes determined by ab initio computation

Benzothiazole‐Based‐Bioconjugates with Improved Antimicrobial, Anticancer and Antioxidant Potential

Antibacterial Evaluation and Virtual Screening of New Thiazolyl-Triazole Schiff Bases as Potential DNA-Gyrase Inhibitors

Crystal structure of human peroxiredoxin 5, a novel type of mammalian peroxiredoxin at 1.5 A resolution.

Synthesis, docking and biological evaluation of thiadiazole and oxadiazole derivatives as antimicrobial and antioxidant agents

Structural, Quantum Chemical and Spectroscopic Investigations on Photophysical Properties of Fluorescent Saccharide Sensor: Theoretical and Experimental Studies

Effect of o-difluoro and p-methyl substituents on the structure, optical properties and anti-inflammatory activity of phenoxy thiazole acetamide derivatives: Theoretical and experimental studies

THERAPEUTIC POTENTIAL AND IN VITRO ANTHELMINTIC ACTIVITY OF RIDGE GOURD FRUIT

In silico and In vitro evaluation of the anti-inflammatory and antioxidant potential of Cymbopogon citratus from North-western Himalayas

Insight into fluorescence properties of 14 selected toxic single-ring aromatic compounds in water: Experimental and DFT study