A5088025611- Synthesis and biological activity
- Computational Drug Discovery Methods
- Free Radicals and Antioxidants
- Nonlinear Optical Materials Research
- Photochemistry and Electron Transfer Studies
- Synthesis and Characterization of Heterocyclic Compounds
- Metal complexes synthesis and properties
- Advanced Battery Materials and Technologies
- Synthesis and Biological Evaluation
- Enzyme function and inhibition
- Advancements in Battery Materials
- Thermal and Kinetic Analysis
- Plant Pathogens and Fungal Diseases
- biodegradable polymer synthesis and properties
- Cancer therapeutics and mechanisms
- Heme Oxygenase-1 and Carbon Monoxide
- Chemical Reaction Mechanisms
- Advanced Photocatalysis Techniques
- Covalent Organic Framework Applications
- Pharmacological Receptor Mechanisms and Effects
- Multicomponent Synthesis of Heterocycles
- Fullerene Chemistry and Applications
- Organic Electronics and Photovoltaics
- Adsorption and biosorption for pollutant removal
- Organometallic Compounds Synthesis and Characterization
M.S. Ramaiah Medical College
2022-2025
Thiruvalluvar University
2022-2024
The research aimed to investigate the adsorption of heavy metal Chromium (VI) using activated charcoal made from Sida Acuta plant leaves as an adsorbent. Various parameters such pH, adsorbent dosage, temperature, time and initial ion concentration were studied determine most efficient conditions for adsorption. It was found that maximum adsorbing efficiency achieved at a pH 2, which more effective than commercially available carbon. All batch experiments completed within 60 minutes....
Abstract The study is focused on examining 2,5‐Substituted 4‐Pyrone based compounds through quantum chemical and topological analysis techniques, evaluating the properties of these compounds, including their geometrical structure, intermolecular interactions assess possible applications. Additionally, molecular stability, charge delocalization UV‐Visible data was investigated compared with calculated energy oscillator strength using TD‐DFT approach. researchers observed that transfer...
Phenyl substituted pyridine compounds having fused pyrazole carboxylic acid derivatives.
ABSTRACT This work focuses on developing and evaluating a pH‐sensitive biopolymeric hydrogel by utilizing solventless green approach method involving Citric acid, 1,2 propanediol, Furoic acid. The two‐step condensation reaction is implemented to execute the straightforward poly‐esterification process. formation of was detected applying techniques FTIR NMR ( 1 H 13 C) spectroscopy. Swelling equilibrium studies hydrogels were investigated in variety pH conditions, ranging from 2.0 11.0....
The study thoroughly examines the possible applications of 5 Hydroxy – 2 (hydroxymethyl) 4 H pyran one. Through Quantum chemical analysis, research rigorously evaluates compound's properties, including its optoelectronics, geometrical structure, and intermolecular interactions. structure parameters were optimized using a 6–311++G(d,p) basis set in DFT/B3LYP method, resulting factors then scaled to calculate probable vibrational wavenumbers. Mulliken charges MEP map used locate electrophilic,...
In the present work, scope for obtaining an active and less toxic anti-microbial antioxidant agent, was explored to synthesize novel benimidazole semicarbazide derivatives (F1-F5) by conventional method. A series of 1-(substituted benzylidene)-4-(4-(3-oxo-3-(1-(piperidin-1-ylmethyl)-1Hbenzoimidazol-2-yl) prop-1-enyl) phenyl) F1-F5 were synthesized from o-phenylenediamine using multi-step synthesis. IR, 1H NMR, 13C NMR Mass spectroscopy elemental analysis data compounds are found be in...
Valeramide and halogenated phenol in solvent benzene have been studied using DFT. Dielectric relaxation studies also undertaken. The wave functional characteristics like reduced density gradient (RDG), electron localization function (ELF), localized orbital locator (LOL) are evaluated. It has found that the computed FMO energies accurately depict of excitation which provide an explanation for charge transfer. MEP analysis is done to identify electrophilic nucleophilic sites. theoretical...
This research describes the preparation of mixtures new halogen-substituted phenol derivatives and their effects due to linkages with a fatty amide (pentanamide). The molecules were optimized using DFT, vibrational electronic analysis was done subsequently. energies frontier molecular orbitals (FMOs) used estimate global chemical reactivity parameters as we suggest that hydrogen-bonded networks may have contributed stability compound. In addition experimental investigation, dielectric...
Applying the Ullmann synthesis, substituted aniline and o-halobenzoic acids are combined with potassium carbonate copper powder to produce N- (substituted phenyl) anthranilic acids. Under action of strong acids, N-(substituted cyclize into acridone or Acridones. In-vitro human cancer cell lines, in-vivo tumor xenograft models genetically modified animal a few preclinical screening techniques that were used evaluate anticancer efficacy drug. The substance high binding score was produced,...
The title molecule (N-(2,4-dihydroxy-3,3-dimethylbutyryl)b-alanine), DDBBA and its derivatives were selected for theoretical investigations viz geometry optimization, ADME profiling, binding affinity using quantum-mechanical calculations modelling simulation tools. Geometry optimization by Gaussian 09 program revealed the stability electrophilic nature of investigated molecules. In order to depict charge density distributions that may be related biological activity, contour maps HOMO-LUMO as...