A5031333959- Nonlinear Optical Materials Research
- Synthesis and biological activity
- Free Radicals and Antioxidants
- Synthesis and Characterization of Heterocyclic Compounds
- Chemical synthesis and pharmacological studies
- Crystallization and Solubility Studies
- X-ray Diffraction in Crystallography
- Computational Drug Discovery Methods
- Bioactive Compounds and Antitumor Agents
- Metal complexes synthesis and properties
- Structural and Chemical Analysis of Organic and Inorganic Compounds
- Crystal structures of chemical compounds
- Phenothiazines and Benzothiazines Synthesis and Activities
- Protein Interaction Studies and Fluorescence Analysis
- Synthesis of Organic Compounds
- DNA and Nucleic Acid Chemistry
- Organic Chemistry Cycloaddition Reactions
- Synthesis of Tetrazole Derivatives
- Molecular spectroscopy and chirality
- Inorganic and Organometallic Chemistry
- Pharmacological Effects of Natural Compounds
- Metal-Catalyzed Oxygenation Mechanisms
- Synthesis and Reactivity of Sulfur-Containing Compounds
- Andrographolide Research and Applications
- Synthesis and Reactivity of Heterocycles
Christian Medical College
2017-2024
University of Madras
2019-2022
Quantum chemical, spectroscopic and bioactivity studies of pharmacologically active Ethyl 4-hydroxy 3-methoxy ethyl cinnamate (EHMC) were investigated. By optimizing the geometric structural parameters, it was theoretically possible to obtain FTIR &UV-Vis absorbance EHMC in both protic aprotic solvents. PED values computed, vibrational assignments identified. The TD-DFT approach IEFPCM model used for simulating UV spectra chemical. This study presents a comprehensive analysis molecular...
The vibrational, electronic and charge transfer studies on 2-bromo-6-methoxynaphthalene (2BMN) were done using DFT method with B3LYP/6-311++G(d,p) theory GAUSSIAN 09W software. Theoretical experimental investigations FT-IR FT Raman executed 2BMN. calculated vibrational wavenumbers scaled suitable scaling factors assignments to all modes of vibrations Potential Energy Distribution (PED). Frontier Molecular Orbitals TD-DFT the HOMO-LUMO energy gap was also obtained. Other properties global...
2,6-Dimethoxybenzoic acid (2,6-DMBA), a phytochemical from golden eye grass, shows promising therapeutic agent for Alzheimer’s dementia (AD). Density functional theory (DFT) calculations with the B3LYP and 6-311++G(d,p) basis set were used structural optimization, spectroscopic, electronic, topological biological evaluation. Spectroscopic methods, such as Fourier transform infrared (FT-IR) raman (FT-Raman) spectroscopy, supported geometric structure. Topological analyses, including molecular...