Ganesan V

@hit.edu.in

Assistant Professor and Aeronautical Engineering/Faculty
Hindusthan Institute Of Technology,Coimbatore

Ganesan V


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https://researchid.co/ganesan.v

EDUCATION

M.E-Thermal Engineering

RESEARCH INTERESTS

Thermal Engineering
5

Scopus Publications

Scopus Publications

  • Spectroscopic clarifications, topological insights, Hirshfeld interactions, and quantum chemical computational analysis of antibacterial agent benzimidazolium picrate
    V. Gifty, V. Bena Jothy, Vadivelan Ganesan
    Journal of Molecular Structure, 2024
  • Quantum chemical computations on molecular composition, spectroscopic properties, topology exploration, NLO, ligand protein interactions and pharmacokinetic evaluation of 8-hydroxyquinolium 3-nitrobenzoate
    A. Herlin Shamina, Vadivelan Ganesan, V. Bena Jothy, A. Manikandan, S. Muthu, Saleem Javed
    Chemical Physics Impact, 2024
    Optimum geometries and vibration spectra of 8-hydroxyquinolium 3-nitrobenzoate (8HQ3NB) were predicted by DFT computations at B3LYP using 6-311++G(d, p) basis functions. To decipher IR spectra mathematically and qualitatively, vibrational spectra were evaluated by considering PED across individual vibrating modes into account. In gas phase, FT-IR and UV-Visible spectrum investigations of 8HQ3NB have been carried out using combined theoretical and experimental calculations. RDG, ELF, and LOL visualisations proposing topological characteristics of 8HQ3NB were also portrayed. In light of Hyperpolarizability values, NLO functionality was investigated and it was discovered that 8-hydroxyquinolium 3-nitrobenzoate could serve to be suitable NLO element. Reactive spots of the molecule have been established by simulating the MEP surface. Natural bond orbital study was also done to further investigate intramolecular interactions, confirming the 8HQ3NB's biological activity. In addition, the Fukui and chemical descriptor characteristics have been investigated to better understand the molecular structure activity concept. Antifungal and antimicrobial nature of 8HQ3NB compound has been validated by molecular docking analysis. ADMET characteristics and drug likeness variables have been computed to portray the biological possessions of the compound.
  • Synthesis, spectroscopic investigations, antioxidants and DNA binding studies of a charge transfer of benzimidazole with 4-methylbenzenesulfonic acid
    G. Vadivelan, M. Saravanabhavan, V. Murugesan, G. Gohulvani, M. Sekar, B. Babu
    Molecular Crystals and Liquid Crystals, 2017
    A new charge transfer (CT) complex benzimidazolium-4-methylbenzenesulfonate formed between benzimidazole and 4-methylbenzenesulfonic acid has been studied spectrophotometrically in methanol at room temperature. The binding of the novel CT complex with calf thymus DNA has been investigated by adsorption spectrum, the establish the ability of the CT complex for its interaction with the chosen DNA. The elemental stiochiometry and the X-ray crystallographic structure of the complex were studied, showing the significance of sulfonate anion in holding stability. Powder XRD confirms the crystalline nature of the compound. NMR signals explicitly confirmed the molecular structure crystal. Antioxidant activity of the CT complex was found to be potent. TG-DTA studies also proves the stability of the synthesized complex.
  • Synthesis, spectral, structural and thermal characterization of NLO active crystal: 2-hydroxyethylammonium-4-nitrobenzoate
    Ganesan Vadivelan, Venkatesan Murugesan, Munusamy Saravanabhavan, Marimuthu Sekar
    Optik, 2017
    An organic crystal, 2-hydroxyethylammonium-4-nitrobenzoate (EANB) was synthesized and single crystals grown by the slow evaporation solution growth method at ambient temperature. The Fourier Infrared (FT-IR) spectral analysis was used to confirm the presence of various functional groups in the grown crystal. The formation of molecular compound and crystal has been confirmed by single crystal X-ray diffraction and NMR spectroscopic techniques. The title crystal crystallizes in monoclinic system, space group P2 1 /c. The thermal stability of crystal was established using Thermogravimetry (TG) and Different Thermal Analysis (DTA) simultaneously. Nonlinear optical (NLO) property in the grown crystal was investigated by the modified Kurtz–Perry powder test.
  • Synthesis, characterization and biological studies of a charge transfer complex: 2-Aminopyridinium-4-methylbenzenesulfonate
    Ganesan Vadivelan, Munusamy Saravanabhavan, Venkatesan Murugesan, Marimuthu Sekar
    Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy, 2015
    A single crystal charge transfer (CT) complex, 2-aminopyridinium-4-methylbenzenesulfonate (APTS) was synthesized and recrystallized by slow solvent evaporation solution growth method at room temperature. The complex has been characterized with the elemental analysis, UV-visible, infrared (IR), (1)H and (13)C nuclear magnetic resonance (NMR) spectra. Thermogravimetric (TG) and differential thermal analysis (DTA) were reported the thermal behaviour of the complex. Single crystal XRD studies showed that the orthorhombic nature of the crystal with space group Pbca. The biological activities of CT complex, such as DNA binding and antioxidant activity has been carried out. The results indicated that the compound could interact with DNA through intercalation and show significant capacity of scavenging with 2,2-diphenyl-2-picryl-hydrazyl (DPPH).