S. Manoharan

Annamalai University , Annāmalainagar, State of Tamil Nadu, India

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Publications (3)2.1 Total impact

  • Article: The spectroscopic properties of anticancer drug Apigenin investigated by using DFT calculations, FT-IR, FT-Raman and NMR analysis.
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    ABSTRACT: The FT-Raman and FT-Infrared spectra of solid Apigenin sample were measured in order to elucidate the spectroscopic properties of title molecule in the spectral range of 3500-50 cm(-1) and 4000-400 cm(-1), respectively. The recorded FT-IR and FT-Raman spectral measurements favor the calculated (by B3LYP/6-31G(d,p) method) structural parameters which are further supported by spectral simulation. Additional support is given by the collected (1)H and (13)C NMR spectra recorded with the sample dissolved in DMSO. The predicted chemical shifts at the B3LYP/6-31G(d) level obtained using the Gauge-Invariant Atomic Orbitals (GIAO) method with and without inclusion of solvent using the Polarizable Continuum Model (PCM). By using TD-DFT method, electronic absorption spectra of the title compound have been predicted and a good agreement with the TD-DFT method and the experimental one is determined. The UV-visible absorption spectra of the compound that dissolved in Ethanol, Methanol and DMSO were recorded in the range of 800-200 nm. The formation of hydrogen bond and the most possible interaction are explained using natural bond orbital (NBO) analysis. In addition, the molecular electrostatic potential (MEP), frontier molecular orbitals (FMO) analysis and atomic charges of the title compound were investigated using theoretical calculations. The results are discussed herein and compared with similar molecules whenever appropriate.
    Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy 04/2012; 95:86-99. · 2.10 Impact Factor
  • Conference Proceeding: Web-Based Visualization of Media Data for Driver Assistance
    Bin Wang, S. Manoharan, R. Klette
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    ABSTRACT: This paper presents the design and implementation of a web-based application for video content sharing in the driver assistance research domain. The domain has special needs for video such as the ability to zoom and the ability to play related clips concurrently. In addition, since large amounts of data (video contents) have to be transmitted over the network, network usage and efficiency are critical in order to provide a better user experience. The design uses different quality levels of video data to ensure efficient transmission.
    Advances in Multimedia (MMEDIA), 2010 Second International Conferences on; 07/2010
  • Conference Proceeding: Current work in the .enpeda.. project
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    ABSTRACT: The environment perception and driver assistance (.enpeda..) project searches for solutions for vision-based driver assistance systems (DAS) which are currently starting to be active safety components of cars (e.g., lane departure warning, blind spot supervision). We review current projects in .enpeda.. in the international context of developments in this field.
    Image and Vision Computing New Zealand, 2009. IVCNZ '09. 24th International Conference; 12/2009