In recent years Intelligent Transportation System (ITS) has been growing interest in the development of vehicular communication technology. The traffic in India shows considerable fluctuations owing to the static and dynamic characteristics of road vehicles in VANET (Vehicular Adhoc Network). These vehicles take up a convenient side lane position on the road, disregarding lane discipline.
View Article and Find Full Text PDFIntroduction: " is a work-associated condition which is frequently observed in medical professionals, especially students. Extra-curricular activities (ECAs) are one of the coping techniques that students employ to deal with stress and exhaustion.
Goal: The study's goal is to evaluate dental students' levels of burnout and how it correlates with their participation in ECAs.
Spectrochim Acta A Mol Biomol Spectrosc
February 2015
The optimized molecular structure and corresponding vibrational assignments of 2-tert-butyl-5-methyl anisole (TBMA) have been investigated using density functional theory (DFT)/B3LYP with 6-31G(d,p) and 6-311++G(d,p) basis sets investigation of the relative orientation of the methoxy group has shown two conformers (O-cis) and (O-trans) exist. The vibrational analysis of the stable conformer of the title compound is performed by means of infrared absorption and Raman spectroscopy in combination with theoretical simultaneously. The natural bond orbital (NBO) analysis is useful to understand the intra-molecular hyper conjugative interaction lone pair and π(∗)(C-C), σ(∗)(C-H) bond orbital.
View Article and Find Full Text PDFSpectrochim Acta A Mol Biomol Spectrosc
February 2015
In this work, the vibrational characteristics of m-trifluoromethyl benzoic acid have been investigated and both the experimental and theoretical vibrational data indicate the presence of functional groups in the title molecule. The density functional theoretical (DFT) computations were performed at the B3LYP/6-31G (d, p), LSDA/6-31G (d, p), MP2/6-31G (d, p) levels to derive the optimized geometry, vibrational wavenumbers. Furthermore, the molecular orbital calculations such as natural bond orbitals (NBO), HOMO-LUMO energy gap and Mapped molecular electrostatic potential (MEP) surfaces, The Mulliken charges, the first-order hyperpolarizability were also performed with the same level of DFT.
View Article and Find Full Text PDFSpectrochim Acta A Mol Biomol Spectrosc
January 2015
The FT-IR and FT-Raman spectra of 3-tert-butyl-4-hydroxyanisole (TBHA) molecule have been recorded in the region 4000-400 cm(-1) and 3500-100 cm(-1), respectively. Optimized geometrical structure, harmonic vibrational frequencies has been computed by B3LYP level using 6-31G (d,p) and 6-311+G (d,p) basis sets. The observed FT-IR and FT-Raman vibrational frequencies are analyzed and compared with theoretically predicted vibrational frequencies.
View Article and Find Full Text PDFThe FT-IR and Raman spectra of 2-amino-5-nitrobenzophenone (ANBP) molecule have been recorded using Brucker IFS 66 V spectrometer in the range of 4000-100 cm(-1). The molecular geometry and vibrational frequencies in the ground state are calculated using the Hartree-Fock (HF) and B3LYP with 6-311+G(d) basis set. The computed values of frequencies are scaled using a suitable scale factor to yield good coherence with the observed values.
View Article and Find Full Text PDFThe FT-IR and Raman spectra of 2, 6-dichloro-3-nitrobenzoic acid (DCNBA) have been recorded and analyzed. The equilibrium geometry, various bonding and harmonic vibrational wavenumbers have been calculated with the help of density functional theory (DFT/B3LYP/cc-pvdz/6-311++G(d,p)) method. The optimized geometrical parameters obtained by B3LYP/6-311++G(d,p) method show good agreement with experimental X-ray data.
View Article and Find Full Text PDFSpectrochim Acta A Mol Biomol Spectrosc
April 2013
The (FT-IR and FT-Raman) spectral properties of 5-bromo-2-methoxybenzaldehyde (BMB) are studied using density functional theory (DFT) employing B3LYP/6-311++G (d) and B3LYP/6-311++G (d,p) levels of theory. There are four conformers, C1, C2, C3, and C4 for this molecule. The computational results diagnose the most stable conformer of BMB as the C1 form.
View Article and Find Full Text PDFToddalia asiatica var. gracilis (L) Lam is a commonly used medicinal plant in Indian system of Medicine. A detailed pharmacognostic study on the aerial parts of the medicinal plant is presented.
View Article and Find Full Text PDFIndian J Exp Biol
December 1995
A modified procedure for isolation of intraepithelial lymphocytes (IEL) from rat small intestine was developed which makes use of a protease inhibitor-phenyl methyl sulfonyl fluoride (PMSF) in the isolation medium. Yield and viability of IEL isolated in presence of PMSF were significantly higher as compared to those isolated in absence of PMSF. IEL isolated in presence PMSF demonstrated a significantly higher proliferative response to concanavalin A (con A) compared to those isolated in absence of PMSF.
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