Introduction: Raman spectroscopy, that is a spectroscopic technique based on inelastic scattering of monochromatic light, can provide valuable information about molecular vibrations, so using this technique we can study molecular changes in a sample. Material and Methods: In this research, 153 Raman spectra obtained from normal and dried skin samples. Baseline and electrical noise were eliminat...

The experimental and theoretical study on the structure and vibrations of Naphthalene-2lyoxy acetic acid (NLA) are presented. The FT-IR and FT-Raman spectra of the title compound have been recorded in the region 4000-0 cm -1 and 3500-100 cm -1 . The molecular structure, vibrational wave numbers infrared intensities and Raman intensities were calculated using DFT (B3LYP) method with LANL2DZ and ...

Vibrational spectral analysis of the non-linear optical (NLO) material, 2,6-dichloro-4-nitroaniline (DCNA) has been carried out by using FT-IR and FT-Raman spectroscopic techniques. The Hartree-Fock(HF) and Density Functional Theoretical (DFT) computations have been performed at 6-311++G** level to derive equilibrium geometry, vibrational wavenumbers, intensities and first order hyperpolarizabi...

Raman spectrometers are devices which enable fast and non-contact identification of examined chemicals. These devices utilize the Raman phenomenon to identify unknown and often illicit chemicals (e.g. drugs, explosives) without the necessity of their preparation. Now, Raman devices can be portable and therefore can be more widely used to improve security at public places. Unfortunately, Raman s...

3-chloro-2-{(2Z)-2-[1-(4-methoxyphenyl)ethylidene]hydrazinyl}pyridine (HL) was prepared and its structure elucidated by LC/MS-MS, 1H 13C-NMR, UV-Vis, elemental analysis, FT-Raman FT-IR. All theoretical calculations optimized geometry were obtained from the 6-31G(d,p) basis set calculations. Calculated scaled data of molecule compared with observed FT-IR spectroscopic data. The chemical shifts H...

In this report we address the problem of skin fluorescence in feature extraction from Raman spectra of skin lesions. We apply a highly automated neural network method for suppressing skin fluorescence from Raman spectrum of skin lesions before dimension reduction with principal components analysis. By applying the background suppression, the effect of outlier spectrum in the principal component...