Adulteration of edible vegetable oils is a very serious problem affecting its commercial value and customers’ health. FT-NIR and Confocal Micro-Raman have been explored for discriminating adulteration of sesame oils. The soybean, corn, and peanut oil were mixed into sesame oils in the range of 5~20%(v/v),respectively,and their Confocal Micro-Raman and FT-NIR spectra were collected. Principal co...

The solid phase FT-IR and FT-Raman spectra of 3-Chloro-2-nitrobenzyl alcohol (CNBA) have been recorded in the regions 4000–400 cm and 4000–100 cm, respectively. The spectra were interpreted with the aid of normal coordinate analysis following a full structure optimization and force field calculations based on the density functional theory (DFT) using the standard B3LYP/6-31+G(d,p) method and ba...

The Fourier transform Raman (FT-Raman) and infrared absorption (FTIR) spectra of form II poly(vinylidene fluoride) have been recorded and analysed. A complete spectral analysis, assignments to observed bands, normal coordinate analysis and discussion of the spectra are presented. The computed spectrum is in excellent agreement with experiment. The potential energy distribution (PED) is evaluate...

The FT-IR and Raman spectra of 4-Chloro-2-Fluroaniline (4C2FA) were measured. The fundamental vibrational frequencies and intensity of vibrational bands were evaluated using density functional theory (DFT) and standard B3LYP/6-311+G** basis set combination. The vibrational spectra were interpreted, with the aid of normal coordinate analysis based on a scaled quantum mechanical (SQM) force field...

We present a Fourier-transform coherent anti-Stokes Raman scattering (FT-CARS) spectroscopy technique that achieves broadband CARS measurements at an ultrahigh scan rate of more than 20,000 spectra/s - more than 20 times higher than that of previous broadband coherent Raman scattering spectroscopy techniques. This is made possible by an integration of a FT-CARS system and a rapid-scanning retro...

FT-IR and FT-Raman spectra of 2-phenyl-4H-3,1-benzoxazin-4-one were recorded and analyzed. The vibrational wavenumbers of the title compound have been computed using the HartreeFock and B3LYP levels of theory using 6-31G* basis set and compared with the experimental data. The results indicate that B3LYP calculations approximate the observed fundamental wavenumbers much better than the HF result...

Many seaweeds produce phycocolloids, stored in the cell wall. Members of the Rhodophyceae produce polysaccharides the main components of which are galactose (galactans)-agar and carrageenan. In addition, alginic acid is extracted from members of the Phaeophyceae. This is a binary polyuronide made up of mannuronic acid and guluronic acid. The wide uses of these phycocolloids are based on their g...

The FT-IR (4000-400 cm) and FTRaman (4000-100 cm) spectra of 2-chloro-4-nitroaniline (2Cl4NA) have been recorded using Bruker IFS 66 V spectrometer. An ab initio HF(HF/6-311G(d,p) and DFT(B3LYP/6-311G(d,p)) calculations have been performed giving energies, optimized structures, harmonic vibrational frequencies,IR intensities and Raman activities. The study is extended to the HOMO LUMO analysis ...

The biochemical changes on normal and degenerated tissues of rotator cuff supraspinatus tendons were probed by FT-Raman spectroscopy. The Raman spectra showed differences on the spectral regions of cysteine, amino acids, nucleic acids, carbohydrates, and lipids. These spectral differences were assigned to pathological biochemical alterations due to the degenerative process of the tendon. Princi...

Polymorph detection, identification, and quantitation in crystalline materials are of great importance to the pharmaceutical industry. Vibrational spectroscopic techniques used for this purpose include Fourier transform mid-infrared (FT-MIR) spectroscopy, Fourier transform near-infrared (FT-NIR) spectroscopy, Raman spectroscopy, and terahertz (THz) and far-infrared (FIR) spectroscopy. Typically...