The infrared spectra of polysaccharides (amylose and cellulose) as well as of their constituent monosaccharides (αand βD-glucose) and the results of their deconvolution are presented. The number of bands separated upon deconvolution in the 1200-920 cm spectral range exceeds the number of visualized absorption maxima in the room temperature spectra by a factor of more than two. It is shown that ...

Vibrational spectra of Xe-tagged cationic silicon oxide clusters Si(n)O(m)(+) with n = 3-5 and m = n, n ± 1 in the gas phase are obtained by resonant infrared multiple photon dissociation (IRMPD) spectroscopy and density functional theory calculations. The Si(n)O(m)(+) clusters are produced in a laser vaporization ion source and Xe complexes are formed after thermalization to 100 K. The cluster...

The aim of this research was to investigate the possibility of differentiation between black powder toners of similar polymer composition applying analytical methods: Fourier transform infrared spectrometry (FTIR) and X–ray fluorescence spectrometry (XRF). The studied materials were black powder toners of similar polymer composition sampled from the cartridges of 34 machines (31 models purchase...

Using a recently developed recursive scheme for the calculation of high-order geometric derivatives of frequency-dependent molecular properties [Ringholm et al., J. Comp. Chem., 2014, 35, 622], we present the first analytic calculations of anharmonic infrared (IR) and Raman spectra including anharmonicity both in the vibrational frequencies and in the IR and Raman intensities. In the case of an...

compound (n,n-bis (salicylidene) 1,2-diaminophenylene) was prepared by condensation of ethanolsolution of 2-hydroxybanzaldehyde and 1,2-diaminophenylene. the compound was characterized by1h nmr, infrared spectroscopy (ft-ir) data and analytical data. the geometrical parameters andenergies have been obtained from density functional theory (dft) b3lyp method and hartree-fock (hf) method with 3-21...

BACKGROUND & AIMS Infrared spectroscopy is an increasingly common method for bacterial strains' testing. For the analysis of bacterial IR spectra, advanced mathematical methods such as artificial neural networks must be used. The combination of these two methods has been used previously to analyze taxonomic affiliation of bacteria. The aim of this study was the classification of Escherichia col...

We present a green and scalable route toward the formation of reduced graphene oxide (r-GO) by photothermal reduction induced by infrared (IR) irradiation, utilizing a bathroom IR lamp as the source of IR light. Thermogravimetric analysis, Raman, Fourier transform infrared spectroscopy and X-ray photoelectron spectroscopy confirm the reduction of r-GO by IR light. Ultraviolet-visible-infrared s...

We report double-resonant IR/UV ion-dip spectroscopy of neutral gramicidin peptides in the gas phase. The IR spectra of gramicidin A and C, recorded in both the 1000 cm(-1) to 1800 cm(-1) and the 2700 to 3750 cm(-1) region, allow structural analysis. By studying this broad IR range, various local intramolecular interactions are probed, and complementary IR modes can be accessed. Ab initio quant...

condensation of aromatic aldehydes with benzoyl acetone under specified conditions yieldedtwo series of polycarbonyl compounds in which the keto group is attached to olefinic linkage.spectral and analytical data revealed the formation of an unsaturated triketone from pyridine-3-carbaldehyde and unsaturated diketone from furfural, salicylaldehyde and 2-hydroxynaphthaldehyde. analytical, ir, 1h n...

copper (cu) is an essential trace element involved in normal reproduction but its over-exposure may produce some detrimental effects. the aim of this study was to investigate the effects of purslane on copper sulfate poisoning on liver structures changes. twenty eight wistar rats were randomly allocated to four treatment groups. group i) control, group ii) copper sulfate (200 mg/kg bw were appl...