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Results for “Spectrum Analysis, Raman”

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At least 325 records · Page 18Linked to original sources

PubMed2006

Raman spectroscopic study of hydrogen ordered ice XIII and of its reversible phase transition to disordered ice V.

Raman spectra of recovered ordered H(2)O (D(2)O) ice XIII doped with 0.01 M HCl (DCl) recorded in vacuo at 80 K are reported in the range 3600-200 cm(-1). The bands are assigned to the various types of modes on the basis of isotope ratios. On thermal cycling between 80 and 120 K, the reversible phase transition to disordered ice V is observed. The remarkable effect of HCl (DCl) on orientational ordering in ice V and its phase transition to ordered ice XIII, first reported in a powder neutron diffraction study of DCl doped D(2)O ice V (C. G. Salzmann, P. G. Radaelli, A. Hallbrucker, E. Mayer, J. L. Finney, Science, 2006, 311, 1758), is demonstrated by Raman spectroscopy and discussed. The dopants KOH and HF have only a minor effect on hydrogen ordering in ice V, as shown by the Raman spectra.

Hydrogen↗

PubMed2006

Time-resolved methods in Biophysics. 1. A novel pump and probe surface-enhanced resonance Raman approach for studying biological photoreceptors.

This article describes a method, based on surface-enhanced resonance Raman (SERR) spectroscopy, for studying the reaction dynamics of photoreceptors immobilized on metal electrodes. Time resolution and fresh sample conditions are achieved by synchronizing the rotational and translational motion of a novel kinematic electrode with the duration and time delay between the pump and probe events. The power and sensitivity of the method is illustrated by studying the photocycle of the sensory photoreceptor NpSRII and its sensitivity to the applied electric field. The results are compared with time-resolved resonance Raman measurements in solution.

Biophysics↗

PubMed2003

Biodegradation-based polymer surface erosion and surface renewal for foul-release at low ship speeds.

Non-toxic foul-release provides an environmentally friendly and sustainable technical solution to control micro- and/or macrofouling on ships' hulls. Silicone-based coatings have been used for foul-release at high or moderate ship speeds (> 15 knots). To remove the fouling from slower ships (< 15 knots), the macrofoulers in particular, biodegradable polymers may be used to make the coating surface self-renewable. Synthesized by micro-organisms for carbon and energy storage under controlled conditions, polyhydroxyalkanoates (PHAs) are hydrophobic bipolymers that are gradually decomposed into CO2 and water in the environment. Because of their hydrophobic property and lack of hydrolysis in sterile aqueous solution, PHAs do not dissolve in water, but erode at the polymer surface (2-5 microns in depth) catalyzed exclusively by microbial enzymes (depolymerases) that are attached on the solid surface. The thin-layer surface erosion behaves like a self-renewable surface coating, which approaches a constant renewal rate at a relative hydraulic speed as low as 3 knots. A turbulence eddy model is used to describe the effect of energy consumption per mass of liquid on the turbulent shear stress and the surface renewal rate. Furthermore, the polymer biodegradation or surface renewal rate can be controlled within a broad range by blending the material with polymers such as poly (epsilon-caprolactone) (PCL). The biodegradation of binary blends of PHA/PCL of different compositions was quantitatively monitored by means of weight loss and Raman spectroscopy.

Biofilms↗

PubMed2006

Prediction of adipose tissue composition using Raman spectroscopy: average properties and individual fatty acids.

Raman spectroscopy has been used for the first time to predict the FA composition of unextracted adipose tissue of pork, beef, lamb, and chicken. It was found that the bulk unsaturation parameters could be predicted successfully [R2 = 0.97, root mean square error of prediction (RMSEP) = 4.6% of 4 sigma], with cis unsaturation, which accounted for the majority of the unsaturation, giving similar correlations. The combined abundance of all measured PUFA (> or = 2 double bonds per chain) was also well predicted with R2 = 0.97 and RMSEP = 4.0% of 4 sigma. Trans unsaturation was not as well modeled (R2 = 0.52, RMSEP = 18% of 4 sigma); this reduced prediction ability can be attributed to the low levels of trans FA found in adipose tissue (0.035 times the cis unsaturation level). For the individual FA, the average partial least squares (PLS) regression coefficient of the 18 most abundant FA (relative abundances ranging from 0.1 to 38.6% of the total FA content) was R2 = 0.73; the average RMSEP = 11.9% of 4 sigma. Regression coefficients and prediction errors for the five most abundant FA were all better than the average value (in some cases as low as RMSEP = 4.7% of 4 sigma). Cross-correlation between the abundances of the minor FA and more abundant acids could be determined by principal component analysis methods, and the resulting groups of correlated compounds were also well-predicted using PLS. The accuracy of the prediction of individual FA was at least as good as other spectroscopic methods, and the extremely straightforward sampling method meant that very rapid analysis of samples at ambient temperature was easily achieved. This work shows that Raman profiling of hundreds of samples per day is easily achievable with an automated sampling system.

Adipose Tissue↗

PubMed2001

Laser Raman and IR spectra and force fields for 2,4-dichlorobenzonitrile.

Raman spectrum of 2,4-dichlorobenzonitrile (2,4-DCBN) in powder form has been recorded in the region 50-4000 cm(-1) on a Jasco K-500 Raman spectrophotometer using the 488.0 nm radiation from an argon laser. FTIR spectra in the region 200-4000 cm(-1) have been recorded in KBr pellet and nujol mull on a Nicolet DX spectrometer. Using the observed Raman and IR frequencies, normal co-ordinate analysis has been carried out to support the vibrational analysis and to determine the planar and non-planar force fields.

Chlorine Compounds↗

PubMed2006

Preliminary evaluation of micro-Raman spectrometry for the characterization of individual aerosol particles.

Raman spectrometry has been used to determine the graphitic C content and to estimate particle size and disordered character of the C in aerosol particulate matter collected on filters, with sample spot sizes on the order of 100 microm being analyzed. Individual analysis of particulate matter with aerodynamic diameters less than 10 microm has therefore not been considered. In this investigation, various size fractions of aerosol particulate matter originating from both indoor and outdoor sources were collected by means of impactors or passive dry deposition on different types of substrate and analyzed by means of micro-Raman spectrometry with spot sizes ranging from 1-5 microm. The aim was to investigate the possible application of micro-Raman spectrometry to the molecular characterization of individual aerosol particles and to assess the applicability of the various substrates in such an analysis. It was demonstrated that the molecular characterization of most inorganic particles is trivial, but organic and heterogeneous conglomerates proved to be more challenging. Spectral contributions of the substrates, currently favored for individual particle analysis, were significant. Results obtained from micro Raman spectrometry can certainly add valuable molecular information on individual aerosol particles as small as 1 microm aerodynamic diameter.

Aerosols↗

PubMed2005

Analysis of vibrational spectra of 4-amino-2,6-dichloropyridine and 2-chloro-3,5-dinitropyridine based on density functional theory calculations.

This work deals with the vibrational spectroscopy of 4-amino-2,6-dichloropyridine (ADCP) and 2-chloro-3,5-dinitropyridine (CDNP) by means of quantum chemical calculations. The mid and far FTIR and FT-Raman spectra were measured in the condensed state. The fundamental vibrational frequencies and intensity of vibrational bands were evaluated using density functional theory (DFT) with the standard B3LYP/6-31G(*) and B3LYP/6-311+G(**) methods and basis set combinations, and was scaled using various scale factors which yields a good agreement between observed and calculated frequencies. The vibrational spectra were interpreted with the aid of normal coordinate analysis based on scaled density functional force field. The results of the calculations were applied to simulated infrared and Raman spectra of the title compounds, which showed excellent agreement with the observed spectra.

Carbon↗

PubMedDate not supplied

Using Raman spectroscopy to solve crime: inks, questioned documents and fraud.

Raman microscopy is becoming a tool of major importance in forensic analysis, particularly of drugs and explosives. It is a non-invasive, non-destructive chemical probe allowing samples to be examined in their entirety without any preparation. This paper demonstrates the use of the technique as a general tool for inks analysis. Furthermore, it addresses two important issues that historically have been extremely difficult for the professional document examiner, namely, comparison of black ballpoint inks and the chronological sequencing of crossed ink lines. We show that Raman can successfully distinguish between a representative sample of commercially available black ballpoint inks. This data has been converted into a database for future reference. A method for chronological sequencing of crossed ink lines has been developed using confocal Raman microscopy. Case study work has shown the feasibility of this approach.

Databases, Factual↗

PubMed1992

Structural analysis and comparison of cobrotoxin and cardiotoxins by near-IR Fourier transform Raman spectroscopy.

Venom toxins were isolated from Formosan cobra (Naja naja atra) by cation-exchange chromatography. The near-IR FT-Raman analytical method has been applied to the characterization and classification of the toxin components in their lyophilized forms. Structural analysis and comparison of various purified toxin fractions were made with respect to their amino acid compositions and near-IR Fourier-transform Raman spectra. The results indicate that the major secondary structure of cobra toxins including cobrotoxin and various cardiotoxins is mainly anti-parallel beta-pleated sheet as judged by the Raman signals at 1238 cm-1 (amide III) and 1671 cm-1 (amide I). It is also found that the relative Raman signal intensities of Tyr, Phe, Trp and Met residues in purified toxins correlate very well with the structural data obtained from amino acid analysis. The advantage and improvement of applying the near-IR FT-Raman spectroscopy to the unambiguous classification and comparison of venom toxins are evident and the discrepancies with previous Raman studies on these venom toxins are also revealed and discussed.

Animals↗

PubMed2006

Elucidation of the molecular structure of hydrated vanadium oxide species by X-ray absorption spectroscopy: correlation between the V...V coordination number and distance and the point of zero charge of the support oxide.

The effect of the point of zero charge (PZC) of the support oxide (Al(2)O(3), Nb(2)O(5), SiO(2) and ZrO(2)) on the molecular structure of hydrated vanadium oxide species has been investigated with EXAFS spectroscopy for low-loaded vanadium oxide catalysts. It was found that the degree of clustering (i.e., the V[dot dot dot]V coordination number) and the V...V distance increase with decreasing PZC of the support oxide; i.e., Al(2)O(3) (8.7) < ZrO(2) (7) < Nb(2)O(5) (3.3) < SiO(2) (2). Upon hydration the silica-supported vanadium oxide exhibited a clear alteration in the position of the oxygen atoms surrounding the central vanadium atom and the number of oxygen atoms around vanadium increased to five. In contrast, only minor changes in the molecular structure were detected for the alumina-, niobia- and zirconia-supported vanadium oxide catalysts. Based on a detailed analysis of the EXAFS data a semi-quantitative distribution of vanadium oxide species present on the surface of the different support oxides can be obtained, which is in good agreement with earlier characterization studies primarily making use of Raman spectroscopy.

Absorption↗

PubMed1982