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At least 199 records · Page 11Linked to original sources
PubMed2000

[Damage mechanisms of molecule in DNA aqueous solution induced by ultraviolet radiation].

After ultraviolet radiation treated at various time, the Raman spectra of herring sperm DNA in aqueous solution were presented. The analytic results showed that first, the out-ring amino group numeration of cytosine C4 site have reducing in the form of Raman hypochromicity; but C4O ketone group of derivative uracil assumed have not emerge with Raman hyperchromiciuy, in UV-induced DNA only with water molecule join in; second, the electron cloud of the main-groove side in pyrimidine ring have a tendency of slanting toward C6 site, which was beneficial to the deamination of C-->U transition, after some cytosine formed dipyrimidine with another adjacent pyrimidine; and third, with UV radiation, the characteristic peak 616 cm-1 of uracil N3C4 has arisen. Its very important, because the quality of the N3C4 bond have a great difference between cytosine and uracil. The result have not supported the model that cytosine can direct to be come off amino group for form the ketone type uracilo depend on UV-induced, therefore we have found that the process of get involved in imino tautomer state was probable exist by Raman spectroscopic technique.

DNA Damage↗
PubMed2001

Molecular dynamics simulations of stratum corneum lipid models: fatty acids and cholesterol.

We report the results of an investigation on stratum corneum lipids, which present the main barrier of the skin. Molecular dynamics simulations, thermal analysis and FTIR measurements were applied. The primary objective of this work was to study the effect of cholesterol on skin structure and dynamics. Two molecular models were constructed, a free fatty acid bilayer (stearic acid, palmitic acid) and a fatty acid/cholesterol mixture at a 1:1 molar ratio. Our simulations were performed at constant pressure and temperature on a nanosecond time scale. The resulting model structures were characterized by calculating surface areas per headgroup, conformational properties, atom densities and order parameters of the fatty acids. Analysis of the simulations indicates that the free fatty acid fraction of stratum corneum lipids stays in a highly ordered crystalline state at skin temperatures. The phase behavior is strongly influenced when cholesterol is added. Cholesterol smoothes the rigid phases of the fatty acids: the order of the hydrocarbon tails (mainly of the last eight bonds) is reduced, the area per molecule becomes larger, the fraction of trans dihedrals is lower and the hydrophobic thickness is reduced. The simulation results are in good agreement with our experimental data from FTIR analysis and NIR-FT Raman spectroscopy.

Body Temperature↗
PubMed2005

The RAMANITA method for non-destructive and in situ semi-quantitative chemical analysis of mineral solid-solutions by multidimensional calibration of Raman wavenumber shifts.

The "RAMANITA" method, for semi-quantitative chemical analysis of mineral solid-solutions by multidimensional calibration of Raman wavenumber shifts and mathematical calculation by simultaneous equations, is published here in detail in English for the first time. It was conceived by the present writer 20 years ago for binary and ternary pyroxene and garnet systems. The mathematical description was set out in 1989, but in an abstract in an obscure French special publication. Detailed "step-by-step" calibration of two garnet ternaries, followed by their linking, in the early 1990s provided a hexary garnet database. Much later, using this garnet database, which forms part of his personal database called RAMANITA, the present writer began to develop the method by improving the terminology, automating the calculations, discussing problems and experimenting with different real chemical problems in archaeometry. Although this RAMANITA method has been very briefly mentioned in two recent books, the necessary full mathematical explanation is given only here. The method will find application in any study which requires obtaining a non-destructive semi-quantitative chemical analysis from mineral solid solutions that cannot be analysed by any destructive analytical method, in particular for archaeological, geological or extraterrestrial research projects, e.g. Recently some other workers have begun deducing chemical compositions from Raman wavenumber shifts in multivariate chemical space, but the philosophical approach is quite different.

Calibration↗
PubMed2006

Microscopic and spectroscopic characterization of paintbrush-like single-walled carbon nanotubes.

Understanding and controlling the chemical reactivity of carbon nanotubes (CNTs) is a fundamental requisite to prepare novel nanoscopic structures with practical uses in materials applications. Here, we present a comprehensive microscopic and spectroscopic characterization of carbon nanotubes which have been chemically modified. Specifically, scanning tunneling microscopy (STM) investigations of short-oxidized single-walled carbon nanotubes (SWNTs) functionalized with aliphatic chains via amide reaction reveal the presence of bright lumps both on the sidewalls and at the tips. The functionalization pattern is consistent with the oxidation reaction which mainly occurs at the nanotube tips. Thermogravimetric analysis (TGA), steady-state electronic absorption (UV-vis-NIR), and Raman spectroscopic studies confirm the STM observations.

Amides↗
PubMed2004

The detection of drugs of abuse in fingerprints using Raman spectroscopy I: latent fingerprints.

This paper describes the application of Raman spectroscopy to the detection of exogenous substances in latent fingerprints. The scenario considered was that of an individual handling a substance and subsequently depositing a contaminated fingerprint. Five drugs of abuse (codeine phosphate, cocaine hydrochloride, amphetamine sulphate, barbital and nitrazepam) and five non-controlled substances of similar appearance, which may be used in the adulteration of drugs of abuse (caffeine, aspirin, paracetamol, starch and talc), were studied in both sweat-rich and sebum-rich latent fingerprints. The substances studied could be clearly distinguished using their Raman spectra and were all successfully detected in latent fingerprints. Photobleaching was necessary to reduce the fluorescence background in the spectra of some substances. Raman spectra obtained from the substances in sweat-rich latent fingerprints were of a similar quality to spectra that obtained from the substances under normal sampling conditions. Interfering Raman bands arising from latent fingerprint material were present in the spectra obtained from the substances in sebum-rich fingerprints. These bands did not prevent identification of the substances and could be successfully removed by spectral subtraction. The most difficult aspect of the detection of these substances in latent fingerprints was visually locating the substance in the fingerprint in order to obtain a Raman spectrum.

Dermatoglyphics↗
PubMed2002

Synthesis and vibrational spectrum of antimony phosphate, SbPO4.

SbPO4 was synthesized via a new route by reacting antimony metal with meta-phosphoric acid, (HPO3)n at high temperatures. The Raman and IR spectra of the title compound were recorded and the vibrational modes assigned on the basis of a factor group analysis. The internal vibrations are derived from tetrahedral PO4 units (approaching Sb[PO4]) by the correlation method, although the structure is polymeric and not ionic.

Antimony↗
PubMed2005

Spectroscopic evaluation of the surface quality of apple.

Different spectroscopic techniques based on infrared and Raman were used to evaluate the natural wax and related surface quality of apple fruit. Transmission near-infrared (NIR) spectroscopy was applied to solutions of single wax components and extracted apple wax. Fourier transform infrared (FTIR) spectroscopy was used for transmission measurements of wax films on NaCl crystals, diffuse reflectance spectroscopy (DRIFTS) was used to analyze wax powders, and FT-Raman spectroscopy was explored to examine intact wax layers on whole fruit. The natural wax layers of apple fruit from a maximum of three different cultivars (Jonagold, Jonagored, and Elshof) from three picking dates (early, commercial, and late), three controlled atmosphere storage durations (0, 4, and 8 months), and three shelf life periods (0, 1, and 2 weeks) within each storage duration were examined. Canonical discriminant analysis was carried out on the first derivative NIR and FTIR spectra to describe the information contained in the spectra. Discrimination between cultivars and between storage duration based on wax layer properties was achieved with reasonable accuracy from both of the techniques. Information contained in the spectra of apples from different picking dates and shelf life periods was not significant. Differences between cultivars and storage periods in this analysis mostly related to differences in the number of aliphatic chains (e.g., alkanes and esters) and the presence of alpha-farnesene. No satisfactory results were obtained by means of Raman spectroscopy and DRIFTS.

Fruit↗
PubMed2004

Following ligand binding and ligand reactions in proteins via Raman crystallography.

Raman crystallography permits the monitoring of chemical events in single-protein crystals in real time. Using a Raman microscope, it is possible to obtain protein Raman spectroscopic data of unprecedented quality and stability. The latter features allow us to obtain the Raman spectrum for small molecules soaking into crystals under normal (nonresonance) Raman conditions. Thus, via an approach utilizing Raman difference spectroscopy, we can quantitate the amount of ligand in the crystal, determine the chemistry of inhibitor-protein interactions, and follow chemical reactions in the active site on the time scale of minutes. While providing unique chemical insights, these data also provide an invaluable guide for determining the conditions for flash-freezing crystals for X-ray crystallographic analysis. In addition, the Raman difference spectra often contain contributions from protein modes due to protein conformational changes occurring upon ligand binding. These features allow us to probe events ranging from small cooperative conformational changes to massive and unexpected secondary structure changes in the crystal. An experimental advantage of Raman crystallography is that the data can be collected from crystals in situ, in sitting or hanging drops, under the conditions used to grow the crystals.

Ligands↗