Search results for "Spectroscopy"
showing 10 items of 10293 documents
Algebraic study of pyramidal molecules in the very excited vibrational states.
2005
In the frame of the algebraic formalism U(p+1), we developed the method to build a vibrational Hamiltonian corresponding to a set of three identical oscillators. In order to test the model, we apply it to the molecules of stibine and arsine. We introduce a supplementary intermediate group K(3) inspired by the similar formalism used in nuclear physics. This group K(3) gives additional labels for classification of the energy levels. The eigenvalues of these invariant operators distinguish the local states of the molecule. Then we study the coupling of the vibrational modes of stretching and bending for the non plane XY3 molecules. We present the construction of an algebraic operator of coupli…
X-ray irradiation effects on fluorine-doped germanosilicate optical fibers
2014
International audience; We report an experimental investigation on the effects of fluorine codoping on the radiation response of Ge-doped Optical Fibers (OFs) obtained by three different drawing conditions. The OFs were irradiated with 10 keV X-rays up to 300 Mrad and studied by online Radiation-Induced-Attenuation (RIA) measurements. Confocal Micro- Luminescence (CML) and Electron Paramagnetic Resonance (EPR) were also employed to investigate the permanent radiation-induced-defects. The variation of the Germanium-Lone-Pair-Center (GLPC) and Non-Bridging- Oxygen-Hole-Centers (NBOHC) concentration with the radiation dose is investigated by CML, whereas the ones of the induced Ge(1), Ge(2) an…
Influence of neutron and gamma-ray irradiations on rad-hard optical fiber
2015
We investigated point defects induced in rad-hard Fluorine-doped optical fibers using both a mixed source of neutrons (fluences from 1015 to 1017 n/cm2) and γ-rays (doses from 0.02 to 2 MGy) and by a γ-ray source (dose up to 10 MGy). By combining several complementary spectroscopic techniques such as radiation-induced attenuation, confocal micro-luminescence, time-resolved photo-luminescence and electron paramagnetic resonance, we evidenced intrinsic and hydrogen-related defects. The comparison between the two irradiation sources highlights close similarities among the spectroscopic properties of the induced defects and the linear correlation of their concentration up to 1016 n/cm2. These r…
Determination of total phenolic compounds in compost by infrared spectroscopy
2016
Abstract Middle and near infrared (MIR and NIR) were applied to determine the total phenolic compounds (TPC) content in compost samples based on models built by using partial least squares (PLS) regression. The multiplicative scatter correction, standard normal variate and first derivative were employed as spectra pretreatment, and the number of latent variable were optimized by leave-one-out cross-validation. The performance of PLS-ATR-MIR and PLS-DR-NIR models was evaluated according to root mean square error of cross validation and prediction (RMSECV and RMSEP), the coefficient of determination for prediction ( R pred 2 ) and residual predictive deviation (RPD) being obtained for this la…
Chemometric determination of arsenic and lead in untreated powdered red paprika by diffuse reflectance near-infrared spectroscopy.
2008
It has been evaluated the potential of near-infrared (NIR) diffuse reflectance infrared Fourier transform spectroscopy (DRIFTS) as a way for non-destructive measurement of trace elements at microg kg(-1) level in foods, with neither physical nor chemical pre-treatment. Predictive models were developed using partial least-square (PLS) multivariate approaches based on first-order derivative spectra. A critical comparison of two spectral pre-treatments, multiplicative signal correction (MSC) and standard normal variate (SNV) was also made. The PLS models built after using SNV provided the best prediction results for the determination of arsenic and lead in powdered red paprika samples. Relativ…
The use of near-infrared spectrometry in the olive oil industry.
2010
The enormous possibilities offered by near-infrared (NIR) spectroscopy for the (on/in/at-line) quality control process of olive fruits, pastes, and oils are summarized throughout this paper. Special attention has been paid to the combination of NIR and chemometric treatments for the on-line analysis of olive fruits and also for the quality parameters evaluation on olive oils and pastes which can enhance the production of a high quality olive oil and the selection of olive fruit with superior properties. The implementation of NIR sensors in olive mills with successful results has also been reviewed and the commercial olive fruit and oil analyzers highlighted.
Near Infrared Spectroscopy Detection and Quantification of Herbal Medicines Adulterated with Sibutramine.
2015
There is an increasing demand for herbal medicines in weight loss treatment. Some synthetic chemicals, such as sibutramine (SB), have been detected as adulterants in herbal formulations. In this study, two strategies using near infrared (NIR) spectroscopy have been developed to evaluate potential adulteration of herbal medicines with SB: a qualitative screening approach and a quantitative methodology based on multivariate calibration. Samples were composed by products commercialized as herbal medicines, as well as by laboratory adulterated samples. Spectra were obtained in the range of 14,000-4000 per cm. Using PLS-DA, a correct classification of 100% was achieved for the external validatio…
Nondestructive Direct Determination of Heroin in Seized Illicit Street Drugs by Diffuse Reflectance near-Infrared Spectroscopy
2008
A new method has been developed for the fast and nondestructive direct determination of heroin in seized street illicit drugs using partial least-squares regression analysis of diffuse reflectance near-infrared spectra. Data were obtained from untreated samples placed in standard glass chromatography vials. A heterogeneous population of 31 samples, previously analyzed by a reference method, was employed to build the calibration model and to have a separated validation set. Based on the use of zero-order data for a calibration set of 21 samples, after standard normal variate and quadratic linear removed baseline correction (detrending), in the wavelength range from 1111 to 1647 nm, 8 PLS fac…
Testing of the region of Murcia soils by near infrared diffuse reflectance spectroscopy and chemometrics.
2008
A partial least squares near infrared (PLS-NIR) method has been developed for the determination of several physicochemical parameters in soils from different locations of the Region of Murcia. The method was based on the proper chemometric treatment of diffuse reflectance spectra of soil samples. Reflectance spectra were scanned from samples stored in glass vials in the NIR region between 800 and 2600 nm, averaging 36 scans per spectrum at a resolution of 8 cm(-1). Models were built using reference data of 39 samples selected from a dendrogram obtained after hierarchical cluster analysis of NIR spectra of soils and prediction parameters were established from a validation set of 109 addition…
Electronic and vibrational signatures of the Au102p-MBA44 cluster
2011
Optical absorption of a gold nanocluster of 102 Au atoms protected by 44 para-mercaptobenzoic acid (p-MBA) ligands is measured in the range of 0.05-6.2 eV (mid-IR to UV) by a combination of several techniques for purified samples in solid and solution phases. The results are compared to calculations for a model cluster Au(102)(SMe)(44) based on the time-dependent density functional theory in the linear-response regime and using the known structure of Au(102)(p-MBA)(44). The measured and calculated molar absorption coefficients in the NIR-vis region are comparable, within a factor of 2, in the absolute scale. Several characteristic features are observed in the absorption in the range of 1.5-…