58 research outputs found
Change in the thermionic work function of semiconductor powders exposed to electromagnetic radiation
The variations of the thermoelectronic work function of titanium dioxide, submitted to an ultraviolet or visible and infrared radiation, in the presence of oxygen, are studied by the vibrating condenser method. It is shown that during the ultraviolet irradiation, a desorption of a first species of oxygen simultaneously occurs with the adsorption of a second species of oxygen and that this phenomenon is found for any structure of TiO2 (anatase or rutile) any texture, oxygen pressure, radiation intensity, and nature of introduced dopes
Variation in the thermionic work function of semiconductor powders exposed to electromagnetic radiation
The study of the variation of thermoelectronic work function potential of TiO2 in the presence of isobutane shows that this gas is not adsorbed on this solid, in either the presence or the absence of ultraviolet radiation. These results, as well as those obtained in a previous work, lead to the mechanism of the photo-oxidation of isobutane at room temperature, in which excited atomic oxygen is the active species
Optimized intermolecular potential for nitriles based on Anisotropic United Atoms model
An extension of the Anisotropic United Atoms intermolecular potential model is proposed for nitriles. The electrostatic part of the intermolecular potential is calculated using atomic charges obtained by a simple Mulliken population analysis. The repulsion-dispersion interaction parameters for methyl and methylene groups are taken from transferable AUA4 literature parameters [Ungerer et al., J. Chem. Phys., 2000, 112, 5499]. Non-bonding Lennard-Jones intermolecular potential parameters are regressed for the carbon and nitrogen atoms of the nitrile group (–C≡N) from experimental vapor-liquid equilibrium data of acetonitrile. Gibbs Ensemble Monte Carlo simulations and experimental data agreement is very good for acetonitrile, and better than previous molecular potential proposed by Hloucha et al. [J. Chem. Phys., 2000, 113, 5401]. The transferability of the resulting potential is then successfully tested, without any further readjustment, to predict vapor-liquid phase equilibrium of propionitrile and n-butyronitrile
Increasing the Number of Thyroid Lesions Classes in Microarray Analysis Improves the Relevance of Diagnostic Markers
BackgroundGenetic markers for thyroid cancers identified by microarray analysis have offered limited predictive accuracy so far because of the few classes of thyroid lesions usually taken into account. To improve diagnostic relevance, we have simultaneously analyzed microarray data from six public datasets covering a total of 347 thyroid tissue samples representing 12 histological classes of follicular lesions and normal thyroid tissue. Our own dataset, containing about half the thyroid tissue samples, included all categories of thyroid lesions. Methodology/Principal Findings Classifier predictions were strongly affected by similarities between classes and by the number of classes in the training sets. In each dataset, sample prediction was improved by separating the samples into three groups according to class similarities. The cross-validation of differential genes revealed four clusters with functional enrichments. The analysis of six of these genes (APOD, APOE, CLGN, CRABP1, SDHA and TIMP1) in 49 new samples showed consistent gene and protein profiles with the class similarities observed. Focusing on four subclasses of follicular tumor, we explored the diagnostic potential of 12 selected markers (CASP10, CDH16, CLGN, CRABP1, HMGB2, ALPL2, ADAMTS2, CABIN1, ALDH1A3, USP13, NR2F2, KRTHB5) by real-time quantitative RT-PCR on 32 other new samples. The gene expression profiles of follicular tumors were examined with reference to the mutational status of the Pax8-PPARγ, TSHR, GNAS and NRAS genes. Conclusion/Significance We show that diagnostic tools defined on the basis of microarray data are more relevant when a large number of samples and tissue classes are used. Taking into account the relationships between the thyroid tumor pathologies, together with the main biological functions and pathways involved, improved the diagnostic accuracy of the samples. Our approach was particularly relevant for the classification of microfollicular adenomas
Density-Dependent Liquid Nitromethane Decomposition: Molecular Dynamics Simulations Based on ReaxFF
Variation du travail d’extraction thermoélectronique de semiconducteurs pulvérulents soumis à l’action d’un rayonnement électromagnétique
Les variations du travail d’extraction thermoélectronique du dioxyde de titane (anatase), soumis à l’action d’un rayonnement ultraviolet dans le vide, ont été étudiées à l’aide de la méthode du condensateur vibrant. Il est montré qu’après la photodésorption des espèces chimisorbées, principalement de l’oxygène, il est possible d’obtenir un état de référence reproductible pour ce solide. La cinétique de photodésorption de l’oxygène peut être interprétée à l’aide d’un mécanisme dans lequel les trous positifs réagissent sans énergie d’activation
Heats of formation of some energetic compounds containing NO/sub 2 / and/or NF/sub 2/ groups
The heats of formation of a series of polyatomic molecules containing NO/sub 2/ and/or NF/sub 2/ groups have been determined using the isodesmic procedure of Pople et al. (1970) at the SCF level. An excellent correlation between the semiempirical heats of formation and the corresponding available experimental data is observed. NO/sub 2/ and NF/sub 2/ groups have large and comparable destabilizing effects.Anglai
Impact damage detection in radome sandwich structures by traditional non destructive evaluation and fiber optic integrated health monitoring systems
Communication to : 10th international conference on adaptive structures and technologies - ICAST'99, Paris (France), October 11-13, 1999SIGLEAvailable from INIST (FR), Document Supply Service, under shelf-number : 22419, issue : a.1999 n.189 / INIST-CNRS - Institut de l'Information Scientifique et TechniqueFRFranc
Damage detection in a radome sandwich material with embedded fiber optic sensors
Communication to : 4th European conference on smart structures and materials, Harrogate (Great-Britain), July 6-8, 1998SIGLEAvailable from INIST (FR), Document Supply Service, under shelf-number : 22419, issue : a.1998 n.146 / INIST-CNRS - Institut de l'Information Scientifique et TechniqueFRFranc
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