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1.
Mathieu Boiret Anna de Juan Nathalie Gorretta Yves-Michel Ginot Jean-Michel Roger 《Analytica chimica acta》2015
Raman chemical imaging provides chemical and spatial information about pharmaceutical drug product. By using resolution methods on acquired spectra, the objective is to calculate pure spectra and distribution maps of image compounds. With multivariate curve resolution-alternating least squares, constraints are used to improve the performance of the resolution and to decrease the ambiguity linked to the final solution. Non negativity and spatial local rank constraints have been identified as the most powerful constraints to be used. 相似文献
2.
Lithium Insertion Mechanism in Iron-Based Oxyfluorides with Anionic Vacancies Probed by PDF Analysis
Dr. Damien Dambournet Dr. Karena W Chapman Dr. Mathieu Duttine Dr. Olaf Borkiewicz Dr. Peter J Chupas Dr. Henri Groult 《ChemistryOpen》2015,4(4):443-447
The mechanism of lithium insertion that occurs in an iron oxyfluoride sample with a hexagonal–tungsten–bronze (HTB)-type structure was investigated by the pair distribution function. This study reveals that upon lithiation, the HTB framework collapses to yield disordered rutile and rock salt phases followed by a conversion reaction of the fluoride phase toward lithium fluoride and nanometer-sized metallic iron. The occurrence of anionic vacancies in the pristine framework was shown to strongly impact the electrochemical activity, that is, the reversible capacity scales with the content of anionic vacancies. Similar to FeOF-type electrodes, upon de-lithiation, a disordered rutile phase forms, showing that the anionic chemistry dictates the atomic arrangement of the re-oxidized phase. Finally, it was shown that the nanoscaling and structural rearrangement induced by the conversion reaction allow the in situ formation of new electrode materials with enhanced electrochemical properties. 相似文献
3.
E. Mathieu Y. Foucher P. Dellamonica J. P. Daures 《Methodology and Computing in Applied Probability》2007,9(3):389-397
In AIDS control, physicians have a growing need to use pragmatically useful and interpretable tools in their daily medical
taking care of patients. Semi-Markov process seems to be well adapted to model the evolution of HIV-1 infected patients. In
this study, we introduce and define a non homogeneous semi-Markov (NHSM) model in continuous time. Then the problem of finding
the equations that describe the biological evolution of patient is studied and the interval transition probabilities are computed.
A parametric approach is used and the maximum likelihood estimators of the process are given. A Monte Carlo algorithm is presented
for realizing non homogeneous semi-Markov trajectories. As results, interval transition probabilities are computed for distinct
times and follow-up has an impact on the evolution of patients.
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In this paper one specifies the ergodic behavior of the 2D-stochastic Navier–Stokes equation by giving a Large Deviation Principle for the occupation measure for large time. It describes the exact rate of exponential convergence. The considered random force is non-degenerate and compatible with the strong Feller property. 相似文献
7.
Two bases of states are presented for modules of the graded parafermionic conformal field theory associated to the coset
. The first one is formulated in terms of the two fundamental (i.e., lowest-dimensional) parafermionic modes. In that basis, one can identify the completely reducible representations, i.e., those whose modules contain an infinite number of singular vectors; the explicit form of these vectors is also given. The second basis is a quasiparticle basis, determined in terms of a modified version of the
exclusion principle. A novel feature of this model is that none of its bases are fully ordered and this reflects a hidden structural
exclusion principle. 相似文献
8.
Using the full-potential linearized augmented plane wave (FP-LAPW) method, we have studied the effect of chemistry on the average intercalation voltage (AIV) caused by the Na ions intercalating into transition metal oxides. The effect of transition metal was systematically studied by varying M=Co, Ni and Mn in NaMO2 and fixing the α-NaFeO2 layered structure. The effect of the guest atoms into the host material is discussed in terms of the structural and electronic properties. Comparatively to Li intercalation, a significant electron transfer towards transition metal was found. This observation suggests that the transition metal contribute to the AIV determination and confirms the common assumption that intercalated electron reduces M4+ to M3+. 相似文献
9.
We investigate the links between Sobolev and Nash inequalities, capacity and hitting times estimates and ultracontractive semigroups, in a non-symmetric setting. 相似文献
10.
Commercial grade 2-butyne-1,4-diol has been used in electroplating for several years. In laboratory experiments, its presence in the electrolyte increases the current efficiency of zinc electro-winning. Its chemical behaviour in solution is not well known. The present paper indicates that the brownish technical grade 2-butyne-1,4-diol contains the monomer, the dimer and some trimer. Pure monomeric 2-butyne-1,4-diol is a white solid obtained by evaporation of the technical grade product. The monomer is slowly transformed into dimer and possibly into a trimer when dissolved in water. Various analytical techniques were used in the study of this system. Factor analysis with column cross-validation was applied to chromatographic data to help in the resolution of the system. 相似文献