Search results for "absorption."
showing 10 items of 2682 documents
Defects in yttrium aluminium perovskite and garnet crystals: atomistic study
2000
Native and impurity point defects in both yttrium aluminium perovskite (YAP) and garnet (YAG) crystals are studied in the framework of the pair-potential approximation coupled with the shell model description of the lattice ions. The calculated formation energies for native defects suggest that the antisite disorder is preferred over the Frenkel and Schottky-like disorder in both YAP and YAG. The calculated values of the distortion caused by the antisite YAl x in the lattice turn out to be in an excellent agreement with the EXAFS measurements. In non-stoichiometric compounds, the calculated reaction energies indicate that excess Y2 O3 or Al2 O3 is most likely to be accommodated by the forma…
New Regularization Method for EXAFS Analysis
2007
As an alternative to the analysis of EXAFS spectra by conventional shell fitting, the Tikhonov regularization method has been proposed. An improved algorithm that utilizes a priori information about the sample has been developed and applied to the analysis of U L3‐edge spectra of soddyite, (UO2)2SiO4⋅2H2O, and of U(VI) sorbed onto kaolinite. The partial radial distribution functions g1(UU), g2(USi), and g3(UO) of soddyite agree with crystallographic values and previous EXAFS results.
Intestinal conversion of linoleic acid to arachidonic acid in the rat
1993
Abstract The arachidonic acid (C20:4, n-6) appearing in intestinal lymph during linoleic acid (C18:2, n-6) absorption may originate from enterocyte synthesis or from the liver either after secretion in biliary phospholipids at the same time dietary linoleic acid absorption occurs or via plasma. The radioactivity measured in the total bile collected during the 6 hours of linoleic acid absorption is too small to explain hepatic origin of the C20:4 detected by high performance liquid chromatography analysis of labeled fatty acids recovered in the lymph, in the intestinal mucosa, and the intestinal wall at the peak of linoleic acid intestinal absorption. This study confirms the probability that…
Measurement and correction of atmospheric effects in O<inf>2</inf>-B and O<inf>2</inf>-A absorption bands in the context of s…
2014
Under sun-light illumination, the shape of the atmospheric oxygen bands (O 2 -B, 687 nm and O 2 -A, 760 nm) of the vegetation radiance is modified by chlorophyll fluorescence. However for far-range measurements, atmospheric effects also modify this shape. In this study, measurements in O 2 -A and O 2 -B absorption bands have been performed at different altitudes up to 3123 m over bare soil and wheat fields. It is observed that bands depth increase significantly with altitude. In O 2 -B band, the total magnitude of variation is of the same order of magnitude as the change induced by vegetation fluorescence, while it is much greater in O 2 -A band. We used MODTRAN 4 to correct measurements fr…
Theoretical electronic spectra of 2-aminopurine in vapor and in water
2006
The accurate quantum chemical CASSCF and CASPT2 methods combined with a Monte Carlo procedure to mimic solvation effects have been used in the calculation of the spectroscopic properties of two tautomers of 2-aminopurine (2AP). Absorption and emission spectra have been simulated both in vacuum and in aqueous environment. State and transition energies and properties have been obtained with high accuracy, leading to the assignment of the most important spectroscopic features. The lowest-lying 1 (,*) ( 1 La) state has been determined as responsible for the first band in the absorption spectrum and also for the strong fluorescence observed for the system in water. The combined approach used in …
Defect Luminescence of LiBaF3 Perovskites
2000
Blue and red luminescence of undoped LiBaF3 crystals was studied. A broad, isotropic photoluminescence band centered at 410 nm can be excited by 210 nm — 275 nm light in as grown crystals. After X-irradiation at RT a new narrower, anisotropic luminescence band appears at 425 mn which has an additional excitation band at 290 nm. The X-irradiation also creates the F- type centres and anisotropic centres with an absorption band at 630 nm and a luminescence band at 700 nm. No F- centre luminescence is observed. All the other centres mentioned act as radiative recombination centers as well. It is speculated that the origin of the blue luminescence is due to oxygen defects and that the red lumine…
Experimental investigation of holes interaction effect on the sound absorption coefficient of micro-perforated panels under high and medium sound lev…
2011
Abstract This paper experimentally investigates the holes interaction effect on the sound absorption coefficient of micro-perforated panels under high and medium sound levels. The theoretical formulations are based on a semi-empirical approach and the use of Fok’s function to model the acoustic surface impedance. For the high sound level regime, an empirical power law involving three coefficients is adapted. It is shown theoretically and experimentally that these coefficients can lead to optimized absorption performance and particularly, a formula relating the critical Reynolds number (Reynolds number value after which the absorption coefficient decreases with the increase of sound level) a…
A comprehensive study of structure and properties of nanocrystalline zinc peroxide
2022
Abstract Nanocrystalline zinc peroxide (nano-ZnO2) was synthesized through a hydrothermal process and comprehensively studied using several experimental techniques. Its crystal structure was characterized by X-ray diffraction, and the average crystallite size of 22 nm was estimated by Rietveld refinement. The temperature-dependent local environment around zinc atoms was reconstructed using reverse Monte Carlo (RMC) analysis from the Zn K-edge X-ray absorption spectra. The indirect band gap of about 4.6 eV was found using optical absorption spectroscopy. Lattice dynamics of nano-ZnO2 was studied by infrared and Raman spectroscopy. In situ Raman measurements indicate the stability of nano-ZnO…
Unexpected Scholl Reaction of 6,7,13,14-Tetraarylbenzo[k]tetraphene: Selective Formation of Five-Membered Rings in Polycyclic Aromatic Hydrocarbons
2016
Cyclodehydrogenation is a versatile reaction that has enabled the syntheses of numerous polycyclic aromatic hydrocarbons (PAHs). We now describe a unique Scholl reaction of 6,7,13,14-tetraarylbenzo[k]tetraphene, which "unexpectedly" forms five-membered rings accompanying highly selective 1,2-shift of aryl groups. The geometric and optoelectronic nature of the resulting bistetracene analogue with five-membered rings is comprehensively investigated by single-crystal X-ray, NMR, UV-vis absorption, and cyclic voltammetry analyses. Furthermore, a possible mechanism is proposed to account for the selective five-membered-ring formation with the rearrangement of the aryl groups, which can be ration…
Biowaiver Monographs for Immediate-Release Solid Oral Dosage Forms: Enalapril
2018
Literature data relevant to the decision to allow a waiver of in vivo bioequivalence testing for the marketing authorization of immediate-release, solid oral dosage forms containing enalapril maleate are reviewed. Enalapril, a prodrug, is hydrolyzed by carboxylesterases to the active angiotensin-converting enzyme inhibitor enalaprilat. Enalapril as the maleate salt is shown to be highly soluble, but only 60%-70% of an orally administered dose of enalapril is absorbed from the gastrointestinal tract into the enterocytes. Consequently, enalapril maleate is a Biopharmaceutics Classification System class III substance. Because in situ conversion of the maleate salt to the sodium salt is sometim…