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1.
The collision-generated hybridization which has been found responsible for the on-site mixing of the atomic-likef-state and the band-liked states in mixed valence solids has been studied for the cerium solid. A practical expression which depends on the lattice
constant and temperature has been obtained for the collision-generated hybridization. Numerical calculations show that the
valence varies continuously with lattice constant and that temperature makes the transition smoother. The collision-generated
hybridization is found to be of significant strength in the intermediate valence regime; but over a wide range of the valence
near 3.5 it varies rather slowly without preferring a particular valence. Factors which can assist the collision-generated
hybridization in stabilizing the mixed valence phase at a particular lattice constant are discussed. 相似文献
2.
The structures of loxylostosidine A and B, two new sulfoxide - containing monoterpene alkaloid glucosides, are described. 相似文献
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4.
Arghya Sadhukhan Debashis Sahu Dr. Bishwajit Ganguly Dr. Noor‐ul H. Khan Dr. Rukhsana I. Kureshy Dr. Sayed H. R. Abdi Dr. E. Suresh Dr. Hari C. Bajaj 《Chemistry (Weinheim an der Bergstrasse, Germany)》2013,19(42):14224-14232
A chiral oxazoline‐based organocatalyst has been found to efficiently catalyze asymmetric Strecker reactions of various aromatic and aliphatic N‐benzhydrylimines with trimethylsilyl cyanide (TMSCN) as a cyanide source at ?20 °C to give α‐aminonitriles in high yield (96 %) with excellent chiral induction (up to 98 % ee). DFT calculations have been performed to rationalize the enantioselective formation of the product with the organocatalyst in these reactions. The organocatalyst has been characterized by single‐crystal X‐ray diffraction analysis, as well as by other analytical methods. This protocol has been extended to the synthesis of the pharmaceutically important drug molecule levamisole in high yield and with high enantioselectivity. 相似文献
5.
Ratan Kotipalli Bart Vermang Viktor Fjällström Marika Edoff Romain Delamare Denis Flandre 《固体物理学:研究快报》2015,9(3):157-160
The benefits of gallium (Ga) grading on Cu(In,Ga)Se2 (CIGS) solar cell performance are demonstrated by comparing with ungraded CIGS cells. Using drive‐level capacitance profiling (DLCP) and admittance spectroscopy (AS) analyses, we show the influence of Ga grading on the spatial variation of deep defects, free‐carrier densities in the CIGS absorber, and their impact on the cell's open‐circuit voltage Voc. The parameter most constraining the cell's Voc is found to be the deep‐defect density close to the space charge region (SCR). In ungraded devices, high deep‐defect concentrations (4.2 × 1016cm–3) were observed near the SCR, offering a source for Shockley–Read–Hall recombination, reducing the cell's Voc. In graded devices, the deep‐defect densities near the SCR decreased by one order of magnitude (2.5 × 1015 cm–3) for back surface graded devices, and almost two orders of magnitude (8.6 × 1014 cm–3) for double surface graded devices, enhancing the cell's Voc. In compositionally graded devices, the free‐carrier density in the absorber's bulk decreased in tandem with the ratio of gallium to gallium plus indium ratio GGI = Ga/(Ga + In), increasing the activation energy, hindering the ionization of the defect states at room temperature and enhancing their role as recombination centers within the energy band. (© 2015 WILEY‐VCH Verlag GmbH &Co. KGaA, Weinheim) 相似文献
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7.
A generalized single‐particle model for the prediction of combustion dynamics of a porous coal char in a fluidized bed is analyzed in the present work using a volume reaction model (VRM). A fully transient nonisothermal model involving both heterogeneous and homogeneous chemical reactions, multicomponent mass transfer, heat transfer with intraparticle resistances, as well as char structure evolution is developed. The model takes into account convection and diffusion inside the particle pores, as well as in the boundary layer. By addressing the Stefan flow originated due to nonequimolar mass transfer and chemical reactions, this work enables a more realistic analysis of the combustion process. The model, characterized by a set of partial differential equations coupled with nonlinear boundary conditions, is solved numerically using the implicit finite volume method (FVM) with a FORTRAN code developed in‐house. The use of a FVM for solving such an elaborate char combustion model, based on the VRM, was not reported earlier. Experiments consisting of fluidized‐bed combustion of a single char particle were carried out to determine the internal surface area of a partially burned char particle and to enable model validation. Predicted results are found to compare well with the reported experimental results for porous coal char combustion. The effects of various parameters (i.e., bulk temperature and initial particle radius) are examined on the dynamics of combustion of coal char. The phenomena of ignition and extinction are also investigated. © 2010 Wiley Periodicals, Inc. Int J Chem Kinet 42: 299–315, 2010 相似文献
8.
A two dimensional simulation study was performed to investigate the photoacoustic signal properties of non-aggregated and aggregated erythrocytes. Spatial distributions of non-aggregated blood samples were generated by employing a Monte Carlo method and aggregated blood samples were simulated using a hexagonal packing scheme. For the non-aggregating case photoacoustic signals demonstrated a monotonic rise with hematocrit. For the aggregating case it was found that spectral (<20 MHz) intensity increased (11 dB at 15.6 MHz) when the aggregate size increased. This study strongly suggests that the assessment of erythrocyte aggregation level in human blood might be possible by using a photoacoustic spectroscopic method. 相似文献
9.
We have described here the physical basis for lasing without population inversion (LWOPI). This type of amplification is obtained
basically by two mechanisms: (i) one is based on atomic interference and (ii) the other is based on Fano-type interference.
We have shown here, in H2 molecules, amplification without population inversion is feasible by considering both the mechanisms. 相似文献
10.
Mujtaba SF Dwivedi A Mudiam MK Ali D Yadav N Ray RS 《Photochemistry and photobiology》2011,87(5):1067-1076
The aim of this study was to analyze the photostability and phototoxicity mechanism of anthracene (ANT) in a human skin epidermal cell line (HaCaT) at ambient environmental intensities of sunlight/UV‐R (UV‐A and UV‐B). Photomodification of ANT under sunlight/UV‐R exposure produced two photoproducts, anthrone and 9,10 anthracenedione. Generation of 1O2, O2?? and ?OH was measured under UV‐R/sunlight exposure. Involvement of reactive oxygen species (ROS) was further substantiated by their quenching with free radical quenchers. Photodegradation of 2‐deoxyguanosine and linoleic acid peroxidation showed that ROS were mainly responsible for ANT phototoxicity. ANT generates significant amount of intracellular ROS in cell line. Maximum cell viability (85%) was reduced under sunlight exposure (30 min). Results of MTT assay accord NRU assay. ANT (0.01 μg mL?1) induced cell‐cycle arrest at G1 phase. RT‐PCR demonstrated constitutive inducible mRNA expression of CYP 1A1 and 1B1 genes. Photosensitive ANT upregulates CYP 1A1 (2.2‐folds) and 1B1 (4.1‐folds) genes. Thus, the study suggests that ROS and DNA damage were mainly responsible for ANT phototoxicity. ANT exposure may be deleterious to human health at ambient environmental intensities reaching the earth’s surface through sunlight. 相似文献