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101.
Abstract Optical absorption bands and epr spectra of NaCl: Mn++ X-irradiated at liquid nitrogen and room temperature are studied. Manganese epr spectra are divided into three classes, based on the value of hyperfme splitting constants. It is shown that the epr spectra with the hyperhe splitting constants of around 250 × 10-4, 80 × 10?4 and 20 × 10?4 cm?1 are caused by Mn+, Mn++ and Mn9, respectively. Formation of several manganese centers by X-irradiation is discussed. It is suggested that optical absorption bands at 410 and 440 nm are caused by MnO at the lattice site and that the MnO center which gives an epr spectrum with A = 15. 5 × 10?4 cm?1 is associated with a Mn0 center which is not at a substitutional site. 相似文献
102.
A new method of deriving the random fraction in a disordered channel : rom dechanneling experiments is described. In this method backscattering spectra obtained at two different doses are employed, with an assumption on the dose dependence of the defect concentration. The method is applied to the experimental data for B-implanted Si and it is found that the obtained random fraction is similar to the result of the diffusion calculation made by the present authors. The depth profiles of defects are also obtained and compared with the result of theoretical calculations. 相似文献
103.
Jun Hayashi Nozomu Hashimoto Noriaki Nakatsuka Hirofumi Tsuji Hiroaki Watanabe Hisao Makino Fumiteru Akamatsu 《Proceedings of the Combustion Institute》2013,34(2):2435-2443
Soot formation characteristics of a lab-scale pulverized coal flame were investigated by performing carefully controlled laser diagnostics. The spatial distributions of soot volume fraction and the pulverized coal particles were measured simultaneously by laser induced incandescence (LII) and Mie scattering imaging, respectively. In addition, the radial distributions of the soot volume fraction were compared with the OH radical fluorescence, gas temperature and oxygen concentration obtained in our previous studies [1], [2]. The results indicated that the laser pulse fluence used for LII measurement should be carefully controlled to measure the soot volume fraction in pulverized coal flames. To precisely measure the soot volume fraction in pulverized coal flames using LII, it is necessary to adjust the laser pulse fluence so that it is sufficiently high to heat up all the soot particles to the sublimation temperature but also sufficiently low to avoid including a too large of a change in the morphology of the soot particles and the superposition of the LII signal from the pulverized coal particles on that from the soot particles. It was also found that the radial position of the peak LII signal intensity was located between the positions of the peak Mie scattering signal intensity and peak OH radical signal intensity. The region, in which LII signal, OH radical fluorescence and Mie scattering coexisted, expanded with increasing height above the burner port. It was also found that the soot formation in pulverized coal flames was enhanced at locations where the conditions of high temperature, low oxygen concentration and the existence of pulverized coal particles were satisfied simultaneously. 相似文献
104.
We introduce a notion of (α, β, γ) triple system which generalizes the familiar generalized Jordan triple system. We then discuss its realization by some bilinear algebras and vice versa. We also give a characterization of the structurable algebra of Allison in terms of (?1, 1) Freudenthal–Kantor triple system by imposing some additional triple product constraints. 相似文献
105.
Xiang L Ishii T Hosoda K Kamiya A Enomoto M Nameki N Inoue Y Kubota K Kohno T Wakamatsu K 《Journal of magnetic resonance (San Diego, Calif. : 1997)》2008,194(1):147-151
Prevention of aggregation is critical for analyzing protein structure. Non-detergent sulfobetaines (NDSBs) are known to prevent protein aggregation, but the molecular mechanisms of their anti-aggregation effect are poorly understood. To elucidate the underlying mechanisms, we analyzed the effects of dimethylethylammonium propane sulfonate (NDSB-195) on acidic fibroblast growth factor (aFGF). NDSB-195 (0.5M) increased both aggregation and denaturation temperatures of aFGF by 4 degrees C. Chemical shift perturbation analyses indicated that many affected residues were located at the junction between a beta-strand (or 3(10)-helix) and a loop, irrespective of the chemical properties of the residue. The apparent dissociation constants of the interaction ranged from 0.04 to 3M, indicating weak interactions between NDSB and protein molecules. 相似文献
106.
Funakawa Daiju Matsuzawa Yasumichi Sasaki Itaru Suzuki Akito Teranishi Noriaki 《Letters in Mathematical Physics》2020,110(9):2471-2490
Letters in Mathematical Physics - We study time operators for discrete-time quantum systems. Quantum walks are typical examples. We construct time operators for one-dimensional homogeneous quantum... 相似文献
107.
Gert-Jan Bekker Mitsugu Araki Kanji Oshima Yasushi Okuno Narutoshi Kamiya 《Journal of computational chemistry》2020,41(17):1606-1615
Multicanonical molecular dynamics based dynamic docking was used to exhaustively search the configurational space of an inhibitor binding to the N-terminal domain of heat-shock protein 90 (Hsp90). The obtained structures at 300 K cover a wide structural ensemble, with the top two clusters ranked by their free energy coinciding with the native binding site. The representative structure of the most stable cluster reproduced the experimental binding configuration, but an interesting conformational change in Hsp90 could be observed. The combined effects of solvation and ligand binding shift the equilibrium from a preferred loop-in conformation in the unbound state to an α-helical one in the bound state for the flexible lid region of Hsp90. Thus, our dynamic docking method is effective at predicting the native binding site while exhaustively sampling a wide configurational space, modulating the protein structure upon binding. 相似文献
108.
Kinetics of hydration of CaO---Al2O3---P2O5 and Na2O---CaO---B2O3---Al2O3 glasses in an autoclave at high temperatures and high pressures has been investigated. The hydration of the phosphate glasses may occur as a result of hydrolysis of glass constituents to form orthophosphate crystals. Cabal glasses which do not contain any alkali oxides have shown a quite high resistance to water. Substitution of sodium for calcium deteriorates the chemical durability of Cabal glasses. 相似文献
109.
Demizu Y Kubo Y Miyoshi H Maki T Matsumura Y Moriyama N Onomura O 《Organic letters》2008,10(21):5075-5077
The first catalytic process for protection of hydroxyl groups in sugars has been developed. Highly regioselective protection was accomplished along with high chemical yield. The regioselectivity of the benzoylation was realized as an intrinsic character of sugars based on a stereorelationship among their hydroxyl groups. Furthermore, complete protection of alpha-methyl glucoside and beta-methyl xyloside was accomplished. 相似文献
110.
ASEDock is a novel docking program based on a shape similarity assessment between a concave portion (i.e., concavity) on a protein and the ligand. We have introduced two novel concepts into ASEDock. One is an ASE model, which is defined by the combination of alpha spheres generated at a concavity in a protein and the excluded volumes around the concavity. The other is an ASE score, which evaluates the shape similarity between the ligand and the ASE model. The ASE score selects and refines the initial pose by maximizing the overlap between the alpha spheres and the ligand, and minimizing the overlap between the excluded volume and the ligand. Because the ASE score makes good use of the Gaussian-type function for evaluating and optimizing the overlap between the ligand and the site model, it can pose a ligand onto the docking site relatively faster and more effectively than using potential energy functions. The posing stage through the use of the ASE score is followed by full atomistic energy minimization. Because the posing algorithm of ASEDock is free from any bias except for shape, it is a very robust docking method. A validation study using 59 high-quality X-ray structures of the complexes between drug-like molecules and the target proteins has demonstrated that ASEDock can faithfully reproduce experimentally determined docking modes of various druglike molecules in their target proteins. Almost 80% of the structures were reconstructed within the estimated experimental error. The success rate of approximately 98% was attained based on the docking criterion of the root-mean-square deviation (RMSD) of non-hydrogen atoms (< or = 2.0 A). The markedly high success of ASEDock in redocking experiments clearly indicates that the most important factor governing the docking process is shape complementarity. 相似文献