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71.
Recently, we have developed a new tight-binding quantum chemical molecular dynamics program “Colors” for combinatorial computational chemistry approach. This methodology is based on our original tight-binding approximation and realized over 5000 times acceleration compared to the conventional first-principles molecular dynamics method. In the present study, we applied our new program to the simulations on various realistic large-scale models of the automotive three-way catalysts, ultrafine Pt particle/CeO2(111) support. Significant electron transfer from the Pt particle to the CeO2(111) surface was observed and it was found to strongly depend on the size of the Pt particle. Furthermore, our simulation results suggest that the reduction of the Ce atom due to the electron transfer from the Pt particle to the CeO2 surface is a main reason for the strong interaction of the Pt particle and CeO2(111) support. 相似文献
72.
Heat transfer in a resist-coated silicon wafer using a bake process is theoretically evaluated by modeling the three-dimensional diffusion process, focusing on the controllability of the lithographic performance of chemically amplified resists. Six models of various ambient conditions are used. The proximity gap between the hotplate and the wafer is found to have a dominant influence on the heat transfer process for the whole system. Because the atmosphere near the wafer acts as a thermal diffusion buffer layer, no temperature gradient occurs in the resist, even when it is subjected to convective heat transfer from the resist surface. Experimental results obtained by X-ray lithography confirm the calculation results. 相似文献
73.
74.
c轴定向氮化铝薄膜的制备 总被引:3,自引:0,他引:3
利用电子回旋共振 (ECR)微波增强化学气相沉积法 (PECVD)并使用氮气 (N2 ) ,氩气 (Ar)和AlCl3蒸气作为气源在直径为 6 .35cm的 (10 0 )单晶硅片表面制备了c轴定向氮化铝 (AlN)薄膜 ,并使用X射线衍射仪及其X射线特征能谱和扫描电镜 (SEM)分析了薄膜特征 ,研究了微波功率、基板温度和N2 流量对薄膜c轴定向的影响 ,得到了c轴偏差角小于 5°的高质量大面积AlN薄膜。 相似文献
75.
76.
Guido Momerency Karel Van Cauwenberghe Ernst A. De Bruijn Allan T. Van Oosterom Martin S. Highley Peter G. Harper 《Journal of separation science》1994,17(9):655-661
A method is described for the determination of the antitumor agent iphosphamide and seven of its metabolites in the plasma of cancer patients by multiple ion monitoring (MIM) GC-MS, mainly using the electron capture chemical ionization mode, of stable methyl and/or trifluoroacetyl derivatives. The metabolites determined were 2- and 3-dechloroethyliphosphamide, 4-ketoiphosphamide, carboxyiphosphamide, iphosphamide mustard, and two previously undetected metabolites, chloroethylamine and 1,3-oxazolidine-2-one. The isolation of the acidic and neutral metabolites was performed by solid phase extraction on to C18 adsorbent at pH 4. The weakly acidic iphosphamide mustard, isolated under these conditions with a yield of ca 50%, was measured as a stable methyltrifluoroacetyl derivative, in contrast to the corresponding phosphoramide mustard of the isomer cyclophosphamide which decomposes during derivatization. Chloroethylamine and 1,3-oxazolidine-2-one were isolated with high yield by liquid extraction with ethyl acetate at pH 10. Selective measurement of several metabolite derivatives with similar retention times was performed by multiple ion monitoring MS of specific ion masses, using a methyl phenyl siloxane capillary column previously employed in the study of cyclophosphamide metabolites. Quantitation of metabolites in patient plasma samples could be performed in the concentration range 3 ng to 20 μg per ml of original plasma. 相似文献
77.
Near-field thermoelastic imaging is a simple way to investigate the thermal and coupled thermoelastic properties of materials. A few microscopes, deriving from the atomic force microscope, have been used to observe and to quantify the samples observed. But the main problem is the absolute measurement of the temperature, because surface topography and thermal expansion contributions are not easily discernible. In the proposed SThEM (scanning thermoelastic microscope), the tip is excited at the resonance frequency of the cantilever and the sample is periodically heated by the Joule effect. Thus the static contributions (drift, topography) are reduced. Moreover, a radiometric sensor, operating in the far field, has been added in order to quantify the temperature. This multi-acquisition microscope enables one to investigate small objects at the nanoscale with complementary information at the micrometric scale. 相似文献
78.
Peter D. Verhaert Maria C. Prieto Conaway Tonya M. Pekar Ken Miller 《International journal of mass spectrometry》2007,260(2-3):177
Direct tissue imaging was performed on dissected insect tissue using a MALDI ion trap to visualize endogenous neuropeptides. Coupling tissue imaging to tandem MSn allows for the identification of previously known species and the ability to identify new ones by de novo sequencing, as searchable databases for insects are sparse. Direct tissue imaging is an attractive technique for the study of neuropeptides as minimal sample preparation is required prior to mass spectrometry. We successfully identified neuropeptides present in the corpora cardiaca and allata of Acheta domesticus (the house cricket). Diagnostic fragments at low m/z were used to distinguish between lipids and neuropeptides. The distribution of peptides appears to be more differentially localized than that of phospholipids, which seem to be more evenly distributed within the tissue. 相似文献
79.
Yoshio Umezawa 《化学:亚洲杂志》2006,1(3):304-312
Lately, scientists have explored approaches to developing fluorescent and/or bioluminescent indicators to pinpoint cellular processes in single living cells. These analytical methods have become a key technology for visualizing and detecting what was otherwise unseen in live cells. The target signaling included second messengers, protein phosphorylations, protein–protein interactions, and protein localizations. 相似文献
80.
用于成像侦察的CCD探测器成像分辨力的探讨 总被引:4,自引:0,他引:4
通过对CCD探测器成像过程的模拟,分析了CCD成像在像元几何尺寸及成像灰度方面的数字离散化特征对CCD成像分辨力的影响,给出了CCD成像分辨力与CCD像元分辨力的关系,同时也给出了在相应情况下的调制度传递函数(MTF)的数值。 相似文献