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941.
942.
利用改进的Ginder-Epstein模型计算了翠绿亚胺聚合物在参数V4,0取值于1.8~35.8 eV的自洽变分基态,并通过芳环扭角的变化来估算聚合物压强,给出了V4,0,芳环扭角及能隙与理论压强之间的最小二乘拟合.结果表明随此参数的增大,芳环扭角和能隙都缩减而理论压强升高.当理论压强由零压增至3.0 GPa左右时,能隙先快后慢从2.0 eV减小至最小值0.87 eV.这理论与该聚合物的高压电导测试结果一致. 相似文献
943.
Austin C. Li Jie Ding Xiangyu Jiang Jon Denissen 《Rapid communications in mass spectrometry : RCM》2009,23(18):3003-3012
The relatively high background matrix in in vivo samples typically poses difficulties in drug metabolite identification, and causes repeated analytical runs on unit resolution liquid chromatography/mass spectrometry (LC/MS) systems before the completion of biotransformation characterization. Ballpark parameter settings for the LTQ‐Orbitrap are reported herein that enable complete in vivo metabolite identification within two HPLC/MS injections on the hybrid LTQ‐Orbitrap data collection system. By setting the FT survey full scan at 60K resolution to trigger five dependent LTQ MS2 scans, and proper parameters of Repeat Duration, Exclusion Duration and Repeat Count for the first run (exploratory), the Orbitrap achieved the optimal parallel data acquisition capability and collected maximum number of product ion scans. Biotransformation knowledge based prediction played the key role in exact mass ion extraction and multiple mass defect filtration when the initial data was processed. Meanwhile, product ion extraction and neutral loss extraction of the initial dependent data provided additional bonus in identifying metabolites. With updated parent mass list and the data‐dependent setting to let only the ions on the parent mass list trigger dependent scans, the second run (confirmatory) ensures that all precursor ions of identified metabolites trigger not only dependent product ion scans, but also at or close to the highest concentration of the eluted metabolite peaks. This workflow has been developed for metabolite identification of in vivo or ADME studies, of which the samples typically contain a high level of complex matrix. However, due to the proprietary nature of the in vivo studies, this workflow is presented herein with in vitro buspirone sample incubated with human liver microsomes (HLM). The major HLM‐mediated biotransformation on buspirone was identified as oxidation or hydroxylation since five mono‐ (+16 Da), seven di‐ (+32 Da) and at least three tri‐oxygenated (+48 Da) metabolites were identified. Besides the metabolites 1‐pyrimidinylpiperazine (1‐PP) and hydroxylated 1‐PP that formed by N‐dealkylation, a new metabolite M308 was identified as the result of a second N‐dealkylation of the pyrimidine unit. Two new metabolites containing the 8‐butyl‐8‐azaspiro[4,5]decane‐7,9‐dione partial structure, M240 and M254, were also identified that were formed apparently due to the first N‐dealkylation of the 1‐PP moiety. Copyright © 2009 John Wiley & Sons, Ltd. 相似文献
944.
In this paper, a new type of bivariate basis on a triangle is presented, which is constructed by extending the univariate NTP basis proposed by Delgado and Peña. Some algebraic properties and its recursive formulae are given. Then a new type of surfaces that is called triangular DP surface is defined, and its recursive evaluation algorithm is obtained. Also, in the case of low degree, its subdivision algorithm and degree elevation algorithm are derived. It is shown that this type of surfaces is obviously more advantageous than triangular Bézier surface, and hence extremely useful for geometric design, especially for the situation in which the surface needs to be evaluated quickly. 相似文献
945.
946.
LI GuangShun ZHOU XiaoHong ZHANG ShuangQuan ZHANG YuHu & MENG Jie Institute of Modern Physics Chinese Academy of Sciences Lanzhou China Graduate University of Chinese Academy of Sciences Beijing School of Physics SK Laboratory of Nuclear Physics & Technology Peking University Beijing 《中国科学:物理学 力学 天文学(英文版)》2011,(Z1)
Theoretical calculations have been performed for the ν9/2+[624](i13/2) and ν7/2-[503](f7/2) bands of 185Pt in the framework of particle-rotor model. The band properties of signature splitting and configuration mixing have been analyzed. The level energy and signature splitting before the band crossing can be well interpreted by introducing triaxiality. The positive-parity yrast band is pro posed to be dominated by the ν9/2+[624](i13/2) component, while the negative-parity band shows strong mixing of ν7/2-[5... 相似文献
947.
Fan Liao Hanxuan Wang Yuankun Dao Kai Yuan Jiazhen Lu Jie Shi Ying Han Suwei Dong Lin Lu 《中国化学快报》2021,32(4):1575-1579
We describe an application of carrier protein-free strategy in constructing a fully synthetic methamphetamine (METH) vaccine that contains three components: Toll-like receptor 2 ligand, Th2 epitope, and METH hapten. The immunological evaluation in mice revealed high titers of METH-specific antibodies induced by the construct and the activation of humoral immunity that would be beneficial for neutralization and clearance of the METH molecule. Behavioral experiments indicated that the synthetic vaccine attenuated the acquisition of METH-induced conditioned place preference and inhibited the initiation and expression of METH-induced locomotor sensitization. These results demonstrate that the lipopeptide-based vaccine has invoked an immune response and showed the potential of preventing the rewarding and psychoactive effects of METH. 相似文献
948.
Acid‐treated g‐C3N4‐Cu2O composite catalyst with enhanced photocatalytic activity under visible‐light irradiation 下载免费PDF全文
Shiyu Zuo Haiming Xu Wei Liao Lei Sun Donghui Han Jie Zan Binyang Zhang Dongya Li Dongsheng Xia 《应用有机金属化学》2018,32(9)
Acid‐treated g‐C3N4‐Cu2O was prepared by hydrothermal reduction followed by high temperature calcination and acid exfoliation. The structures and properties of as‐synthesized samples were characterized using a range of techniques, such as X‐ray photoelectron spectroscopy, scanning electron microscopy, Photoluminescence Spectroscopy and the Brunauer–Emmett–Teller (BET) theory. The photocatalytic activity was evaluated by measuring the photodegradation of methyl orange under visible‐light irradiation. Based on the results of TEM, XPS, EPR and other techniques, it was verified that a heterojunction was formed. The acid treatment process can increase the specific surface area to form abundant heterojunction interfaces as channels for photo‐generated carrier separation, thereby enhancing its light utilization and quantum efficiency. Results indicate that acid‐treated g‐C3N4‐Cu2O possesses a large specific surface area, which provides plentiful activated sites for heterojunctions to form; in addition, it showed a high visible light effect and the minimum charge‐transfer resistance. Furthermore, the g‐C3N4‐Cu2O material exhibits high levels of effectiveness and stability. Electron paramagnetic resonance and a series of radical trapping experiments demonstrate that the holes and ?O2? could be the main active species in methyl orange photodegradation. This work could provide new insights into the fabrication of composite materials as high‐performance photocatalysts, and facilitate their application in addressing environmental protection issues. 相似文献
949.
950.
In this paper we have completely determined: (1) all almost simple groups which act 2-transitively on one of their sets of
Sylow p-subgroups. (2) all non-abelian simple groups T whose automorphism group acts 2-transitively on one of the sets of Sylow p-subgroups of T. (3) all finite groups which are 2-transitive on all their sets of Sylow subgroups.
The first author acknowledges the support of OPR Scholarship of Australia
The second author is supported by the National Natural Science Foundation of China. Thanks are also due to the Department
of Mathematics, the University of Western Australia, where he did his part of this work for its hospitality 相似文献