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41.
The topological expression of the reduced quantum trajectory is given by using ø-mapping topological current theory. The topological expression is used in study of the coherence and the decoherence. We find the expression of vorticity for decoherence has a similar form as that for coherence. Atopological reason leading to the decoherence is given and a new parameter is defined to indicate the coherence degree. The parameter is different from the damping factor because it relates to the topological structure of the reduced quantum trajectory. 相似文献
42.
蛋白质分子与配体的作用模式主要有直接的环区结合及铰链式结合两种方式。针对这两种不同的作用方式,我们提出采用不同的策略进行结合过程的构象研究。对于直接的环区结合模式,通过建立环区主链构象库,来实现蛋白质环区与配体的准柔性对接,并以链霉抗生物素蛋白体系为例对构象库建立的可行性进行了验证计算。对铰链结合方式,采用分步对接的方法进行计算,并具体应用于HIV蛋白酶与其小分子配体的结合过程。计算结果表明,这两种处理方法分别能较好地模拟不同类型的蛋白质与配体结合的的构象变化。 相似文献
43.
Montmorillonite is a kind of clay mineral which often causes large
deformation in soft-rock tunnel engineering and thus brings about
safety problems in practice. To deal with these engineering safety
problems, the physical and chemical properties of montmorillonite
should be studied from basic viewpoints. We study the atomic and
electronic structures of montmorillonite by using density-functional
theory within the local-density approximation (LDA). The results of
calculation show that Al--O bond lengths are longer than Si--O bond
lengths. It is found that both the valence band maximum (VBM) and
the conduction band minimum (CBM) of montmorillonite are at point
Γ, and the calculated direct band gap of montmorillonite
is 5.35~eV. We show that the chemical bonding between cations and
oxygen anions in montmorillonite is mainly ionic, accompanied as
well by a minor covalent component. It is pointed out that the VBM
and CBM of montmorillonite consist of oxygen 2p and cation s states,
respectively. Our calculated results help to understand the chemical
and physical properties of montmorillonite, and are expected to be a
guide for solving the problem of large deformation of soft-rock
tunnels. 相似文献
44.
建立了小鼠脑组织中梓醇的反相高效液相色谱检测方法.色谱柱为Agilent Zorbax SB-AqC18亲水色谱柱,流动相为水-乙腈(99.5:0.5,V/V).流速为1.0mL/min,检测波长为210nm,柱温为30℃.梓醇含量在0.8-40.8μg/mL范围内线性关系良好,相关系数r为0.9999.平均回收率为70.0%-77.4%,RSD≤5.9%.按照5mg/kg给药剂量,C57小鼠腹腔注射梓醇,结果显示2h后,0.29%的给药量可以通过血脑屏障进入脑组织.所建立的RP-HPLC法简便,快速,准确,可靠,能较好的应用于小鼠脑组织中梓醇的测定. 相似文献
46.
47.
Jin-Ying Tang Yan-Ping Liu Peng-Kun Ju Xiu-Lan Luo Zhi-Jie Zhang Peng Ren 《Natural product research》2018,32(14):1727-1732
A new polyoxygenated cyclohexene derivative, artahainanol A (1), together with three known analogues (2–4), was isolated from the stems and leaves of Artabotrys hainanensis. Among them, 1 is an unusual polyoxygenated cyclohexene containing 14 carbon atoms on the carbon skeleton. All known compounds (2–4) were isolated from the genus Artabotrys for the first time. The structure of 1 was elucidated by extensive spectroscopic methods and the known compounds were identified by comparisons with data reported in the literature. All isolated compounds were evaluated for their cytotoxicities against five human cancer cell lines: HL-60, SMMC-7721, A-549, MCF-7 and SW480 in vitro. Compounds 1–4 showed significant inhibitory effects against various human cancer cell lines with IC50 values ranging from 2.68 to 18.32 μM. 相似文献
48.
49.
Ca、Ce双掺杂烧绿石型复合氧化物的合成及离子导电性能研究 总被引:7,自引:0,他引:7
Pyrochlore-type rare earth complex oxides of La2-αCaαZr2-βCeβO7-δ were synthesized by the sol-gel method. The structure of the samples was characterized by X-ray diffraction (XRD). The ionic conduction in solid electrolyte of the sintered samples was examined using electrochemical methods at 400~800 ℃. The result indicated that the samples were pyrochlore-type structure, conductivities of the Ca and Ce doped samples were largely increased. Ammonia was synthesized from nitrogen and hydrogen at atmospheric pressure in the solid state proton conducting cell reactor. The ammonia evolution rate of doped samples is larger than that of the undoped ones, which indicates that the samples are proton conductor and the ability of protonic conductivity is mainly decided by hole concentration. 相似文献
50.
Prof. Dr. Fei Zhao Zhihao Zhu Linshan Xie Dr. Feng Luo Dr. Huixia Wang Yanli Qiu Weiling Luo Dr. Fang Zhou Dr. Dongxiang Xue Zhihui Zhang Prof. Dr. Tian Hua Dr. Dong Wu Prof. Dr. Zhi-Jie Liu Prof. Dr. Zhiping Le Prof. Dr. Houchao Tao 《Chemistry (Weinheim an der Bergstrasse, Germany)》2022,28(44):e202201388
Detergents are the most frequently applied reagents in membrane protein (MP) studies. The limited diversity of one-head-one-tailed traditional detergents, however, is far from sufficient for structurally distinct MPs. Expansion of detergent repertoire has a continuous momentum. In line with the speculation that detergent pre-assembly exerts superiority, herein we report for the first time cross-conjugation of two series of monomeric detergents for constructing a two-dimensional library of dimeric detergents. Optimum detergents stood out with unique preferences in the systematic evaluation of individual MPs. Furthermore, unprecedented hybrid detergents 14M8G and 14M9G enabled high-quality EM study of transporter MsbA and NMR study of G protein-coupled receptor A2AAR, respectively. Given the abundance of cross-coupling chemistries, comprehensive diversity could be readily covered that would facilitate the finding of new detergents for the manipulation of thorny MPs and innovation of the functional and structural study in future. 相似文献