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81.
To probe the effect of the protein environment on the retinal chromophore of rhodopsin, we performed molecular dynamics simulations using combined quantum mechanics/molecular mechanics (QM/MM). The starting geometry of the protein is based on the 2.6Å X-ray structure of bovine rhodopsin of Okada et al. [T. Okada, et al. Proc. Natl. Acad. Sci. USA 99 5982 (2002)]. The wild-type chromophore of rhodopsin according to our calculations shows a highly twisted conformation around the central region, from C10 to C13, due to non-bonded interaction with the protein pocket. The absolute sense of twist of the C11–C12 and C12–C13 bonds is negative (?19 ± 9°) and positive (170 ± 8°), respectively. The 13-demethyl retinal chromophore, in which the methyl group at the C13 position is removed, is less distorted in this region. The C11–C12 bond is less twisted (?15 ± 10°) and the C12–C13 bond is planar (179 ± 9°) . The flattened geometry of this artificial chromophore is supported by spectroscopic evidence. 相似文献
82.
D. D. L. Chung 《Journal of Thermal Analysis and Calorimetry》2001,65(1):153-165
Thermal analysis in the form of electrical resistivity measurement is reviewed. It is useful for studying phase transitions and electrical conduction mechanisms. The resistivity can be the volume resistivity or the contact resistivity, as illustrated for the case of continuous carbon fiber polymer-matrix composites.This revised version was published online in November 2005 with corrections to the Cover Date. 相似文献
83.
Obtaining uniformly dispersed SWNT within an aqueous mixture for subsequent use as a dried coating in electronic biosensors is a challenge. The objective of this study is to relate SWNT dispersion conditions to resultant dried film properties. Aqueous solutions of SWNT dispersed with CMC (a dispersing agent with unique properties compatible with biomolecules) at different SWNT:CMC weight ratios and at different sonication conditions were studied. Solution particle size distribution data was obtained using dynamic light scattering. Differently formulated/processed SWNT/CMC solutions were used to form dry thin, conductive films. The resistance of each film was measured and its resistivity calculated. Response Surface Methodology (RSM) design of experiments (DOE) analysis was used as the tool to fit the data to establish a model and identify trends for the parameters studied. Profilometry was used to examine film surface uniformity. 3D optical microscopy was used to investigate film morphology and determine film thickness, and to relate these data back to solution dispersion conditions and dried film resistances. The lowest dried film resistivity (0.012 ohm-cm) was obtained at the highest levels of parameters studied in the DOE. Smaller solution particle size resulted in lower dried film surface roughness and better film uniformity. 相似文献
84.
Intikhab A. Ansari 《Physica C: Superconductivity and its Applications》2010,470(22):2078
Here, I present the reply to the comments from Mamedov regarding numerical solution of Bloch–Gruneisen function to determine the contribution of electron–phonon interaction in polycrystalline superconductor. Reply to the comments from Mamedov is discussed one by one. 相似文献
85.
测定金属电阻温度系数的方法研究 总被引:3,自引:0,他引:3
从金属电阻率与温度的线性关系出发,设计了测定金属电阻温度系数的实验方案。利用基本的电磁学仪器和热学仪器组合进行实验,以漆包铜线作为待测金属丝测定出铜的电阻温度系数,分析了导致系统误差产生的主要原因,并就待测金属丝的选取原则、温度控制的方法进行了讨论。 相似文献
86.
Tobias Fieback Frieder DreisbachMarcus Petermann Roland SpanEckard Weidner 《Fluid Phase Equilibria》2011,301(2):217-224
A novel measuring method is presented here that allows sorption and solvation measurements near to different process conditions. Especially for the sorption kinetics it is important that the measuring conditions are similar to later applications. Particularly for high pressure sorption measurements this claim could not be fulfilled for most technical applications.The advantage of the measuring methods presented here is that solid bed samples in high pressure gravimetry can be measured under flow-through conditions in both directions and, for the first time in high pressure gravimetry, liquid samples can be measured under flow-through conditions. Especially for ionic liquids, of which a large variety of new substances with unknown sorption potentials have been synthesised in the last few years, this results in much shorter measuring times.The first measurements presented here show that the new system allows for measuring times around 26 times shorter for an ionic liquid. 相似文献
87.
In the system of SDS/n-C5H11OH/n-C7H16/H2O with the weight ratio of SDS/n-C5H11OH/H2O system at5.0/47.5/47.5, the upper phase of the system was W/O microemulsion, and the lower phase was the bicontinuous microemulsion. When the n-heptane content was less than 1%, with the increase of the n-heptane content, the capacitance (Co, Cod) in the upper phase (W/O) dropped, the capacitance (CB1, CBld) in the lower phase (BI) raised. At the same time, the W/O-BI inteffacial potential (ΔE), capacitance (Ci), and charge-transfer current (ict) decreased.After the n-heptane content reached 1%, with the increase of the n-heptane content, ΔE, Ci and ict demonstrated no significant change. 相似文献
88.
单一稀土Ce, La和混合稀土在工业纯铝中的作用 总被引:11,自引:2,他引:11
通过对比实验的方法,研究了稀土Ce,La和混合稀土对工业纯铝组织、电性能和机械性能的影响。结果表明:单一稀土La,Ce可降低工业纯铝的电阻率,提高工业纯铝的导电性,其中La的效果优于Ce.而混合稀土对电阻率几乎无影响;La,Ce和混合稀土均能减小工业纯铝的晶粒度,在其加入量为0.1%后细化效果明显,当其含量大于0.5%后细化效果趋于平缓,其中Ce的效果最佳,La次之,混合稀土最弱;单一稀土La,Ce在一定含量时可提高工业纯铝的σb6和δ,Ce的作用强于La,混合稀土对σb和δ的影响不明显。 相似文献
89.
Martin Kirchner Walter Schnelle Frank R. Wagner Rüdiger Kniep Rainer Niewa 《无机化学与普通化学杂志》2005,631(8):1477-1486
Single phase powders of (A19N7)[In4]2 (A = Ca, Sr) and (Ca4N)[In2] were prepared by reaction of melt beads of the metallic components with nitrogen. The crystal structure of (Ca19N7)[In4]2 was refined based on neutron and X‐ray powder diffraction data. The crystal structure of (Sr19N7)[In4]2 was solved from the X‐ray powder pattern. The structure refinements in combination with results from chemical analyses ascertain the compositions. The compounds (A19N7)[In4]2 (A = Ca, Sr) are isotypes of (Ca19N7)[Ag4]2; (Ca19N7)[In4]2 is probably identical to the earlier reported (Ca18.5N7)[In4]2. The crystal structure of the isotypes (A19N7)[In4]2 (A = Ca, Sr; cubic, , Ca: a = 1471.65(3) pm; Sr: a = 1561.0(1) pm) contains isolated [In4] tetrahedra embedded in a framework of edge‐ and vertex‐sharing (A6N) octahedra. Six of these octahedra are condensed by edge‐sharing around one central A2+ ion to form “superoctahedra” (A19N6) which are connected three‐dimensionally via further octahedra by corner‐sharing. The crystal structure of (Ca4N)[In2] (tetragonal, I41/amd, a = 491.14(4) pm, c = 2907.7(3) pm) consists of alternating layers of perovskite type slabs of vertex‐sharing octahedra (Ca2Ca4/2N) and parallel arranged infinite zigzag chains equation/tex2gif-stack-1.gif[In2]. In the sense of Zintl‐type counting the compounds (A2+)19(N3?)7[(In2.125?)4]2 present an electron excess, (Ca2+)4(N3?)[(In2.5?)2] is electron deficient. Metallic properties are supported by electrical resistivity and magnetic susceptibility measurements. The analysis of the electronic structures gives evidence for the existence of homoatomic interactions In–In and significant heteroatomic metal–metal interactions Ca–In which favor the deviations of the title compounds from the (8 – N) rule. 相似文献
90.
《Physics and Chemistry of Liquids》2012,50(4):442-453
In the present article, we report the electrical transport properties viz. the electrical resistivity (ρ), the thermoelectric power and thermal conductivity (σ) of several monovalent, divalent and polyvalent liquid metals of the different groups of the periodic table on the basis of model potential formalism. The well-known empty core model potential of Ashcroft is used for the first time with seven local field correction functions proposed by Hartree, Hubbard–Sham, Vashishta–Singwi, Taylor, Ichimaru–Utsumi, Farid et al. and Sarkar et al. in the present computation and found suitable for such study. In the calculation of these properties we have used the values of the theoretical structure factors due to hard core fluid theory. It is concluded that the comparisons of present and theoretical or experimental findings wherever exists are highly encouraging. 相似文献