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101.
This paper presents Hurst exponent footprints from pseudo-dynamic measurements of significantly varied activities on a damaged bridge structure during rehabilitation through continuous monitoring. The system is interesting due to associated uncertainty in large-scale structures and significant presence of human intervention arising from fundamentally different processes. Investigations into the variation of computed Hurst exponents on time series of limited lengths are carried out in this regard. The Hurst exponents are compared with respect to specific events during the rehabilitation, as well as with the data collection locations. The variations of local Hurst exponents about the values computed for each activity are presented. The scaling of Hurst exponents for different activities is also investigated; these are representative of the extent of multifractality for each event. The extent of multifractality is assessed along with its source and time dependency. 相似文献
102.
Synthesis of RGO/Cu8S5/PPy Composite Nanosheets with Enhanced Peroxidase‐Like Activity for Sensitive Colorimetric Detection of H2O2 and Phenol 下载免费PDF全文
Yanzhou Jiang Yan Gu Guangdi Nie Maoqiang Chi Zezhou Yang Ce Wang Yen Wei Xiaofeng Lu 《Particle & Particle Systems Characterization》2017,34(3)
In this paper, a novel strategy for the fabrication of reduced graphene oxide (rGO)/Cu8S5/polypyrrole (PPy) composite nanosheets with Cu8S5 nanoparticles and PPy layer anchored on the surface of rGO as peroxidase‐like nanocatalyst is reported. During the synthesis, graphene oxide (GO)/CuO composite nanosheets are prepared first and used as templates, then the sulfuration of CuO and polymerization of pyrrole are accompanied with the reduction of GO, resulting in ternary rGO/Cu8S5/PPy composite nanosheets. The synthesized Cu8S5 nanoparticles with a diameter in the range from tens to hundreds of nanometers are dispersed within PPy decorated rGO nanosheets. The resultant ternary rGO/Cu8S5/PPy composite nanosheets exhibit a higher peroxidase‐like catalytic activity toward the oxidation of 3,3′,5,5′‐tetramethylbenzidine in the presence of H2O2 than GO/CuO and rGO/CuS composite nanosheets, revealing a synergistic effect on their activity. The as‐prepared rGO/Cu8S5/PPy platform provides a simple colorimetric approach for the detection of H2O2 and phenol with a high sensitivity. This work offers a new way for the fabrication of rGO‐based nanocomposite with superior enzyme‐like activity, which displays great potential applications in biocatalysis and environmental monitoring. 相似文献
103.
Experiments by F. Zhou and coworkers (2010) [16] showed that mitochondria are the main target of the cellular accumulation of single-walled carbon nanotubes (SWCNTs). Our in silico experiments, based on geometrical optimization of the system consisting of SWCNT+proton within Density Functional Theory, revealed that protons can bind to the outer side of SWCNT so generating a positive charge. Calculation results allow one to propose the following mechanism of SWCNTs mitochondrial targeting. SWCNTs enter the space between inner and outer membranes of mitochondria, where the excess of protons has been formed by diffusion. In this compartment SWCNTs are loaded with protons and acquire positive charges distributed over their surface. Protonation of hydrophobic SWCNTs can also be carried out within the mitochondrial membrane through interaction with the protonated ubiquinone. Such “charge loaded” particles can be transferred as “Sculachev ions” through the inner membrane of the mitochondria due to the potential difference generated by the inner membrane. Physiological consequences of the described mechanism are discussed. 相似文献
104.
Juanzi Shi HongXia Shen Lisheng Zhang Peijie Wang Yan Fang Guozhen Wu 《Journal of Raman spectroscopy : JRS》2015,46(12):1303-1309
An algorithm is employed to retrieve the differential bond polarizabilities (DBP) of the C‐C bonds from the Raman optical activity spectrum of (‐)β‐pinene. (‐)β‐pinene possesses two stereo centers (chiral centers) and a local mirror reflection that interchanges the S type part and R type part in one molecular. It is demonstrated that this local mirror reflection could induce an approximate (or symmetry breaking) mirror reflection that reverses the signs of the DBP of the pair bond coordinates that are related to each other by the mirror reflection.This can be called intramolecular enantiomerism (IE). More cases of IE are discussed by the analysis of (‐)α‐pinene, (R)‐(+)‐4‐isopropyl‐1‐methylcyclohexene and (R)‐(+)‐3‐methylcyclohexanone together with previously studied limonene case. Copyright © 2015 John Wiley & Sons, Ltd. 相似文献
105.
106.
本文利用聚集型状态方程,克拉贝龙方程以及临界条件推出聚集活性参量方程.分析结果表明,医药的药理活性是可以用聚集活性参量予以定量表征.本文给出了某些医药的主要的药物成分,如氧化亚氮 乙醚、氯仿和水杨酸甲酯等嘛醉剂),一氧化氮(硝酸甘油)、乙醇胺(医药活性剂)和多巴胺(神经递质)的生物活性数据.实践经验表明,这些化学品分别在生命体的心血管系统、神经系统和免疫系统中起着重要的药理功能作用.这表明,本文研究的内容在医药学研究领域有其重要意义. 相似文献
107.
H. E. Schmidt B. Teichmann R. Vogt H. Herzmann 《Isotopes in environmental and health studies》2013,49(11-12):401-404
Unter dem Aspekt, Anti-Tumor-Antikörper mit 13lJod zu markieren und dabei deren immunologische Reaktivität (Präzipilationsfähigkeit in vitro) soweit wie möglich zu erhalten, werden Modellexperimente zur Markierung von Kaninchen-Gammaglobulin und Anti-Pferdeserumalbumin-Antikörpern beschrieben. Bis zu einem Substitutionsgrad von 1,2 Jodatomen pro Antikörpermoleküt ist ein Verlust an Präzipitationsvermögen der Antikörperpräparationen offenbar auf die Wirkung von im Überschuβ angewandtem Natriumdisulfit (Oxydations-Stop-Reagens für die Wirkung von Chloramin T) zurückzuführen. 相似文献
108.
采用基于密度泛函理论(DFT)中的广义梯度近似 (GGA),在考虑自旋多重度的情况下,对NiMgn(n=1—12)团簇进行了构型优化,频率分析和电子性质计算.结果表明:n=1,2时,体系的基态为自旋三重态,n≥3时,为单重态;Ni原子掺杂使主团簇结构发生了明显变化. n≤8时,三角双锥,四角双锥结构主导着NiMgn基态团簇的生长行为; n在9—12之间时,主团簇Mgn+1(n=1—12)的基于三棱柱构型的基态演化行为发生了一定程度的改变;n≥6时,Ni原子陷入了主团簇内部;掺杂使体系的平均结合能增大,能隙减小;n=4,6,10是团簇的幻数;不同尺寸团簇的s, p, d轨道杂化中,Ni原子3d, 4p成分所起作用不同; NiMg6基态结构具有很高的对称性(Oh),很好的稳定性和化学活性,能隙仅为0.25eV.
关键词:
n团簇')" href="#">NiMgn团簇
几何结构
稳定性
化学活性 相似文献
109.
110.
Ivo Nezbeda 《Molecular physics》2013,111(1):59-76
It has traditionally been believed that, unlike normal fluids whose structural properties are determined primarily by the intermolecular short-range repulsive interactions, the properties of polar and associating fluids are strongly affected by the long-range Coulombic interactions. In the course of investigations to determine the primary driving forces governing the behaviour of various (non-simple) fluids, and hence to gain a deeper understanding of the molecular mechanisms leading to the development of theoretically based simple models and theory, extensive and systematic computer simulations have been performed on typical quadrupolar (carbon dioxide), dipolar (acetone and acetonitrile), and associating (hydrogen fluoride, methanol, and water) fluids using the available realistic effective pair potentials and their variants involving forces of different ranges. In addition to the main structural characteristics (one- and two-dimensional site–site correlation functions, local g factors, and radial slices through the full pair correlation function), the dielectric constants and the thermodynamic properties (internal energy and pressure) of both the homogeneous liquid and supercritical fluid phases, and vapor–liquid equilibria have also been considered. Furthermore, in the case of water, the diffusion coefficient and viscosity have also been considered along with water at the interface. All the obtained results lead to the unambiguous conclusion that the structure, defined in terms of the complete set of site–site correlation functions, for both polar and associating pure fluids is governed by the same molecular mechanism as for normal fluids, i.e. by the short-range interactions (which, however, may be both repulsive and attractive), whereas the long-range part of the electrostatic forces, regardless of their strength, plays only a marginal role and may be treated as a perturbation only. The consequences of these findings for theory and applications are also discussed. 相似文献