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61.
Insights into the Complexity of Weak Intermolecular Interactions Interfering in Host–Guest Systems 下载免费PDF全文
Dawei Zhang Dr. Bastien Chatelet Eloisa Serrano Dr. Olivier Perraud Dr. Jean‐Pierre Dutasta Prof. Dr. Vincent Robert Prof. Dr. Alexandre Martinez 《Chemphyschem》2015,16(14):2931-2935
The recognition properties of heteroditopic hemicryptophane hosts towards anions, cations, and neutral pairs, combining both cation–π and anion–π interaction sites, were investigated to probe the complexity of interfering weak intermolecular interactions. It is suggested from NMR experiments, and supported by CASSCF/CASPT2 calculations, that the binding constants of anions can be modulated by a factor of up to 100 by varying the fluorination sites on the electron‐poor aromatic rings. Interestingly, this subtle chemical modification can also reverse the sign of cooperativity in ion‐pair recognition. Wavefunction calculations highlight how short‐ and long‐range interactions interfere in this recognition process, suggesting that a disruption of anion–π interactions can occur in the presence of a co‐bound cation. Such molecules can be viewed as prototypes for examining complex processes controlled by the competition of weak interactions. 相似文献
62.
Expected Residual Minimization Formulation for a Class of Stochastic Vector Variational Inequalities
Yong Zhao Jin Zhang Xinmin Yang Gui-Hua Lin 《Journal of Optimization Theory and Applications》2017,175(2):545-566
This paper considers a class of vector variational inequalities. First, we present an equivalent formulation, which is a scalar variational inequality, for the deterministic vector variational inequality. Then we concentrate on the stochastic circumstance. By noting that the stochastic vector variational inequality may not have a solution feasible for all realizations of the random variable in general, for tractability, we employ the expected residual minimization approach, which aims at minimizing the expected residual of the so-called regularized gap function. We investigate the properties of the expected residual minimization problem, and furthermore, we propose a sample average approximation method for solving the expected residual minimization problem. Comprehensive convergence analysis for the approximation approach is established as well. 相似文献
63.
In this article, we propose the Gauss-Newton methods via conjugate gradient path for solving nonlinear systems. By constructing and solving a linearized model of the nonlinear systems, we obtain the iterative direction by employing the conjugate gradient path. In successive iterations, the approximate Jacobian of the nonlinear systems is updated by a Broyden formula to construct the conjugate path. The global convergence and local superlinear convergence rate of the proposed algorithms are established under some reasonable conditions. Finally, the numerical results are reported to show the effectiveness of the proposed algorithms. 相似文献
64.
Existing literature regarding the natural hedge potential that arises from combining different longevity-linked liabilities typically does not address the question how changes in the liability mix can be obtained. We consider firms who aim to exploit the benefits of natural hedge potential by redistributing their risks, and characterize the risk redistributions that will arise when the parties bargain for a redistribution of risk that weakly benefits them all. We analyze the effects of heterogeneity in the beliefs regarding the probability distribution of future mortality rates on the properties of these risk redistributions, and provide a numerical illustration for a case where an insurer with a portfolio of term assurance contracts and a pension fund with a portfolio of life annuities redistribute their risks. 相似文献
65.
66.
Jingwei Wang Qianqian Luo Chunhua Luo Hechun Lin Ruijuan Qi Ni Zhong Hui Peng 《Journal of Solid State Electrochemistry》2017,21(7):2071-2077
In this study, MoS2 nanosheets were first prepared by exfoliating its bulk material in HCl/LiNO3 solution with a yield of 45%, and then a facile strategy was developed to synthesize polyaniline/MoS2 (PANI/MoS2) nanocomposite via in situ polymerization. Structural and morphological characterizations of MoS2 nanosheets and the nanocomposite were investigated by scanning electron microscope (SEM), transmission electron microscope (TEM), and X-ray powder diffraction. The results of SEM illustrated that orderly sawtooth polyaniline (PANI) nanoarrays were formed on the surface of MoS2 nanosheets. The nanocomposite displayed good electrochemical performance as a supercapacitor electrode material. The specific capacitance reached 560 F/g at a current density of 1.0 A g?1 in 1.0 M H2SO4 solution. Such good performance is because that the MoS2 nanosheets provided a highly electrolytic accessible surface area for redox-active PANI and a direct path for electrons. 相似文献
67.
Changping Wang Prof. Qiang Zhang Xinyu Wang Hong Chang Prof. Sanjun Zhang Yuankai Tang Prof. Jianhua Xu Ruijuan Qi Prof. Yiyun Cheng 《Angewandte Chemie (International ed. in English)》2017,56(24):6767-6772
Engineering near-infrared (NIR) light-sensitive enzymes remains a huge challenge. A photothermal effect-associated method is developed for tailoring the enzymatic activity of enzymes by exposure to NIR light. An ultrasmall platinum nanoparticle was anchored in an enzyme to generate local heating upon NIR irradiation, which enhanced the enzyme activity without increasing bulk temperature. Following NIR irradiation, the enzyme activity was tailored rapidly and reversibly, and was modulated by varying laser power density and irradiation time. Four enzymes were engineered, including glucoamylase, glucose oxidase, catalase, and proteinase K with NIR-light sensitivity, and demonstrated their utility in practical applications such as photolithography and NIR light-responsive antibacterial or anticancer actions. Our investigation suggests that this approach could be broadly used to engineer enzymes with NIR-light sensitivity for many biological applications. 相似文献
68.
研究了经典N=2李共形超代数的导子和第二上同调群的结构,并应用第二上同调群的结果确定了该李共形超代数的泛中心扩张. 相似文献
69.
介绍了Rieffel定义的紧致量子度量空间与量子Gromov-Hausdorff距离和近来Latrémolière定义的量子Gromov-Hausdorff邻距,分别讨论了矩阵代数如何在这两种量子距离下收敛至球面. 相似文献
70.
一类特殊的Koszul Calabi-Yau DG代数 总被引:1,自引:0,他引:1
假设一个连通上链DG代数A的基分次代数A~#或者同调分次代数H(A)是由一次元素x,y生成的代数kx,y/(xy+yx).本文证明A是Koszul Calabi-Yau DG代数. 相似文献