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91.
Recently molecular dynamics simulations were performed for polyethylene in the inclusion complex with perhydrotriphenylene. The system contained ninety molecules of perhydrotriphenylene, arranged in six stacks of fifteen molecules each, and one molecule of n-tetracontane, C40H82. The internal CH2-CH2 bonds in n-tetracontane have a very strong preference for the trans state. Nevertheless, the chain exhibits a high degree of internal flexibility. This motion produces a characteristic pattern in δ|ψ N + i ψi| vs. N, where ψi describes the instantaneous angle of a C-H bond vector at carbon atom i about the axis defined by the channel, and δ denotes the fluctuation. The pattern expected for δ|ψ N + i ψi| vs. N is derived for the case where the rapid internal motion is produced by a twiston. It is compared with the results from the simulation and from the expectation for the case where the rapid motion arises from uncorrelated internal fluctuations within the trans state at each CH2-CH2 bond. 相似文献
92.
Shujing Xu Dang Ding Xujie Zhang Lin Sun Dongwei Kang Boshi Huang Xinyong Liu Peng Zhan 《Molecules (Basel, Switzerland)》2022,27(3)
Viral infections pose a persistent threat to human health. The relentless epidemic of severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) has become a global health problem, with millions of infections and fatalities so far. Traditional approaches such as random screening and optimization of lead compounds by organic synthesis have become extremely resource- and time-consuming. Various modern innovative methods or integrated paradigms are now being applied to drug discovery for significant resistance in order to simplify the drug process. This review provides an overview of newly emerging antiviral strategies, including proteolysis targeting chimera (PROTAC), ribonuclease targeting chimera (RIBOTAC), targeted covalent inhibitors, topology-matching design and antiviral drug delivery system. This article is dedicated to Prof. Dr. Erik De Clercq, an internationally renowned expert in the antiviral drug research field, on the occasion of his 80th anniversary. 相似文献
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Letters in Mathematical Physics - We characterize quantum perfect state transfer on real-weighted graphs of the Johnson scheme $${\mathcal {J}}(n,k)$$ , which represent spin networks with... 相似文献
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Upper Bound of the Number of Zeros for Abelian Integrals in a Kind of Quadratic Reversible Centers of Genus One 下载免费PDF全文
Qiuli Yu Houmei He Yuangen Zhan Xiaochun Hong 《Journal of Nonlinear Modeling and Analysis》2024,6(1):218-227
By using the methods of Picard-Fuchs equation and Riccati equation, we study the upper bound of the number of zeros for Abelian integrals in a kind of quadratic reversible centers of genus one under polynomial perturbations of degree $n$. We obtain that the upper bound is $7[(n-3)/2]+5$ when $n\ge 5$, $8$ when $n=4$, $5$ when $n=3$, $4$ when $n=2$, and $0$ when $n=1$ or $n=0$, which linearly depends on $n$. 相似文献
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The development of display technology has continuously increased the requirements for image resolution. However, the imaging systems of many cameras are limited by their physical conditions, and the image resolution is often restrictive. Recently, several models based on deep convolutional neural network (CNN) have gained significant performance for image super-resolution (SR), while extensive memory consumption and computation overhead hinder practical applications. For this purpose, we present a lightweight network that automatically searches dense connection (ASDCN) for image super-resolution (SR), which effectively reduces redundancy in dense connection and focuses on more valuable features. We employ neural architecture search (NAS) to model the searching of dense connections. Qualitative and quantitative experiments on five public datasets show that our derived model achieves superior performance over the state-of-the-art models. 相似文献
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偶氮染料结构、光稳定性和光化学降解机理研究 总被引:16,自引:0,他引:16
本文介绍了偶氮染料分子构型、聚集态及其晶体结构的量子化学与实验研究情况, 综述了偶氮染料光稳定性的结构效应和光化学降解机理及其激光闪光光解与时间分辨共振Ram an 光谱近代实验技术的研究进展。 相似文献
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将锌汞齐能还原二硫代二乙酸(DTDGA)成巯基乙酸(TGA)的原理和碘量法滴定相结合,对电还原DTDGA合成TGA反应液中的DTDGA进行定量分析,测定结果的相对标准偏差为0.37%,加标平均回收率100.6%。 相似文献