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991.
Peng Xue Ting He Huiqiong Wu Hongtao Xie Rujuan Shen Fan Yue 《Supramolecular chemistry》2017,29(8):627-632
A tripeptide (β-AspFF) gelator was designed and synthesised using solid-phase peptide synthesis. The as-prepared gelator formed a stable and clear multi-responsive gel in toluene solution. Encapsulating the quantum dots with β-AspFF effectively increased stability and antioxidisation ability which are beneficial for optical identification. 相似文献
992.
This paper presents a new parameter estimation method for Itô diffusions such that the resulting model predicts the equilibrium statistics as well as the sensitivities of the underlying system to external disturbances. Our formulation does not require the knowledge of the underlying system, however, we assume that the linear response statistics can be computed via the fluctuation–dissipation theory. The main idea is to fit the model to a finite set of “essential” statistics that is sufficient to approximate the linear response operators. In a series of test problems, we will show the consistency of the proposed method in the sense that if we apply it to estimate the parameters of the underlying model, then we must obtain the true parameters. 相似文献
993.
994.
995.
Three series of cholesteryl-containing supramolecular hydrogen-bonded (H-bonded) liquid crystal (LC) complexes with different number of fluoro-substituent were synthesised and characterised. Cholesteryl isonicotinate as proton acceptor and 4-n-alkoxybenzoic acids with or without fluoro-substituent as proton donor had been mixed in tetrahydrofuran to obtain H-bonded LC complexes. The effect of lateral substitution and the length of terminal chain in the H-bonded precursors on the formation of the supramolecular complexes had been examined. It was found that the introduction of fluoro substituent on the induced mesogens could widen the molecular width and thus reduce the molecular aspect ratio of the complexes, therefore it could lead to compress the formation of the LCs. However, the fluoro substituent played a positive role in enhancing the intermolecular interactions and stabilising the H-bond structure of the complexes. The influence of terminal length on the mesogenic behaviours is also discussed. On increasing the spacer length, the clear point and the thermal range of induced mesophase-like cholesteric phase decreased, and an induced chiral smectic phase began to appear in some complexes with long terminal tails. 相似文献
996.
997.
Bing Niu Yuhuan Jin Lin Lu Kaiyan Fen Lei Gu Zhisong He Wencong Lu Yixue Li Yudong Cai 《Molecular diversity》2009,13(3):313-320
The knowledge of whether one enzyme can interact with a small molecule is essential for understanding the molecular and cellular
functions of organisms. In this paper, we introduce a classifier to predict the small molecule– enzyme interaction, i.e.,
whether they can interact with each other. Small molecules are represented by their chemical functional groups, and enzymes
are represented by their biochemical and physicochemical properties, resulting in a total of 160 features. These features
are input into the AdaBoost classifier, which is known to have good generalization ability to predict interaction. As a result,
the overall prediction accuracy, tested by tenfold cross-validation and independent sets, is 81.76% and 83.35%, respectively,
suggesting that this strategy is effective. In this research, we typically choose interactions between small molecules and
enzymes involved in metabolism to ultimately improve further understanding of metabolic pathways. An online predictor developed
by this research is available at .
Electronic supplementary material The online version of this article (doi:) contains supplementary material, which is available to authorized users. 相似文献
998.
Previously the perihelion advance in binary system was computed approximately. We will present an exact analytical solution
to nonlinear differential equation of perihelion advance by method of Jacobian elliptic function and the advanced angle between
successive perihelions.
Project supported by the Scientific Research Foundation for the Returned Overseas Chinese Scholars from Ministry of Education,
China (Grant No. [2004]527) and the Natural Science Foundation of Hunan Province, China (Grant No. 06JJ2026) 相似文献
999.
1000.
Y.-F. Zhao T.-H. He 《The European Physical Journal B - Condensed Matter and Complex Systems》2010,77(3):363-366
The effect of magnetic relaxation on flux jump is studied
in high temperature superconducting slab. The magnetothermal diffusion
equations based on the Kim model are presented in this paper to estimate the
effect of magnetic relaxation on flux jump inside the slab in the flux
dynamics process. Numerical results obtained show that the flux-jump
phenomenon could be suppressed by the magnetic relaxation and the dependence
of the number of flux jumps on the relaxation time are obvious. 相似文献