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991.
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
992.
Ning Gu Miaochang Liu Hepan Wang Song Sun Zhen Zhou Weiming Hu Jin-Tao Yu Jiang Cheng 《Tetrahedron letters》2017,58(34):3398-3400
An iridium-catalyzed annulation between 1,2-diarylethanone and 3-aminopropanol was developed, leading to site specific 2,3-diarylpyridines in moderate yields. 3-Aminopropanol served as both a four-atom component and solvent during this procedure, releasing water as a clean by-product. The reaction may proceed with sequential imine formation, alcohol oxidation and intramolecular cyclization by Knoevenagel reaction. 相似文献
993.
D. Kamińska A. Gajos E. Czerwiński D. Alfs T. Bednarski P. Białas C. Curceanu K. Dulski B. Głowacz N. Gupta-Sharma M. Gorgol B. C. Hiesmayr B. Jasińska G. Korcyl P. Kowalski W. Krzemień N. Krawczyk E. Kubicz M. Mohammed Sz. Niedźwiecki M. Pawlik-Niedźwiecka L. Raczyński Z. Rudy M. Silarski A. Wieczorek W. Wiślicki B. Zgardzińska M. Zieliński P. Moskal 《The European Physical Journal C - Particles and Fields》2016,76(8):445
994.
995.
Gong Gu Luxmi P.J. Fisher N. Srivastava R.M. Feenstra 《Solid State Communications》2009,149(47-48):2194-2198
We fabricated high-mobility field-effect transistors based on epitaxial graphene synthesized by vacuum graphitization of both the Si- and C-faces of SiC. Room-temperature field-effect mobilities >4000 cm2/V s for both electrons and holes were achieved, although with wide distributions. By using a high-k gate dielectric, we were able to measure the transistor characteristics in a wide carrier density range, where the mobility is seen to decrease as the carrier density increases. We formulate a simple semiclassical model of electrical transport in graphene, and explain the sublinear dependence of conductivity on carrier density from the view point of the few-layer graphene energy band structure. Our analysis reveals important differences between the few-layer graphene energy dispersions on the SiC Si- and C-faces, providing the first evidence based on electrical device characteristics for the theoretically proposed energy dispersion difference between graphene synthesized on these two faces of SiC. 相似文献
996.
R. Kruszka M. Ekielski K. Gołaszewska K. Korwin-Mikke Z. Sidor M. Wzorek D. Pierścińska R. Sarzała T. Czyszanowski A. Piotrowska 《Opto-Electronics Review》2011,19(1):51-55
The results of modelling of the influence of photonic crystal on the performance of VCSEL-type semiconductor laser structure
are shown and indicate that the use of those structures would significantly improve the working parameters of the devices.
The method of fabrication of photonic crystals in the Bragg mirrors of GaAs/AlGaAs-based VCSELs is presented. 相似文献
997.
Michał Rachwalski Stanisław Leśniak Piotr Kiełbasiński 《Tetrahedron: Asymmetry》2010,21(21-22):2687-2689
Diastereomerically pure tridentate heteroorganic ligands containing hydroxyl, sulfinyl and aziridine moieties as nucleophilic centers, capable of binding to various organometallic reagents, have been proven to be highly efficient catalysts in the enantioselective addition of phenylethynylzinc to aldehydes to give the desired products in very high yields (up to 95%) and with ee’s up to 90%. The influence of the stereogenic centers located on the sulfinyl sulfur atom and in the aziridine moiety on the stereochemical course of the reaction is also discussed. 相似文献
998.
999.
1000.
M. A. Śmiałek N. C. Jones R. Balog N. J. Mason D. Field 《The European Physical Journal D - Atomic, Molecular, Optical and Plasma Physics》2011,62(2):197-203
Experiments were carried out to determine the dependence of the physical form of supercoiled DNA films on the initial temperature
of the substrate. Such films are often used in irradiation experiments involving low energy particles, like electrons or photons.
In order to obtain absolute values for cross sections for such experiments, the spatial distribution of the sample in the
film has to be well estimated. These investigations aim to correlate the size and form of a DNA film with the initial temperature
of the substrate, on which the liquid sample is deposited prior to evacuation. From our previous studies we concluded that
the presence of agents preventing DNA structural water evaporation is required in order to preserve the supercoiled plasmid
DNA form under vacuum conditions. Therefore, we examined the temperature dependence on films prepared from plasmid suspended
in solutions containing magnesium hydroxide, Tris-Cl buffer and various concentrations of sodium hydroxide.
To visualise the films we used a conventional light microscope with a CCD camera and a scanning electron microscope. The results
revealed a significant influence of the temperature of the substrate on both the area of the substrate covered by the film
as well as on the spatial distribution of DNA molecules. An increase in the amount of sodium hydroxide that stabilises supercoiled
DNA under vacuum increases DNA aggregation. After these investigations we conclude that the best temperature of the substrate
to produce uniform and thin films should be between –5 °C and -10 °C for substrates which are not atomically flat and above
0 °C for atomically flat substrates. 相似文献