qsars based on 3d properties of molecules

... specifically on a bare substrate and the ODT layer is used as a non-binding area One attendant problem might be immobilization of biomolecules on the CNT-FET For immobilization of biomolecules on the ... be a problem for immobilization of the biomolecules because of their lack of chemical reactivity and for non-specific adsorption of biomolecules Direct modification of the CNT surface sometimes ... than mm As for controlling the solution pH, 10 micro L of the solution was suctioned using a pipette; then 10 micro L of the other pH solution was added The pH of the suctioned solution was measured...

Ngày tải lên: 22/06/2014, 18:20

... quality of side reconstruction (reconstruction from only one description) Alternatively, a smaller quantization step results in higher-quality side reconstruction The quality of the two-channel reconstruction ... obtain the reconstruction of the original sequence We term the reconstruction from one description, for example, Description 1, as side reconstruction (reconstruction from Description is symmetrical) ... description coder based on 3D transforms, denoted by 3D2 sMDC This coder does not exploit motion compensation as initially proposed in [18] Using 3D transform instead of motion compensated prediction...

Ngày tải lên: 22/06/2014, 22:20

... production of a substantial geometric model of the equine ovary was attempted in this study to understand the spatial localization of the internal structure of the ovary The preparation of samples ... Morphology of the Mammalian Ovary pp 24-25, University of Wisconsin Press, Madison, 1973 Otsu N An automatic threshold selection method based on discriminant and leaset square criteria J Inst Electron ... Yokota H Three-dimensional reconstruction of the equine ovary Anat Histol Embryol 2005, 34, 48-51 Kimura J, Tsukise A, Yokota H, Nambo Y, Higuchi T The application of three-dimensional internal structure...

Ngày tải lên: 07/08/2014, 23:22

... nanoribbons ZTG zero transmission gap Chapter Introduction 1.1 The bottleneck of silicon -based electronics Modern electronics relies on the capabilities of semiconductor components to control electron ... carbon chain has (a) sp connection with carbon chain leads; (b) sp2 connection with carbon ribbon leads (optimized); (c) sp3 connection with capped carbon nanotube leads; (d) sp3 connection with ... realization of spintronics applications Carbon -based materials, including diamond, carbon nanotube (CNT), graphene, fullerenes and a number of other derivations, show strong potential for spintronics...

Ngày tải lên: 09/09/2015, 18:48

... variation can be achieved through careful control of the growth conditions, including the use of local heaters to reduce uncontrolled decomposition of silane [10] The diameter Chapter Introduction of ... of control over the emission wavelength Their study has encouraged the realization of a range of SiNW -based photonic devices using CMOS-compatible fabrication methods In addition to the photonic ... aspects One is the effect of heat bath on calculated thermal properties in non-equilibrium MD simulations, and the other is to improve the accuracy of thermal conductivity prediction based on Green-Kubo...

Ngày tải lên: 10/09/2015, 08:38

... Levels of Context The interpretation of social context includes two levels of communication: genre (context of culture) and register (context of situation) (Martin 1992: 495) An investigation into ... description of emotion in English poetry In the next session we will clear the concept of emotion ,metaphor emotion, and emotion in poetry III EMOTION AND POETRY Introduction No aspect of our mental ... ideational systems of THING TYPE, CLASSIFICATION, EPITHESIS and QUALIFICATION, interpersonal systems of PERSON and ATTITUDE, and textual systems of DETERMINATION But the way the metafunctional contributions...

Ngày tải lên: 07/11/2012, 14:44

... -3 ] One example that shows the Water effectiveness of such lake model for the D:non-predatory Death P:Predation E&D Pikeperch E:Excretion R:Resuspens ion prediction of the long-term effect of ... observations especially focused on the impact of zooplankton on algal succession, and dominant material flow in water body estimated from the results Furthermore, an application of our eutrophication ... in depth; Ponds #1 ~ #4) 2.00 m located in Shida County, Shizuoka, 4.00 m Japan A vertical sectional view of Fig Vertical sectional view of the pond used in this study one of the ponds is found...

Ngày tải lên: 05/09/2013, 08:40

... The duration ton of the current pulse was 0.5 – 0.8 s then the current was turned off for a fixed duration toff of 0.5 s During ton, FePt nanoparticles were deposited on the surface of the electrode ... early as 1934 that the application of ultrasonic energy could increase the rate of electrolytic water cleavage The effects of ultrasonic radiation on chemical reactions are due to the very high ... strong change when the deposition time was longer than 0.6 s as shown in sample S6 and S7 which presented strong ratio of a soft magnetic phase In our experiment, we only used 0.08 mM (corresponding...

Ngày tải lên: 13/02/2014, 03:20

... deacylation reaction at pH 8.0 A proton of NeH of –Ne+H@C–(NH2)2 of the Arg moiety with the cyclic configuration of Arg-tRNA is transferred to C@O of the ester bond of Arg-tRNA The adenosine moiety of ... formation of Arg-tRNAMetCCG on E coli ArgRS [29] On the other hand, in tRNAMetCAU bound on A aeolicus Met-tRNA synthetase, the conformation of the anticodon loop of C32–U33–C34–A35–U36–A37– A38 of ... a large conformational change of the anticodon loop, the D-loop, and the T-loop, and deviation of the inclination of base planes of the acceptor stem and the anticodon-binding stem of tRNAArgCCU...

Ngày tải lên: 18/02/2014, 11:20

... these conditions, hence the lack of reformation of POR-PChlide650 Addition of low concentrations of NADPH to PLB aged at pH 7.5 which show only limited structural reorganization, in contrast, ... percentage photoconversion in response to one, two, and four saturating flashes of white light (B) Variation of the wavelength of the absorption maximum of PChlide with NADPH concentration Ó FEBS 2002 ... The effect of the presence of the adenylates on the ability of POR-PChlide640 to undergo photoconversion was checked by comparing the efficiency of photoconversion of PLB samples containing excess...

Ngày tải lên: 22/02/2014, 04:20

... structure of amorphous ribbons is high As we well know, TC of the ferromagnetic material 40 m /s depends on exchange interaction and coordination number Exchange interaction depends on electron -2 configuration ... 2) The change of µmax and HC is not monotone with cooling rate At cooling rate of 30 m/s the soft magnetic properties are the best because the crystallization volume fraction is of 84% which possible ... influenced on the crystallization, magnetic properties and magnetocaloric effect of the ribbons The increase of cooling rate leads to increasing crystallization activation energy and crystallization...

Ngày tải lên: 05/03/2014, 14:20

... using the equations of motion method [17] The equations of motion method of the dot Green function gives rise to an infinite order system of higher-order Green functions An approximation procedure ... system of equations, thus producing the closed set of equations To the truncation, we approximate the Green functions up to the second order of U This truncation ensures that most of the interaction ... the Fermi level, one electron from the ring should jump into the dot Conclusion In conclusion, we obtained the current expression as a function of the intradot Coulomb interaction and the AB phase...

Ngày tải lên: 05/03/2014, 14:20

... functions − Onto, one-to-one, identity, inverse, composition of functions, sum, difference product, quotient of two functions, constant function, linear function, polynomial function, rational ... transformation of a product into a sum or difference, conditional identities, trigonometrical equations, properties of triangles, solution of triangles (SSS, SAA and SAS types only), inverse trigonometrical ... function, exponential function, reciprocal function, absolute value function, greatest integer function, least integer function, signum function, odd and even functions, trigonometrical functions,...

Ngày tải lên: 08/03/2014, 12:20

... version of KNN The semantic weighting schema performs not as well as the distributional one in terms of precision In terms of learning accuracy, however, it surpasses it at greater values of k ... semi-automatic semantic lexicon construction Proceedings of COLING-ACL: 1110-1116 E.Riloff and J.Sheppard 1997 A corpus -based Tproach for building semantic lexicons Proceedings of EMNLP:127-132 0,45 ... versions of KNN The first was the one that determines the score for a class by simply counting its members among the nearest neighbors ("baseline") The second was the distance-weighted version of...

Ngày tải lên: 08/03/2014, 21:20

... relation Experiment Disambiguation of dependency relations was done using 75 anlbiguous constructions from Fukumoto (1992) Solving the ambiguity in the constructions involves choosing among two ... ambiguity comparing the strength of association for the two or more possible dependency relations Calculation of Strength of Association We calculate the Strength of Association (SA) score for m o d i ... t national investigation based Figure person defined by position cause prompt study expect An example of parsing a Japanese sentence precision 70.6% 81.2% 82.6% 87.0% any of the strength of association...

Ngày tải lên: 17/03/2014, 07:20

... of peaks of the sample with higher concentration was broader than that of the peaks of sample with lower concentration That means high concentration produced large particles By controlling concentration, ... diffusion of solutes from the solution or/and aggregation of other nuclei to their surface until the final size was attained In conventional coprecipitation, size (d) can be controlled by concentration ... The mechanism of formation of particles was understood as a short single burst of nucleation occurred when the concentration of constituent species reached critical supersaturation Then, the nuclei...

Ngày tải lên: 28/03/2014, 10:20

... concentration of zinc nitrate and potassium hydroxide solutions (Molar) Experimental 2.1 Preparation of pigments ZnO samples were prepared by hydrothermal method and used for the evaluation of ... evaluation of morphology effects of ZnO pigments on their optical properties The synthesis conditions were according to our previous works [18,19] Typical synthesis conditions of ZnO powders synthesized ... Science 270 (2013) 33–38 Table Synthesis conditions of hydrothermally synthesized ZnO pigments Morphology [Zinc solution]a [Hydroxide solution]a pH of final solution Temprature (◦ C) Time (h) Scale-like...

Ngày tải lên: 06/05/2014, 13:23

... differences of n values in UV or IR range may be due to the variation of dielectric functions of the films depending upon the deposition parameters The change of k values depending upon deposition Y.S ... additional oxygen gas The deposition power was kW The optical constants of the samples were not measured, but higher electron concentration may result in higher extinction coefficient and adsorption ... the substitution of Sn4q ions for In3q ions Minami et al reported that the peak intensity of XRD pattern decreased as the Zn concentration increased w11x, which means the decline of crystallinity...

Ngày tải lên: 24/05/2014, 13:53

... predicted on the basis of our preferred model, where though intervention was still dominated by intervention intervention was no longer dominated by intervention Instead intervention had an ICER of ... The ICER of each of the four interventions, based on actual data, also differed from that based on our preferred mapping model (see Table 3) – the most effective intervention (intervention 4) was ... the validity of mapping, in terms of how closely incremental cost per QALY estimates based on actual results align to those based on mapping, can only be provided by a series of converging results...

Ngày tải lên: 18/06/2014, 19:20