Pattern Hit-and-Run (PHR) is a Markov chain Monte Carlo sampler for a target distribution that was originally designed for general sets embedded in a box. A specific set of interest to many applications is a polytope intersected with discrete or mixed continuous/discrete lattices. PHR requires an acceptance/rejection mechanism along a bidirectional walk to guarantee feasibility. We remove this inefficiency by utilizing the linearity of the constraints defining the polytope, so each iteration of PHR can be efficiently implemented even though the variables are allowed to be integer valued. Moreover, PHR converges to a uniform distribution in polynomial time for a class of discrete polytopes. 相似文献
A novel series of thiosemicarbazide-substituted coumarins was synthesized and the inhibitory effects against four physiologically relevant carbonic anhydrase isoforms I, II, IX and XII showed selective activities on the tumor-associated IX and XII isozymes. Molecular modeling studies on selected compounds 14a and 22a were performed. The binding modes of such compounds were determined assuming their enzymatically active structures (i.e., cinnamic acid) in the thermodynamically favored, and not previously explored, E geometry. Molecular modelling suggests multiple interactions within the enzymatic cavity and may explain the high potency and selectivity reported for the hCAs IX and XII. 相似文献
The primary purpose of this investigation is to observe the effect of the pitching motion on the vortical flow structure and bursting of leading-edge vortices over a delta wing under the sideslip angle, β using a dye visualization technique. In the current work, a delta wing with a sweep angle of Λ = 70° was oscillated in upstroke and downstroke direction to be able to discover the influence of pitching motion on the flow characteristics of the delta wing. The values of mean angles of attack were selected as αm = 25° and αm = 35°, and the sideslip angle was altered from β = 0 to 16°. The delta wing oscillated with the various periods of Te = 5 s, 20 s, and 60 s, respectively. Amplitude of motion was adjusted as αo = ± 5°. It is found that the pitching motion of the delta wing under the sideslip angle β varies the location of the vortex bursting and vortical flow structure substantially.
By the use of translation formula for Slater type orbitals (STOs), three-center nuclear attraction integralsare represented in terms of two-center overlap and nuclear attraction integrals. The computing results for the formulapresented here has been tested under wide changes in molecular parameters and good convergence has been obtainedwith the prior literature. 相似文献
Research on Chemical Intermediates - This study includes the synthesis, characterization, electrochemical analysis and photoluminescence properties of a Schiff base ligand bearing a pyrimidine ring... 相似文献
In the title compound, poly[(μ3‐boric acid)‐μ4‐maleato‐dipotassium], [K2(C4H2O4){B(OH)3}]n, there are two independent K+ cations, one bonded to seven O atoms (three from boric acid and four from maleate), and the other eight‐coordinate via three boric acid and four maleate O atoms and a weak η1‐type coordination to the C=C bond of the maleate central C atoms. Hydrogen bonding links the boric acid ligands and maleate dianions, completing the packing structure. 相似文献
In this study, structural and optoelectronic properties and photodedection characteristics of diodes constructed from p-zinc telluride (ZnTe) thin film/n-silicon (Si) nanowire heterojunctions are reported. Dense arrays of vertically aligned Si nanowires were successfully synthesized on (1 1 0)-oriented n-type single crystalline Si wafer using simple and inexpensive metal-assisted etching (MAE) process. Following the nanowire synthesis, p-type ZnTe thin films were deposited onto vertically oriented Si nanowires via radio frequency magnetron sputtering to form three-dimensional heterojunctions. A comparative study of the structural results obtained from X-ray diffraction and Raman spectroscopy measurements showed the improved crystallinity of the ZnTe thin films deposited onto the Si nanowire arrays. The fabricated nanowire-based heterojunction devices exhibited remarkable diode characteristics and enhanced optoelectronic properties and photosensitivity in comparison to the planar reference. The electrical measurements revealed that the diodes with nanowires had a well-defined rectifying behaviour with a rectification ratio of 104 at ±2 V and a relatively small ideality factor of n = 1.8 with lower reverse leakage current and series resistance at room temperature in dark condition. Moreover, an open-circuit voltage of 100 mV was also observed under illumination. Based on spectral photoresponsivity measurements, the nanowire-based device exhibited a distinct responsivity and high detectivity in visible and near-infrared (NIR) wavelength regions. The device characteristics observed here offer that the fabricated ZnTe thin film/Si nanowire-based p–n heterojunction structures will find important applications in future and will be a promising candidate for high-performance and low-cost optoelectronic device applications, NIR photodedectors in particular. 相似文献
This paper presents faster inversion-free point addition formulas for the curve \(y (1+ax^2) = cx (1+dy^2)\). The proposed formulas improve the point doubling operation count record (I, M, S, D, a are arithmetic operations over a field. I: inversion, M: multiplication, S: squaring, D: multiplication by a curve constant, a: addition/subtraction) from \(6\mathbf{{M}}+ 5\mathbf{{S}}\) to \(8\mathbf{{M}}\) and mixed addition operation count record from \(10\mathbf{{M}}\) to \(8\mathbf{{M}}\). Both sets of formulas are shown to be 4-way parallel, leading to an effective cost of \(2\mathbf{{M}}\) per either of the group operations. 相似文献