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31.
A High-Order Finite Difference Scheme for 3D Unsteady Convection Diffusion Reaction Equations北大核心CSCD 下载免费PDF全文
针对三维非稳态对流扩散反应方程,构造了一种高精度紧致有限差分格式,对空间的离散采用四阶紧致差分方法,对时间的离散采用Taylor级数展开和余项修正技术,所提格式在时间上的精度为二阶、在空间上的精度为四阶。利用Fourier稳定性分析法证明了该格式是无条件稳定的。最后给出数值算例验证了理论结果。 相似文献
32.
《Discrete Mathematics》2022,345(3):112739
A ballot permutation is a permutation π such that in any prefix of π the descent number is not more than the ascent number. By using a reversal-concatenation map, we (i) give a formula for the joint distribution (pk, des) of the peak and descent statistics over ballot permutations, (ii) connect this distribution and the joint distribution (pk, des) over ordinary permutations in terms of generating functions, and (iii) confirm Spiro's conjecture which finds the equidistribution of the descent statistic for ballot permutations and an analogue of the descent statistic for odd order permutations. 相似文献
33.
用原位变温 31P NMR和分子模拟研究了手性氮磷配体与金属钌的配位过程。首先确定了配体及其与金属的配合物的化学位移信号分别在δ=-13.0ppm和δ=48.2ppm。配位过程在293~343K温度范围内,相继生成四配位和五配位中间体。四配位体在 31P NMR上对应于30.8ppm和-15.0ppm的两个信号;五配位中间体对应于35.1ppm和-16.5ppm的两个信号;最后在343K,产物中只有六配位的配合物存在,其信号出现在48.2ppm。为了得到各种中间体的结构,用分子模拟方法进行了结构优化计算,并比较了它们的构象能。计算结果表明,四配位中间体有两种构象,能量相差9kcal·mol-1,它们可能同时存在于平衡状态。而五配位中间体只有一种绝对优势构象,尚有一个磷原子未参与配位。六配位的钌金属配合物的结构优化结果显示,两个氯原子分别位于PNNP原子所构成平面的两侧。其构象能为162.0kcal·mol-1,其中键角能的贡献是112.5kcal·mol-1,而非键静电作用是-41.4kcal·mol-1,这表明分子内的静电吸引力对于形成完全配位产物是十分有利的,但是收敛的配体分子却承受了较大的键角张力。 相似文献
34.
35.
Multiple-locus variable number tandem repeats analysis for genetic fingerprinting of pathogenic bacteria 总被引:1,自引:0,他引:1
Lindstedt BA 《Electrophoresis》2005,26(13):2567-2582
DNA fingerprinting has attracted considerable interest as means for identifying, tracing and preventing the dissemination of infectious agents. Various methods have been developed for typing of pathogenic bacteria, which differ in discriminative power, reproducibility and ease of interpretation. During recent years a typing method, which uses the information provided by whole genome sequencing of bacterial species, has gained increased attention. Short sequence repeat (SSR) motifs are known to undergo frequent variation in the number of repeated units through cellular mechanisms most commonly active during chromosome replication. A class of SSRs, named variable number of tandem repeats (VNTRs), has proven to be a suitable target for assessing genetic polymorphisms within bacterial species. This review attempts to give an overview of bacterial agents where VNTR-based typing, or multiple-locus variant-repeat analysis (MLVA) has been developed for typing purposes, together with addressing advantages and drawbacks associated with the use of tandem repeated DNA motifs as targets for bacterial typing and identification. 相似文献
36.
Rational drug design involves finding solutions to large combinatorial problems for which an exhaustive search is impractical. Genetic algorithms provide a novel tool for the investigation of such problems. These are a class of algorithms that mimic some of the major characteristics of Darwinian evolution. LEA has been designed in order to conceive novel small organic molecules which satisfy quantitative structure-activity relationship based rules (fitness). The fitness consists of a sum of constraints that are range properties. The algorithm takes an initial set of fragments and iteratively improves them by means of crossover and mutation operators that are related to those involved in Darwinian evolution. The basis of the algorithm, its implementation and parameterization, are described together with an application in de novo molecular design of new retinoids. The results may be promising for chemical synthesis and show that this tool may find extensive applications in de novo drug design projects. 相似文献
37.
We used the recombinant phage display antibody system (RPAS) to obtain chimeric single-chain fragment variable (ScFv) antibodies
to gill proteins of the white clam Codakia orbicularis (Linné, 1758). After three rounds of selection on immunotubes loaded with total gill protein extract, recombinant phages
exhibiting antibodies to gill proteins were isolated and tested by enzyme-linked immunosorbent assay (ELISA). Clones exhibiting
a high affinity for the mollusk proteins were selected for production of soluble ScFv antibodies, which were purified for
subsequent analysis. ScFv antibodies exhibited a reaction specific for a protein whose molecular mass was about 15,000 Daltons
and that was detected by the antigen capture technique followed by sodium dodecyl sulfate polyacrylamide gel electrophoresis
and Western blotting. 相似文献
38.
Masaaki Sibuya 《Annals of the Institute of Statistical Mathematics》1991,43(2):261-285
An elementary majorant-minorant method to construct the most stringent Bonferroni-type inequalities is presented. These are essentially Chebyshev-type inequalities for discrete probability distributions on the set {0, 1,..., n}, where n is the number of concerned events, and polynomials with specific properties on the set lead to the inequalities. All the known results are proved easily by this method. Further, the inequalities in terms of all the lower moments are completely solved by the method. As examples, the most stringent new inequalities of degrees three and four are obtained. Simpler expressions of Mrgritescu's inequality (1987, Stud. Cerc. Mat., 39, 246–251), improving Galambos' inequality, are given. 相似文献
39.
In this paper, we present the concept of the logical entropy of order m, logical mutual information, and the logical entropy for information sources. We found upper and lower bounds for the logical entropy of a random variable by using convex functions. We show that the logical entropy of the joint distributions and is always less than the sum of the logical entropy of the variables and . We define the logical Shannon entropy and logical metric permutation entropy to an information system and examine the properties of this kind of entropy. Finally, we examine the amount of the logical metric entropy and permutation logical entropy for maps. 相似文献
40.