Finding numerical solution of linear partial differential equations of first order with real coefficients

Applying Bittner's operational calculus we present a method to give approximate solutions of linear partial differential equations of first order

Likelihood estimation of soft-core interaction potentials for Gibbsian point patterns

The likelihood method is developed for the analysis of socalled regular point patterns. Approximating the normalizing factor of Gibbs canonical distribution, we simultaneously estimate two parameters, one for the scale and the other which measures the softness (or hardness), of repulsive interactions between points. The approximations are useful up to a considerably high density. Some real data are analyzed to illustrate the utility of the parameters for characterizing the regular point pattern.     

On Super-KMS functionals and entire cyclic cohomology

We formulate the super-KMS condition suggested by Connes and Kastler, in the context of entire cyclic cohomology of quantum algebras. We show that the Chern character of Jaffe, Lesniewski, and Osterwalder — associated by Kastler to a super-KMS functional — satisfies the entire growth condition. Hence, a super-KMS functional defines a cocycle for the entire cyclic cohomology of quantum algebras.Supported in part by the National Science Foundation.     

Representing workloads in GI/G/1 queues through the preemptive-resume LIFO queue discipline

We give in this paper a detailed sample-average analysis of GI/G/1 queues with the preemptive-resume LIFO (last-in-first-out) queue discipline: we study the long-run state behavior of the system by averaging over arrival epochs, departure epochs, as well as time, and obtain relations that express the resulting averages in terms of basic characteristics within busy cycles. These relations, together with the fact that the preemptive-resume LIFO queue discipline is work-conserving, imply new representations for both actual and virtual delays in standard GI/G/1 queues with the FIFO (first-in-first-out) queue discipline. The arguments by which our results are obtained unveil the underlying structural explanations for many classical and somewhat mysterious results relating to queue lengths and/or delays in standard GI/G/1 queues, including the well-known Bene's formula for the delay distribution in M/G/l. We also discuss how to extend our results to settings more general than GI/G/1.     

Chiral separations by host-guest complexation with cyclodextrin and crown ether in capillary zone electrophoresis

Summary Capillary zone electrophoresis using cyclodextrins and a chiral crown ether as buffer constituents was studied for the enantiomeric separation of drugs and amino acids. Based on results obtained from separation of racemic -amino acids both chiral selectors are compared with respect to resolution, efficiency and retention time. For (±)-Quinagolide effects of buffer composition and temperature are examined using -cyclodextrin as chiral agent. Optimum conditions were pH 2.5 at 30 mmol L^–1 -cyclodextrin. A linear dependence of retention on -cyclodextrin concentration allowed calculation of formation constants of the host-guest complexes. Buffer concentration and temperature also influence resolution. The application of a chiral crown ether to the separation of optical isomers in capillary zone electrophoresis is described for the first time. Chiral recognition of solutes depends on the formation of protonated alkyl amines and separation is attributed to the formation of diastereomeric host-guest complexes with different interactions for each enantiomer. The effects of crown ether concentration on resolution are presented.     

GC/MS分析新疆大麻烟中的大麻类物质

大麻类物质是大麻制品及大麻植物的主要成分。本文采用GC／MS技术分析了新疆大麻烟中的大麻类物质。在莎车的麻烟中检测到16种大麻类组分，如CBD-C3、CBT、Δ^9THCV、CBL、CBD-C4、CBC、CBV、CBD、CBCR、Δ^10sTHC、CBE、Δ^3THC、Δ^9THC、DCBF、CBG和CBN。按照GC／MS鉴定的通用法则，推定了它们的结构。     

几种改进的CoMFA方法比较研究血小板活化因子拮抗剂

由于传统的比较分子场分析(CoMFA)方法本身存在一些缺陷，使得分子的叠合 规则以及叠合分子的空间取向和空间位置等因素对q~2的影响很大，因此相继提出 了几种改进的CoMFA方法。为了优化CoMFA结果，应用传统的CoMFA方法和交叉验证 的R~2引导的区域选择法(q~2-GRS)、全取向搜索法（AOS）、全空间搜索法（APS） 以及比较分子相似性指数(CoMSIA)等四种改进的CoMFA方法，对18个pinusolide类 衍生物这类新发现的血小板活化因子（PAF）拮抗剂进行了比较研究。结果表明四 种改进的CoMFA方法得到的q~2值均比传统CoMFA的高。q~2-GRS方法得到的q~2值有 所提高，但综合结果并不理想，AOS与APS得到的q~2较为理想，而在CoMSIA中， q~2几乎不受空间取向或空间位置的影响。同时我们引人基于样本的偏最小二乘法 （SAMPLS）取代原AOS／APS程序中的传统PLS进行统计分析，明显提高了其运行速 度。最后，根据q~2最高的CoMFA模型和CoMSIA模型设计了几个预测活性更高的 pinusolide类似物。     

A spectroscopic study on the 12-heteropolyacids of molybdenum and tungsten (H3PMo12−nWnO40) combined with cetylpyridinium bromide in the epoxidation of cyclopentene

The epoxidation of cyclopentene with hydrogen peroxide catalyzed by 12-heteropolyacids of molybdenum and tungsten (H₃PMo_12−nW_nO₄₀, n = 1–11), 12-tungstophosphoric acid and 12-molybdophosphoric acid combined with cetylpyridinium bromide as a phase transfer reagent was carried out in acetonitrile. Among 13 heteropolyacids investigated, catalyst of H₃PMo₆W₆O₄₀ showed the highest activity, giving a conversion of 60% and a selectivity of 95% in the epoxidation of cyclopentene. The fresh catalysts and the catalysts under reaction condition were characterized by UV–vis, FT-IR and ³¹P NMR spectroscopy, which has revealed that all of the molybdotungstophosphoric acids were degraded in the presence of hydrogen peroxide to form a considerable amount of phosphorus-containing species. The active species resulted from H₃PMo₆W₆O₄₀ are new kinds of phosphorus-containing species, which is different from {PO₄[WO(O₂)₂]₄}³⁻.