A linear expected-time algorithm for deriving all logical conclusions implied by a set of boolean inequalities

Consider a setR ofm binary relations on a set ofn boolean variables.R may imply a contradiction, the fixation of some variables at 0 or at 1 and/or the identification of some pairs of variables in direct or complemented form. An O(n) expected-time algorithm is given for the derivation of all such logical conclusions. Computational experiments with problems involving up to 2000 variables are reported on. The proposed algorithm is more than 100 times faster than previous methods whenn 100.On leave from Faculté Universitaire Catholique de Mons, Belgium. Written at CNRS, LAMSADE. Support of CNRS is gratefully acknowledged.     

An optimization model for software component selection under multiple applications development

Component based software development (CBSD) is well acknowledged as a methodology which establishes reusability of software and reduce development cost effectively. While developing enterprise application using component based software engineering (CBSE) methods, software component selection plays a very important role in the process of component retrieval, adaptation and assembly. However, most of current researches focus on technical aspects from domain engineering and application engineering to improve reusability and system efficiency rather than application of optimization methods in CBSD management, especially application in component selection. Moreover, few existing researches have concerned about the situation where a software developer or enterprise develops multi-applications at the same time. By introducing the concept of reusability and a new formulation of compatibility matrix, an optimization model is proposed to solve component selection problem considering reusability and compatibility simultaneously. The model can be used to assist software developers in selecting software components when multi-applications are undertaken concurrently. Four experiments are conducted with the purpose to provide some insights in management perspective.     

高效液相色谱法测定复硝酚钠的三种组分

提出了高效液相色谱法同时测定植物激素复硝酚钠的3个组分,5-硝基愈创木酚钠、邻硝基苯酚钠、对硝基苯酚钠含量的方法。以Hypersil BDS C_(18)(200mm×4.6mm,5μm)色谱柱为分离柱,以甲醇-水(55+45)溶液为流动相,用二极管阵列检测器在235nm波长处测定。3个组分的质量浓度均在5～300 mg·L~(-1)之间与其峰面积呈线性关系。标准加入法测得回收率在99.5%～101.7%之间。加入50 mg·L~(-1)上述3个组分的混合标准溶液对方法的精密度进行试验,测得其相对标准偏差(n=6)依次为0.46%,0.37%,0.53%。     

CID型ICP光谱仪分析钢中稳定夹杂物的8种组分含量

本文探讨了以CID作检测器的全谱直读ICP光谱仪测定钢中稳定夹杂物化学组分的方法，并从试液制备、谱线选定、介质影响、方法检出限和精密度等方面进行了讨论，样品测定结果较好，满足了工作的需要。     

Structure-property correlations of a series of antimalarial chloroquine derivatives

Summary As part of the development of our in-house molecular modelling package, COSMIC, the structure-property relationships of a series of 13 antimalarial chloroquine derivatives have been investigated using physicochemical properties calculated from molecular models. This has involved the use of various statistical techniques. The compounds were analysed using three different modelling approximations concerning assumptions about the invariant amino alkyl side chain. The first two sets of data were obtained from models with and without the side shain using a formal charge of 0.0. Analysis of these data using principal components resulted in plots of principal component scores in which activity categories were separated. In the third data set, the side chain was modelled with a charge of +1 and an examination of the molecular properties showed poorer clustering of activity categories. We have also investigated relationships between biological activity and physicochemical properties using multiple linear regression. Although significant equations were developed, the correlation coefficients were low and it was not felt that they would be useful for quantitative prediction. The identification of important variables, however, may give some clues to the mechanism of action of these compounds.

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Beziehungen zwischen Strukturen und Eigenschaften einer Reihe von Chloroquinderivaten mit Antimalariawirkung

Zusammenfassung Die physikalisch-chemischen Eigenschaften von 13 Chloroquinderivaten mit Antimalariawirkung wurden mittels Molekülmodellrechnungen bestimmt und unter Anwendung verschiedener statistischer Analysenmethoden ausgewertet. Die Untersuchungen sind Teil der firmeneigenen Entwicklung eines Software-Paketes für Molecular Modelling mit Namen COSMIC. Die konstante Aminoalkylseitenkette der Verbindungen wurde in den Modellierungen mit drei verschiedenen Näherungsannahmen berücksichtigt. Für die beiden ersten Datensätze wurde mit ungeladener Seitenkette und ohne Seitenkette gerechnet. Hauptkomponentenzerlegung der Daten ergab in beiden Fällen klare Trennungen hinsichtlich der Aktivitätskategorien. Bei der Berechnung des dritten Datensatzes wurde die Seitenkette mit einer Ladung von +1 modelliert. Die Clusterung der molekularen Daten in Aktivitätskategorien war in diesem Fall wesentlich schwächer ausgeprägt als in den beiden anderen Fällen. Außerdem wurde die Beziehung zwischen der biologischen Aktivität und den physikalisch-chemischen Eigenschaften durch multiple lineare Regressionsanalyse untersucht. Ungeachtet der Möglichkeit einer Herleitung von signifikanten Gleichungen waren die Korrelationskoeffizienten so gering, daß man die Beziehungen als ungeeignet für eine quantitative Vorhersage ansehen muß. Die ldentifikation der wichtigen Variablen kann aber dessenungeachtet nützliche Hinweise auf die Wirkmechanismen dieser Substanzklasse geben.

     

膜技术在中药有效部位和有效成分提取分离中的应用

膜分离具有效率高、能耗低、操作简便、环境友好等优点,在中药制剂生产中呈现出显著的技术优势和广阔的应用前景。本文简要综述了膜技术在中药有效部位和有效成分的提取分离中的应用现状和发展趋势,主要涉及膜分离技术的原理和可行性分析,应用实例。最后指出了膜分离技术的应用要点和需要解决的关键问题等。     

肉苁蓉种子成分及活力的红外光谱分析

采用傅里叶变换红外光谱法(FTIR),分析研究了肉苁蓉种子不同部位及其在不同处理后的光谱特征和成分差异。结果显示,肉苁蓉种子成分组成丰富,同时存在蛋白质、脂类和碳水化合物的特征吸收峰,并且推测含有果胶质和芳香类化合物。肉苁蓉种皮和种仁的成分差异很大,2 926,1 746,1 161及721 cm-1处一系列强峰说明种仁中的油脂类成分含量非常高,而种皮中1 054 cm-1处碳水化合物和果胶质类的特征吸收峰最强。霉变或高温处理后肉苁蓉种子中与活力相关的蛋白质及糖类含量明显减少,而有活力的种子中蛋白质与脂类所在特征区域的峰高比(I_{1 630}／I_{1 745})(cm-1)均大于1.05。而肉苁蓉种仁失活后酰胺Ⅰ带与脂类特征峰的强度比值(I_{1 653}／I_{1 745})由0.31降为0.23,降幅达25.8%。研究表明,红外光谱法不仅可应用于肉苁蓉种子成分的全面快速分析,而且还可更深入应用于种子生活力、种子寿命乃至种子质量的快速分析与测定。     

Optimal single machine scheduling of products with components and changeover cost

We consider the problem of scheduling products with components on a single machine, where changeovers incur fixed costs. The objective is to minimize the weighted sum of total flow time and changeover cost. We provide properties of optimal solutions and develop an explicit characterization of optimal sequences, while showing that this characterization has recurrent properties. Our structural results have interesting implications for practitioners, primarily that the structure of optimal sequences is robust to changes in demand.     

Method ruggedness studies incorporating a risk based approach: a tutorial

This tutorial explains how well thought-out application of design and analysis methodology, combined with risk assessment, leads to improved assessment of method ruggedness. The authors define analytical method ruggedness as an experimental evaluation of noise factors such as analyst, instrument or stationary phase batch. Ruggedness testing is usually performed upon transfer of a method to another laboratory, however, it can also be employed during method development when an assessment of the method's inherent variability is required. The use of a ruggedness study provides a more rigorous method for assessing method precision than a simple comparative intermediate precision study which is typically performed as part of method validation. Prior to designing a ruggedness study, factors that are likely to have a significant effect on the performance of the method should be identified (via a risk assessment) and controlled where appropriate. Noise factors that are not controlled are considered for inclusion in the study. The purpose of the study should be to challenge the method and identify whether any noise factors significantly affect the method's precision. The results from the study are firstly used to identify any special cause variability due to specific attributable circumstances. Secondly, common cause variability is apportioned to determine which factors are responsible for most of the variability. The total common cause variability can then be used to assess whether the method's precision requirements are achievable. The approach used to design and analyse method ruggedness studies will be covered in this tutorial using a real example.     

激光诱导击穿光谱技术对火车车轮钢中成分的原位统计分布分析表征

随着铁路规模的迅速扩大,对列车运行的可靠性及耐久性的要求也越来越高,车轮作为铁路机车车辆行走系统的核心部件,它与轨道之间的摩擦既要保证安全又要提升速度,车轮材料的性能直接影响车轮对磨损和滚动接触疲劳损伤的敏感性,其服役性能也受到高度关注。研究表明,车轮钢材料的成分及分布状态可对其组织性能产生显著影响,因此,运用激光诱导击穿光谱分析技术结合原位统计分布分析方法,通过其可多元素同步快速分析的高效性、较好的空间分辨能力、较大区域内的扫描分析能力等技术优势,结合统计分布分析方法,实现对车轮钢材料成分及其分布状态的快速表征。选取垂直于车轮轮辋外侧面作为分析面,对其进行低倍检测观察到在远离踏面的区域存在明显的粗大树枝晶结构,其组织结构存在不均匀性,并以此作为特征分析区域进行取样,采用320目的氧化铝砂纸进行表面处理,利用LIBSOPA系统进行成分分布分析。首先,在不同剥蚀条件下对各元素特征谱线的光谱信号强度及其稳定性进行比对分析,优化选定了20个预剥蚀10个剥蚀作为实验条件;其次,采用内标法建立了火车车轮钢中Si,Mn,P,S,Cr,Ni,Mo,Cu和V等九个元素的定量分析方法并对车轮钢样品中的元素含量进行测定,其定量结果与直读光谱分析的结果具有较好的一致性;最后对样品进行了区域扫描并运用统计偏析度对各元素的成分分布状态进行了统计表征,成分分布分区统计结果显示所有元素靠近踏面区域的统计偏析度均小于远离踏面区的统计偏析度,结合成分二维分布图可知,测试样品远离踏面区域的成分分布不均匀,其结果与低倍检验方法观察到的结果对应性较好。运用LIBSOPA 技术实现了对火车车轮钢材料中多元素的成分分布表征,为快速判定车轮钢材料成分及分布状态提供了全新的思路和表征手段。