An Ontology for G2G Collaboration in Public Policy Making,Implementation and Evaluation

This paper concerns the development and use of ontologies for electronically supporting and structuring the highest-level function of government: the design, implementation and evaluation of public policies for the big and complex problems that modern societies face. This critical government function usually necessitates extensive interaction and collaboration among many heterogeneous government organizations (G2G collaboration) with different backgrounds, mentalities, values, interests and expectations, so it can greatly benefit from the use of ontologies. In this direction initially an ontology of public policy making, implementation and evaluation is described, which has been developed as part of the project ICTE-PAN of the Information Society Technologies (IST) Programme of the European Commission, based on sound theoretical foundations mainly from the public policy analysis domain and contributions of experts from the public administrations of four European Union countries (Denmark, Germany, Greece and Italy). It is a ‘horizontal’ ontology that can be used for electronically supporting and structuring the whole lifecycle of a public policy in any vertical (thematic) area of government activity; it can also be combined with ‘vertical’ ontologies of the specific vertical (thematic) area of government activity we are dealing with. In this paper is also described the use of this ontology for electronically supporting and structuring the collaborative public policy making, implementation and evaluation through ‘structured electronic forums’, ‘extended workflows’, ‘public policy stages with specific sub-ontologies’, etc., and also for the semantic annotation, organization, indexing and integration of the contributions of the participants of these forums, which enable the development of advanced semantic web capabilities in this area.     

E(FG)<Superscript>2</Superscript>: a new fixed-grid shape optimization method based on the element-free galerkin mesh-free analysis

We propose a shape optimization method over a fixed grid. Nodes at the intersection with the fixed grid lines track the domain’s boundary. These “floating” boundary nodes are the only ones that can move/appear/disappear in the optimization process. The element-free Galerkin (EFG) method, used for the analysis problem, provides a simple way to create these nodes. The fixed grid (FG) defines integration cells for EFG method. We project the physical domain onto the FG and numerical integration is performed over partially cut cells. The integration procedure converges quadratically. The performance of the method is shown with examples from shape optimization of thermal systems involving large shape changes between iterations. The method is applicable, without change, to shape optimization problems in elasticity, etc. and appears to eliminate non-differentiability of the objective noticed in finite element method (FEM)-based fictitious domain shape optimization methods. We give arguments to support this statement. A mathematical proof is needed.     

The Approximation and Computation of a Basis of the Trace Space <Emphasis Type="Italic">H</Emphasis><Superscript>1/2</Superscript>

We present a method for construction of an approximate basis of the trace space H ^1/2 based on a combination of the Steklov spectral method and a finite element approximation. Specifically, we approximate the Steklov eigenfunctions with respect to a particular finite element basis. Then solutions of elliptic boundary value problems with Dirichlet boundary conditions can be efficiently and accurately expanded in the discrete Steklov basis. We provide a reformulation of the discrete Steklov eigenproblem as a generalized eigenproblem that we solve by the implicitly restarted Arnoldi method of ARPACK. We include examples highlighting the computational properties of the proposed method for the solution of elliptic problems on bounded domains using both a conforming bilinear finite element and a non-conforming harmonic finite element. In addition, we document the efficiency of the proposed method by solving a Dirichlet problem for the Laplace equation on a densely perforated domain.     

H2CX,(CH2)2X(X=O,S)与氟分子间卤键复合物结构和性质的研究

为进一步了解卤键的作用本质,在MP2(full)/6-311++G(d,P)水平七,采用Ganssian 03量子化学软件包、AIM2000程序和电子密度拓扑分析程序GTA 2000,从理论上研究H2CX…F2,(CH2)2X…F2(X=0,S)分子间卤键复合物的结构和性质,计算和分析复合物的几何构型、分子间相瓦作用能、化学键的电子密度拓扑性质等.研究表明,H2CX,(CH2)2X(X=O,S)与F2间存在键鞍点,卤键的形成方向正好是O原子(或S原子)的电子密度浓集区伸展的方向;分子间卤键的形成伴随着F-F键键长的增加、振动频率的红移及电子密度拓扑性质的改变,复合物中的卤键介于共价键与离子键之间,偏于静电作用成分为主;析且H2CS,(CH2)2S与F2间作用强于H2CO,(CH2)2O与F2间的作用.     

Intuitionistic (<Emphasis Type="Italic">S</Emphasis>, <Emphasis Type="Italic">T</Emphasis>)-fuzzy hyperquasigroups

The concept of intuitionistic fuzzy subhyperquasigroups in a hyperquasigroup with respect to an s-norm and a t-norm on intuitionistic fuzzy sets is introduced and their properties of such hyperquasigroups are studied. Intuitionistic (S, T)-fuzzy relations on a hyperquasigroup G are discussed. In particular, we investigate connections hyperquasigroups with binary quasigroups.     

Fabrication of a highly selective and sensitive Gd(III)-PVC membrane sensor based on N-(2-pyridyl)-N′-(4-nitrophenyl)thiourea

In this work we report the development of a highly selective and sensitive Gd(III) membrane based on N-(2-pyridyl)-N′-(4-nitrophenyl)thiourea (PyTu4NO₂) as an excellent neutral ion carrier. The Gd(III) sensor exhibits a Nernstian slope of 19.95 ± 0.3 mV per decade over the concentration range of 3.0 × 10⁻⁷ to 1.0 × 10⁻¹ M, and a detection limit of 3.0 × 10⁻⁷ M of Gd(III) ions. The potentiometric response of the sensor is independent of the solution pH in the range of 4.0–9.0. It manifests advantages of low detection limit, fast response time (10 s), and most significantly, very good selectivity with respect to a number of lanthanide ions (La, Ce, Sm, and Eu ions). It can be used at least for a period of 8 weeks without any significant divergences in its potential response. To assess its analytical applicability the proposed Gd(III) sensor was successfully applied as an indicator electrode in the titration of Gd(III) ion solutions with EDTA and for the determination of the fluoride ion in two mouth wash preparations. It was also used for the direct monitoring of Gd(III) ions in binary mixtures.     

A method for exact reliability of consecutive2-out-of-(r, r)-from-(n, n):F systems

A new reliability model, consecutive 2‐out‐of‐(r, r)‐from‐(n, n):F model, is proposed. The consecutive 2‐out‐of‐(r, r)‐from‐(n, n):F system consists of a square grid of side n (containing n² components) such that the system fails if and only if there is at least one square of side r which includes among them at least two failed components. For i.i.d. case an algorithm is given for computing the reliability of the system. The reliability function can be expressed by the number of 0–1 matrices having no two or more 0s at any square of side r.     

Fault Identification in System-Level Diagnosis: a Logic-Based Framework and an <Emphasis Type="Italic">O</Emphasis>(<Emphasis Type="Italic">n</Emphasis><Superscript>2</Superscript>\sqrt{τ}/{\log <Emphasis Type="Italic">n</Emphasis>}) Algorithm

Much research has been devoted to system-level diagnosis—SLD. Two issues have been addressed. The first of these is diagnosability, i.e., provide necessary and sufficient conditions for a system of n units to be diagnosable provided that the number of faulty units does not exceed τ . The second is the design of fault identification algorithms, assuming that the system being considered is diagnosable. This paper focuses on the second of these concerns, discussing several algorithms of which the most efficient runs in O(n ^2.5 ) . By considering a logical framework, this paper investigates the process of fault identification and proposes a fault identification algorithm which runs in O( n ² \sqrt τ / \sqrt log n ) , τ < n/2 . Received January 10, 2000; revised August 3, 2000.     

PLC在亚镍自动化连续生产线中的设计与应用

系统介绍了PLC在在亚镍自动化连续生产线中的应用，对整个系统的结构，功能和软件设计均作了说明，投入运行结果表明优点明显，效果良好。     

Chk2抑制剂2-芳香基苯并咪唑类化合物活性的CoMFA研究

利用比较分子力场分析(CoMFA)法,研究训练集中的37个Chk2抑制剂2-芳香基苯并咪唑类化合物的生物活性,考察了互变异构对抑制剂活性的影响,建立了主成分为4的三维定量结构-活性关系模型.模型的交叉和非交叉验证回归系数(q2、r2)分别为0.660和0.908,是稳定性较高和预测能力较好的模型,立体场对活性的影响比静电场大.模型可用于指导设计新的Chk2抑制剂.     

Single-cycle and multi-cycle generalized 2D model predictive iterative learning control (2D-GPILC) schemes for batch processes

In this paper, iterative learning control (ILC) system is modeled and designed from a two-dimensional (2D) system point of view. Based on a 2D cost function defined over a single-cycle or multi-cycle prediction horizon, two ILC schemes, referred respectively as single-cycle and multi-cycle generalized 2D predictive ILC (2D-GPILC) schemes, have been proposed and formulated in the GPC framework for the 2D system. Analysis shows that the resulted control schemes are the combination of a time-wise GPC and a cycle-wise ILC optimized in 2D sense. Guidelines for parameter tuning have been proposed based on the ultimate performance analysis for the control system. Simulation shows that the multi-cycle 2D-GPILC outperforms the single-cycle 2D-GPILC in term of cycle-wise convergence.     

L(2, 1)-labellings for direct products of a triangle and a cycle

An L(2, 1)-labelling of a graph G is a vertex labelling such that the difference of the labels of any two adjacent vertices is at least 2 and that of any two vertices of distance 2 is at least 1. The minimum span of all L(2, 1)-labellings of G is the λ-number of G and denoted by λ(G). Lin and Lam computed λ(G) for a direct product G=K _m ×P _n of a complete graph K _m and a path P _n . This is a natural lower bound of λ(K _m ×C _n ) for a cycle C _n . They also proved that when n≡ 0±od 5m, this bound is the exact value of λ(K _m ×C _n ) and computed the value when n=3, 5, 6. In this article, we compute the λ-number of G, where G is the direct product K ₃×C _n of the triangle and a cycle C _n for all the other n. In fact, we show that among these n, λ(K ₃×C _n )=7 for all n≠7, 11 and λ(K ₃×C _n )=8 when n=7, 11.     

A potential red-emitting phosphors scheelite-like triple molybdates LiKGd_2(MoO_4)_4:Eu~(3+) for white light emitting diode applications

A series of novel red-emitting phosphors scheelite-like triple molybdates LiKGd2-xEux(MoO4)4(0.1 ≤ x ≤ 1.9) were synthesized by solid state reaction method and their photoluminescence properties were investigated. The photoluminescence results show that all samples can be excited efficiently by UV (396 nm) light and blue (466 nm) light and emit red (615 nm) light with line spectra,which are coupled well with the characteristic emission from UV-LED and blue LED,respectively. The experimental results and thei...     

Two Ways to Grid: The Contribution of Open Grid Services Architecture (OGSA) Mechanisms to Service-Centric and Resource-Centric Lifecycles

Service Oriented Architectures (SOAs) support service lifecycle tasks, including Development, Deployment, Discovery and Use. We observe that there are two disparate ways to use Grid SOAs such as the Open Grid Services Architecture (OGSA) as exemplified in the Globus Toolkit (GT3/4). One is a traditional enterprise SOA use where end-user services are developed, deployed and resourced behind firewalls, for use by external consumers: a service-centric (or ‘first-order’) approach. The other supports end-user development, deployment, and resourcing of applications across organizations via the use of execution and resource management services: A Resource-centric (or ‘second-order’) approach. We analyze and compare the two approaches using a combination of empirical experiments and an architectural evaluation methodology (scenario, mechanism, and quality attributes) to reveal common and distinct strengths and weaknesses. The impact of potential improvements (which are likely to be manifested by GT4) is estimated, and opportunities for alternative architectures and technologies explored. We conclude by investigating if the two approaches can be converged or combined, and if they are compatible on shared resources.     

2-(4-甲氧基苯基)亚肼基乙酸与乙醛酸反应密度泛函理论研究

本文应用量子化学密度泛函理论(DFT)研究了2-(4-甲氧基苯基)亚肼基乙酸与乙醛酸的反应机理及动力学行为,并研究了不同取代基对反应的影响.在RB3LYP/6-31G*水平上,优化了各反应通道的反应物、中间体、过渡态及产物的几何构型,计算了各驻点的振动频率、零点能和电荷分布.计算结果表明,该反应有2条反应通道,分别生成(2Z)和(2E)-3(4-甲氧基苯基二氮烯基)丙烯酸.产物发生了键长的平均化和电荷的重新分布.两反应通道具有相同的反应入口,Z式产物为主要产物,2-(4-甲氧基苯基)亚肼基乙酸中苯环对位被给电子基团取代,有利于反应进行.     

W_nH_2(n=1-6)团簇结构与性能的理论研究

采用密度泛函理论中的B3LYP方法在LANL2DZ基组水平上对H_2与W_n(n=1-6)团簇的相互作用进行了计算研究。结果表明,W_nH_2体系的最低能量结构是H2分子的解离性吸附,基本是在W_n团簇最低能量结构的基础上吸附H原子生长而成,说明吸附H原子未改变W_n(n=1-6)团簇的结构和形状;W_nH_2团簇的稳定性比W_n团簇要好;NBO分析表明,W原子比H原子对电荷调节能力稍强,较易与其他原子作用形成新的混合团簇。     

The reversible binding of hydrophobically end-capped poly(ethylene glycol)s to poly-β-cyclodextrin-coated gold surfaces: a surface plasmon resonance investigation

Polymers of β-cyclodextrin (β-CD) bearing amino groups (poly-β-CD-NH₂) were grafted to gold surfaces by two different procedures. Hydrophobically end-capped model-polymers were adsorbed onto resulting (poly-β-CD-NH₂)-coated sensor chips by formation of inclusion complexes. Their adsorption onto the surface was followed in real time by surface plasmon resonance (SPR). Multilayered structures obtained by inclusion of adamantyl-modified poly(ethylene glycol)s (Ad-PEG) into immobilized β-cyclodextrin cavities were highly stable in aqueous media. Conditions leading to the regeneration of initial (poly-β-CD-NH₂)-coated surfaces were studied by SPR. Regeneration by competitors such as polymers of β-cyclodextrin was possible. However, it was found to be a complex mechanism involving two opposite phenomena depending on the structure and composition of the (poly-β-CD-NH₂) layer. Complete desorption of the bound Ad-PEG layer was also observed after exposure of the multilayered structures to organic solvents or sodium dodecylsulfate (SDS).     

应用微机理论研究Ni(pz)_4Cl_2型络合物的光、热、磁性质

利用d8 (D 4h)全组态统一晶场理论模型 ,研究了Ni(pz) 4Cl2 型化合物能量矩阵的特征值、特征矢以及计算其ZFS、EPR参量的计算方法 ,并利用该方法拟合出了Ni(pz) 4Cl2 型化合物的光谱、ZFS和EPR参量 ,总结出利用微机对其拟合的一般规律 ,计算结果与实验值一致。     

The use of the Internet as a research tool: the nature and characteristics of seasonal affective disorder (SAD) amongst a population of users

Seasonal affective disorder (SAD) is a cyclical syndrome characterized by recurrent episodes of autumn or winter depression and atypical depressive symptoms. This paper describes the characteristics of an international sample of 425 Internet users who responded to newsgroup advertisements seeking people who experienced seasonal changes in mood and behaviour, and completed a modified version of the Seasonal Patterns Assessment Questionnaire. The relationship between SAD and latitude and the relatively novel use of the Internet as a means of data collection are discussed, with emphasis upon the theoretical, methodological and ethical issues encountered during such research.