基于Web的图书馆管理系统访问控制策略

针对基于Web的图书馆管理系统资源访问控制的动态性问题，提出了一种基于角色的访问控制策略描述方案．通过对基于Web的图书馆管理系统访问控制管理影响因素和访问控制需求的分析，结合NIST基于角色的访问控制统一模型标准，构造了一种基于角色的访问控制元模型．并在这一元模型的基础上，提出了一种紧凑的基于角色的访问控制XML策略描述语言框架．结果表明该访问控制策略描述语言框架适合表述动态环境下对图书馆资源的访问策略，提高了基于Web的图书馆管理系统资源访问的安全性．     

Communication Roles, Perceived Effectiveness, and Satisfaction in an Environmental Management Program

Earlier research has shown a relationship between various forms of structural centrality and perceived leadership and role satisfaction in small experimental groups. The limited amount of research on this topic in naturally occurring social networks has yielded results that often conflict with one another. Different results have generally been attributed to possible differences in task environments. This paper examines the relationship between two types of structural centrality and perceived influence, role satisfaction, and perceived effectiveness in an environmental resource management program. Findings in this paper suggest that the observed differences in relationships between the network and other variables is partly a function of global network properties (e.g., marginality of subgroups) and related task environments. This revised version was published online in August 2006 with corrections to the Cover Date.     

EFFECTS OF COUPLING AGENTS ON THE CRYSTALLIZATION BEHAVIOR OF PP/T-ZnOw COMPOSITES

The objectives of this paper are to understand the crystallization behavior of polypropylene(PP)composites with surface modified tetra-needle-shaped zinc oxide whisker(T-ZnOw).T-ZnOw was surface modified with different coupling agents,such as silane coupling agents(KH-550,KH-560)and titanate coupling agent(NDZ-105),in order to improve the compatibility between PP and T-ZnOw.DSC and POM were used to characterize the melt and crystallization behavior and the crystalline structures of the composites,respectively.The results show that the surface modified T-ZnOw acts as a nucleating agent of PP crystallization,depending on the coupling agent used for modification.KH-550 and KH-560 have more apparent role in improving the interfacial interaction than NDZ-105 and induce PP crystallization at higher temperature and with smaller spherulites size.The results also suggest that the crystallization behavior depends on not only the content of coupling agent,but also the content of the surface modified T-ZnOw used in the composites.     

Different catalysis role of in‐loop and out‐of‐loop waters in assisting HNS/HSN proton transfer isomerizations: Bridging vs. surrounding effect

In this work, a density function theory (DFT) study is presented for the HNS/HSN isomerization assisted by 1–4 water molecules on the singlet state potential energy surface (PES). Two modes are considered to model the catalytic effect of these water molecules: (i) water molecule(s) participate directly in forming a proton transfer loop with HNS/HSN species, and (ii) water molecules are out of loop (referred to as out‐of‐loop waters) to assist the proton transfer. In the first mode, for the monohydration mechanism, the heat of reaction is 21.55 kcal · mol^?1 at the B3LYP/6‐311++G** level. The corresponding forward/backward barrier lowerings are obtained as 24.41/24.32 kcal · mol^?1 compared with the no‐water‐assisting isomerization barrier T (65.52/43.87 kcal · mol^?1). But when adding one water molecule on the HNS, there is another special proton‐transfer isomerization pathway with a transition state 10T′ in which the water is out of the proton transfer loop. The corresponding forward/backward barriers are 65.89/65.89 kcal · mol^?1. Clearly, this process is more difficult to follow than the R–T–P process. For the two‐water‐assisting mechanism, the heat of reaction is 19.61 kcal · mol^?1, and the forward/backward barriers are 32.27/12.66 kcal · mol^?1, decreased by 33.25/31.21 kcal · mol^?1 compared with T. For trihydration and tetrahydration, the forward/backward barriers decrease as 32.00/12.60 (30T) and 37.38/17.26 (40T) kcal · mol^?1, and the heat of reaction decreases by 19.39 and 19.23 kcal · mol^?1, compared with T, respectively. But, when four water molecules are involved in the reactant loop, the corresponding energy aspects increase compared with those of the trihydration. The forward/backward barriers are increased by 5.38 and 4.66 kcal · mol^?1 than the trihydration situation. In the second mode, the outer‐sphere water effect from the other water molecules directly H‐bonded to the loop is considered. When one to three water molecules attach to the looped water in one‐water in‐loop‐assisting proton transfer isomerization, their effects on the three energies are small, and the deviations are not more than 3 kcal · mol^?1 compared with the original monohydration‐assisting case. When adding one or two water molecules on the dihydration‐assisting mechanism, and increasing one water molecule on the trihydration, the corresponding energies also are not obviously changed. The results indicate that the forward/backward barriers for the three in‐loop water‐assisting case are the lowest, and the surrounding water molecules (out‐of‐loop) yield only a small effect. © 2006 Wiley Periodicals, Inc. Int J Quantum Chem, 2006     

ADSORPTION OF 2,4-D ON MODIFIED HYPERCROSSLINKED POLYSTYRENE （NDA-99） AND XAD-4 RESIN

The adsorption behavior of pesticide 2,4-dichlorophenoxyacetic acid (2,4-D) in aqueous solution has been investigated using a hypercrosslinked polystyrene adsorbent (NDA-99) modified by dimethylamine group as well as a nonionic macroporous adsorbent (XAD-4). The Langmuir and Freundlich isotherm models were employed to fit the experimental data to describe adsorption mechanism. It shows that NDA-99 resin exhibits an adsorption affinity for 2,4-D higher than XAD-4 resin owing to its exceptional micropore structure and the amine group of the hypercrosslinked matrix.Further studies indicate that the hydrogen bonding interaction and the stronger π-π conjugation play a significant role in the course of the adsorption of 2,4-D on NDA-99 resin, which is in agreement with the IR spectroscopic results and the △E values of HOMO (the highest occupied molecular orbit) of adsorbent and LUMO (the lowest unoccupied molecular orbit) of adsorbate calculated from the MINDO/3 model.     

The concept of dual roles design in clean organic preparation

Herein we summarized some clean preparation examples to emphasize the concept of dual roles design (or named as “two birds one stone strategy”) in green and sustainable chemistry. In those examples, the reactants and/or solvent play dual roles rendering a cleaner organic preparation process. Consequently, both the chemical waste and manufacturing cost could be reduced.     

聚乙烯吡咯啉酮对稀土变色酸双偶氮类试剂显色反应的褪色作用

研究了非离子型表面活性剂聚乙烯吡咯啉酮（ＰＶＰ）、（ＮＨ４）２ＳＯ４对ＲＥ（Ⅲ）、Ｆｅ（Ⅲ）、Ｚｒ（Ⅳ）、Ｔｈ（Ⅳ）、Ｃｕ（Ⅱ）等离子与变色酸双偶氮类试剂显色反应的影响。建立了大量稀土存在下测定微量Ｆｅ（Ⅲ）的新方法。纯稀土中Ｆｅ（Ⅲ）的测定，回收率在９８．０％～１０１．０％；对矿样测定，６次测定ＲＳＤ为１．７９％。     

Application of nanodiamonds in human body fluid analysis by matrix-assisted laser desorption/ionization mass spectrometry

Direct mass spectrometric analysis of complex biological samples is very important and challenging. In this paper, nanodiamonds have been successfully used in matrix-assisted laser desorption/ionization mass spectrometric analysis of human serum and urine. As a practical tool and platform, it can be widely used in the field of humoral proteomics, and it plays a very promising role in clinical diagnosis, including identification of novel disease-associated biomarkers.     

Influence of the counteranion on silver(I)–dithioether coordination polymers

In order to rationalize the effect of the size and coordinating ability of counteranions upon the structure of Ag(I)–dithioether coordination polymers, a series of such polymers has been synthesized by the combination of the 1,3-bis(methylthio)propane building block and AgX silver salts (X = ClO₄⁻ (1), BF₄⁻ (2), CF₃SO₃⁻ (3), SbF₆⁻ (4), C₆H₅COO⁻ (5), CF₃COO⁻ (6), CF₃CF₂CF₂COO⁻ (7) and ⁻OOCCF₂CF₂COO⁻ (8)). Except in two cases, all complexes form 1D-coordination polymers.     

PARTICIPATION IN INTERNATIONAL ENVIRONMENTAL AGREEMENTS: THE ROLE OF TIMING AND REGULATION

ABSTRACT. We analyze the formation of self‐enforcing international environmental agreements under the assumption that countries announce their participation either simultaneously or sequentially. It is shown that a sequential formation process opens up possibilities for strategic behavior of countries that may lead to inferior outcomes in terms of global abatement and welfare. We then analyze whether and under which conditions a regulator like an international organization, even without enforcement power, can improve upon globally suboptimal outcomes through coordination and moderation, given that recommendations must be Pareto‐improving to all parties.