Cu／ZnO催化剂上逆向水煤气变换反应反应机理的Monte Carlo模拟

采用Ｍｏｎｔｅ Ｃａｒｌｏ方法模拟了ＣＯ２在Ｕ／ＺｎＯ催化剂上的解离反应，发现在ＣＯ２的解离过程中只有ＣＯ生成；若用Ｈ２对生成的表面吸附氧进行还原，所生成的Ｈ２Ｏ量与前期生成的ＣＯ量相同，说明在Ｃｕ／ＺｎＯ上ＣＯ２和Ｈ２之间发生了化学计量的氧化还原反应，即逆向水煤气反应可能以表面氧化还原反应机理进行。     

Light-harvesting and photoisomerization in benzophenone and norbornadiene-labeled poly(aryl ether) dendrimers via intramolecular triplet energy transfer

A series of benzophenone (BP) and norbornadiene (NBD)-labeled poly(aryl ether) dendrimers (Gn-NBD), generations 1-4, were synthesized, and their photophysical and photochemical properties were examined. The phosphorescence of the peripheral BP (donor) chromophore was efficiently quenched by the NBD (acceptor) group attached to the focal point. Time-resolved spectroscopic measurements indicated that the lifetime of the triplet state of the BP chromophore was shortened due to the proximity of the NBD group. Selective excitation of the BP chromophore resulted in isomerization of the NBD group to quadricyclane (QC). All of these observations suggest that an intramolecular triplet energy transfer occurs in Gn-NBD molecules. The light-harvesting ability of these molecules increases with generation due to an increase in the number of peripheral chromophores. The energy transfer efficiencies are ca. 0.97, 0.54, 0.45, and 0.37 for generations 1-4, respectively, and the rate constant of the triplet-triplet energy transfer is ca. 10(6)-10(7) s(-1), which decreases inconspicuously with increasing generation. The intramolecular triplet energy transfer is proposed to proceed mainly via a through-space mechanism involving the closest donor (folding back conformation) and acceptor groups.     

Geometry and analysis of spin equations

We introduce W‐spin structures on a Riemann surface Σ and give a precise definition to the corresponding W‐spin equations for any quasi‐homogeneous polynomial W. Then we construct examples of nonzero solutions of spin equations in the presence of Ramond marked points. The main result of the paper is a compactness theorem for the moduli space of the solutions of W‐spin equations when W = W(x₁, …, x_t) is a nondegenerate, quasi‐homogeneous polynomial with fractional degrees (or weights) q_i < ½ for all i. In particular, the compactness theorem holds for the superpotentials E₆, E₇, E₈ or A_{n ? 1}, D_{n + 1} for n ≥ 3. © 2008 Wiley Periodicals, Inc.     

Synthesis and aggregation behavior of chitooligosaccharide‐based biodegradable graft copolymers

A series of novel “jellyfish‐like” graft copolymers with chitooligosaccharide (COS) as shorter backbone and poly(ε‐caprolactone) as longer branches were synthesized using ring‐opening polymerization of ε‐caprolactone via a protection‐polymerization‐deprotection procedure with trimethylsilylchitooligosaccharide as intermediate and triethylaluminum as catalyst precursor. The obtained chitooligosaccharide‐graft‐poly(ε‐caprolactone) polymers possess amphiphilic structure with hydrophilic COS backbone and hydrophobic polycaprolactone branches. Because of this unique “jellyfish‐like” structure, these graft copolymers could self‐assemble to form various morphologies of aggregates in a mixture solution of water and tetrahydrofuran. The transmission electron microscopy studies revealed that the formed aggregates exhibited necklace‐like, flower‐like onion vesicle, and tubular morphologies. It is found that the hydrogen‐bonding formed by the hydroxyl and amino groups remained on the COS backbone played an important role during the aggregation of these graft copolymers, and their morphologies were changed with the varying length of poly (ε‐caprolactone) branches, the concentration of the graft copolymer, and the self‐assembly process. © 2008 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem 46: 4889–4904, 2008     

Rapid and Sensitive UPLC-MS–MS for the Determination of Trimetazidine in Human Plasma

A specific and sensitive UPLC-MS–MS was developed for the determination of trimetazidine in human plasma. The sample preparation was based on a single-step liquid–liquid extraction with acetic ether. The chromatographic separation was on a C₁₈ analytical column (50 mm × 2.1 mm, 1.7 μm) with acetonitrile and 10 mM ammonium acetate (30:70, v/v) as the mobile phase, and a triple-quadrupole mass spectrometer equipped with an electrospray ionization source (ESI) applied for detection. The method was linear over the concentration ranges of 0.25–100.00 ng mL⁻¹ for trimetazidine, and the lower limit of quantification (LLOQ) was 0.25 ng mL⁻¹. The intra- and inter-day relative standard deviation (RSD) were less than 15% and the relative error (RE) were all within 15%. Finally, this method has been successfully applied to analyze plasma samples from a bioequivalence study with 18 volunteers.

     

A container yard storage strategy for improving land utilization and operation efficiency in a transshipment hub port

This paper studies the storage yard management problem in a busy transshipment hub, where intense loading and unloading activities have to be considered at the same time. The need to handle huge volumes of container traffic and the scarcity of land in the container port area pose serious challenges for the port operator to provide efficient services. A consignment strategy with a static yard template has been used to reduce the level of reshuffles in the yard, but it sacrifices on land utilization because of exclusive storage space reservation. Two space-sharing approaches are proposed to improve on the land utilization through dynamic reservation of storage space for different vessels during different shifts. Meanwhile, workload assignment among reserved spaces will also satisfy the high-low workload balancing protocol to reduce traffic congestion in the yard. A framework which integrates space reservation and workload assignment is proposed. Experimental results show that the framework is able to provide solutions for containers handling within much less storage space, while guarantee the least yard crane deployment.     

MONTE CARLO SIMULATION OF THE SURFACE REDOX MECHANISM OF WATER GAS SHIFT REACTION I. CONVERSION OF ADSORBED OH TO OXYGEN ADATOM

The surface redox mechanism of water gas shift reaction was explored by Monte Carlo simulation. The surface modeling with the consideration of experimental results reveals that the conversion of OH* to O* takes place primarily via an elementary step of the dissociation of OH* into O* and H*.     

城轨列车辅助逆变器大功率器件开路故障诊断

随着LTE技术的不断发展,军事通信领域的通信终端产品也需要更新、升级。通信终端模块（CTM,Communication Transmission Module）是一款嵌入式的TD-LTE数据卡终端产品。AT指令模块用来实现CTM与PC机之间的数据传输与控制。提出了CTM中AT指令模块的软件设计方案,采用模块化的设计方法,统一上层应用接口,实现了应用程序与Nucleus平台的衔接,提高了应用程序的可移植性;AT指令的函数匹配处理流程采用分类查找法,简化了AT指令的查找过程,提高了查找效率。最后搭建测试环境,验证了AT指令模块的功能,以上方法在实际开发和应用中都具有良好的扩展性、通用性和可移植性。     

Unsurpassed cage effect for the photolysis of dibenzyl ketones in water-soluble dendrimers

Amphiphilic water-soluble poly(alkyl aryl ether) dendrimers Gn (n = 1-3) with charge-neutral tetraethylene glycol monomethyl ethers at their periphery were synthesized as microreactors to control the photochemical reactions of dibenzyl ketone derivatives in aqueous solutions. Photophysical studies demonstrated that Gn can encapsulate organic molecules and provide a hydrophobic microenvironment. The product distribution of photolysis of dibenzyl ketone derivatives can be successfully controlled by encapsulating the substrates within dendrimers, and an unsurpassed cage effect of 1.00 is reached in high generation dendrimers, revealing that a thick and compact "shell" was formed at the periphery of the dendrimers. The cage effect is also significantly influenced by the substituent at the para-position of the guest molecules. The higher generation dendrimers exhibit a better confined microenvironment and the aggregates possess more compact cavities to "lock" the guests than the corresponding unimolecular dendrimers. After photolysis, the separation of products can be easily achieved by extracting from the dendrimer solutions and the dendrimers are simply recovered and reused.