Path Decomposition of Graphs with Given Path Length

A path decomposition of a graph G is a list of paths such that each edge appears in exactly onepath in the list.G is said to admit a {P_l}-decomposition if G can be decomposed into some copies of P_l,whereP_l is a path of length l-1.Similarly,G is said to admit a {P_l,P_k}=decomposition if G can be decomposed intosome copies of P_l or P_k.An k-cycle,denoted by C_k,is a cycle with k vertices.An odd tree is a tree of which allvertices have odd degree.In this paper,it is shown that a connected graph G admits a {P_3,P_4}-decompositionif and only if G is neither a 3-cycle nor an odd tree.This result includes the related result of Yan,Xu andMutu.Moreover,two polynomial algorithms are given to find {P_3}-decomposition and {P_3,P_4}-decompositionof graphs,respectively.Hence,{P_3}-decomposition problem and {P_3,P_4}-decomposition problem of graphs aresolved completely.     

A theoretical kinetics study on low-temperature oxidation of n-C4H9 radicals

The low-temperature oxidation mechanism of n?butyl radicals (n-C₄H₉) has been investigated by high level quantum chemical calculations coupled with the Rice–Ramsperger–Kassel–Marcus/Master Equation (RRKM/ME) theory. The potential energy surfaces (PES) were explored at the QCISD(T)/CBS//B3LYP/6-311++G(d,p) level. The temperature- and pressure-dependent rate constants were computed and fitted in modified Arrhenius parameters. The major reaction channels were discussed to more deeply understand the competing relationships between chain branching, chain propagation and termination reactions. The results show that the 1,5 H-shift reaction is more competitive than the 1,6 H-shift and 1,4 H-shift for isomerization reactions of n?butyl peroxy radicals, and the concerted HO₂ elimination channel to form butene becomes more important at high temperatures. Furthermore, based on our calculations, a revised kinetic model was developed to describe n-butane oxidation. Good consistency between model predictions and experimental data was shown. This study enhances our understanding of the combustion mechanism of n-butane and can be used as a reliable reference for mechanistic understanding of larger alkanes.     

基于低压补气的变转速冷藏系统的性能研究

针对冷库运行过程中出现的压缩机排气温度高、系统性能衰减等问题,设计并搭建了基于平行流换热器的低压补气冷藏系统实验台对冷藏系统在低压补气和不补气状态下压缩机转速对冷藏系统综合性能的影响进行了分析.结果 表明:随着压缩机转速的增加,两种工况下压缩机排气温度都会增加,在补气模式下排气温度增加了5％,在不补气模式下增加了7.8％;冷藏系统的制冷量也会随之增大,在补气模式下制冷量增加了43％,在不补气模式下增加了25.9％,低压补气模式下增加的制冷量更大一些;压缩机功率随转速的增加而增大,且两种模式下增幅接近,在补气模式下压缩机功率增加了27.44％,在不补气模式下增加了27.34％;另外随着转速的增大系统COP呈现先增大后减小的趋势,在转速为3500 r/min处趋于稳定.     

Enhanced electron transfer ability <Emphasis Type="Italic">via</Emphasis> coordination in block copolymer/porphyrin/fullerene micelle

Inspired by structures of antenna-reaction centers in photosynthesis, the complex micelle was prepared from zinc tetra-phenyl porphyrin (ZnTPP), fullerene derivative (PyC₆₀) and poly(ethylene glycol)-block-poly(ε-caprolactone) (PEG-b-PCL). The core-shell structure made the hydrophobic donor-acceptor system work in aqueous. In micellar core, coordination interaction occurred between ZnTPP and PyC₆₀ molecules which ensured the enhanced energy migration from the donor to the acceptor. The enhanced interaction between porphyrin and fullerene was confirmed by absorption, steady-state fluorescence and transient fluorescence. The generation of singlet oxygen and superoxide radical was detected by iodide method and reduction of nitro blue tetrazolium, respectively, which confirmed that electron transfer reaction in the complex micellar core occurred. Moreover, the complex micelle exhibited effective electron transfer performance in photodebromination of 2,3-dibromo-3-phenylpropionic acid. The complex micellar structure endowed the donor-acceptor system with improved stability under irradiation. This strategy could be helpful for designing new electron transfer platform and artificial photosynthetic system.     

大雷诺数线性剪切流绕圆柱的分离流动

本文采用离散涡方法计算了大雷诺数下线性剪切流绕圆柱的分离流动,计算结果给出阻力系数、横向力系数、边界层分离点、斯特罗哈数及尾流中旋涡的分布图案,计算数据与已有的实验数据相吻合。     

碳四液化气在离子浸渍改性纳米HZSM-5沸石上的转化反应研究

在小型常压固定床反应器中研究了不同离子浸渍改性对纳米ZSM-5固体酸催化剂上丁烷和丁烯转化的影响.结果表明,混和碳四中异丁烷比正丁烷易转化,丁烯异构体的转化与其在原料中的含量有关.在贫烯烃原料中,丁烯倾向于生成.在富丁烯原料中,丁烯倾向于转化.但在两种情况下,产物中各丁烯含量大体上按异丁烯、顺反-丁烯-2和丁烯-1顺序递减.采用锌离子改性时异丁烷转化率提高、正丁烷转化率降低.锌离子改性有利于芳烃选择性,但是副产物甲烷和乙烷的产率也较高;铁离子改性对丁烷和丁烯的转化影响不大,但能减少甲烷和乙烷的生成,并提高芳烃选择性;与锌改性相比,锌钠双离子改性降低了异丁烷、正丁烷和丁烯-1的转化率,减少了芳烃产率,但能明显促进丙烯和丁烯的生成.上述结果为碳四液化气综合利用提供了有益信息.     

Ionic Liquid‐Hemoglobin‐Carbon Paste Composite Bioelectrode and Its Electrocatalytic Activity

A new carbon ionic liquid paste bioelectrode was fabricated by mixing hemoglobin (Hb) with graphite powder, ionic liquid 1‐ethyl‐3‐methylimidazolium tetrafluoroborate (EMIMBF₄) and liquid paraffin homogeneously. Nafion film was cast on the electrode surface to improve the stability of bioelectrode. Direct electrochemistry of Hb in the bioelectrode was carefully investigated. Cyclic voltammetric results indicated that a pair of well‐defined and quasi‐reversible electrochemical responses appeared in pH 7.0 phosphate buffer solution (PBS), indicating that direct electron transfer of Hb was realized in the modified electrode. The formal potential (E^0′) was calculated as ?0.316 V (vs. SCE), which was the typical characteristic of the electrochemical reaction of heme Fe(III)/Fe(II) redox couple. Based on the cyclic voltammetric results the electrochemical parameters of the electrode reaction were calculated. This bioelectrode showed high electrocatalytic activity towards the reduction of trichloroacetic acid (TCA) with good stability and reproducibility.     

Unraveling the Pressure Effect on Nucleation Processes of Amyloidogenic Proteins

The influence of pressure on the nucleation rate of insulin under fibril‐forming conditions was studied and subsequently analysed using classical nucleation theory. The aim was a better understanding and quantification of the influence of pressure on protein aggregation/fibrillation reactions. The application of pressure has a drastic accelerating effect on the nucleation and growth process of insulin fibrils. We show that this effect arises from a volume decrease upon nucleus formation, due to formation of a less hydrated and more compact transition state that can be quantified extending nucleation theory by a pressure–volume term. Conversely, the absolute values of the lag time and the critical size of the nucleus cannot be satisfactorily described by the classical nucleation theory, which might be due to the presence of secondary effects, such as parallel aggregation pathways or fragmentation processes.     

Concise synthesis of the oxapentacyclic core of cortistatin A

A concise synthetic approach for constructing the oxapentacyclic framework of cortistatin A is described. The synthesis features a furan-oxyallyl [4 + 3] cycloaddition and double-intramolecular aldol reactions. In addition, an interesting core structure was obtained in 11 steps from furan by using our method.     

On the analogy of B-BO and B-Au chemical bonding in B11O- and B10Au- clusters

During photoelectron spectroscopy experiments, the spectra of B(11)O(-) and B(10)Au(-) clusters are found to exhibit similar patterns except for a systematic spectral shift of ～0.5 eV, hinting that they possess similar geometric structures. The electron affinities are measured to be 4.02 ± 0.04 eV for B(11)O and 3.55 ± 0.02 eV for B(10)Au. DFT calculations at the B3LYP level show that B(11)O(-) and B(10)Au(-) adopt similar C(1) ((1)A) ground states, which are based on the quasiplanar B(10) cluster interacting with a BO unit and Au, respectively. The B(11)O(-) and B(10)Au(-) clusters are thus valent isoelectronic because both BO and Au can be viewed as monovalent units, forming highly covalent B-BO and B-Au bonds analogous to the B-H bond in B(10)H(-). For B(10)Au(-), we also find a highly symmetric D(10h) ((1)A(1g)) planar molecular wheel as a minimum on the potential energy surface. However, it is 45 kcal/mol above the ground state at the B3LYP level and not viable for experimental observation. Natural bond orbital analyses reveal interesting covalent versus ionic B-Au bonding in the C(1) B(10)Au(-) and D(10h) B(10)Au(-) structures, respectively, providing insight for the design of D(nh) MB(n) molecular wheels.