城市交通管理中的出租车规划模型

最佳数量的确定和价格的制定是城市出租车规划中的两个核心问题.对影响出行强度的市区人口和建成区面积分析建立了出行总量预测模型,再通过分析出租车最佳数量与出租车运营里程的关系,得出出租车最佳数量的预测模型.在出租车最佳数量模型的基础上,分析出租车数量的差异和差异产生的原因,给出了出租车定价判断模型,为出租车定价机制的调整指明了方向.最后以长沙市为例进行了实证分析.     

Synthesis and characterization of a series of 2‐aminopyridine nickel(II) complexes and their catalytic properties toward ethylene polymerization

A series of 2‐aminopyridine Ni(II) complexes bearing different substituent groups {(2‐PyCH₂NAr)NiBr, Ar = 2,4,6‐trimethylphenyl ( 3a) , 2,6‐dichlorophenyl ( 3b ), 2,6‐dimethylphenyl ( 3c) , 2,6‐diisopropylphenyl ( 3d ), 2,6‐difluorophenyl ( 3e ); (2‐PyCH₂NHAr)₂NiBr₂, Ar = 2,6‐diisopropylphenyl ( 4a )} have been synthesized and investigated as precatalysts for ethylene polymerization in the presence of methylaluminoxane (MAO). High molecular weight branched polymers as well as short‐chain oligomers were simultaneously produced with these complexes. Enhancing the steric bulk of the ortho‐aryl‐substituents of the catalyst resulted in higher ratio of solid polymer to oligomer and higher molecular weight of the polymer. With ortho‐haloid‐substitution, the catalysts afforded a product with low polymer/oligomer ratio ( 3b ) and even only oligomers ( 3e ) in which C₁₄H₂₈ had the maximum content. Compared with complex 3d containing ionic ligand, complex 4a containing neutral ligand exhibited obviously low catalytic activity for ethylene polymerization. The molecular weight, molecular weight distribution, and microstructure of the resulted polymer were characterized by gel permeation chromatography and ¹³C NMR spectrogram. © 2008 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem 46: 1618–1628, 2008     

Schiff碱作为桥配体的双核钌化合物的合成与性质

合成并表征了3个Schiff碱配体及由其桥联的3个双核钌配合物,并通过核磁共振谱、红外光谱、质谱及元素分析等测试手段对配体及化合物进行了表征.电化学测试结果表明,在3个双核配合物中存在着分子内的金属-金属间相互作用,且连接两个金属的桥配体是影响金属间相互作用强弱的关键因素.     

Damage and fracture prediction of plastic-bonded explosive by digital image correlation processing

By digital correlation processing of Scanning electronic microscopy (SEM) images, the paper presents the deformation and damage analysis of an energetic material—the plastic-bonded explosive (PBX) on mesoscopic scale. The analysis is made by observing the deformation field resulted from the digital image correlation (DIC) processing of the images corresponding to the loading steps and comparing with the surface profiles of the composite material so as to visualize the matter damage near a preset crack. The results show that the local deformation disturbance can reveal the material damage even happened underneath the specimen surface. The strain distribution in the front of the preset crack, can be used to predict the propagating route of the microcrack initiated from the tip of the pre-crack, which is related to the splitting fracture of the granular-based composite under compressive loading.     

Photochemical degradation of environmentally persistent perfluorooctanoic acid （PFOA） in the presence of Fe（Ⅲ）

Environmentally persistent and bioaccumulative perfluorooctanic acid （PFOA） was difficult to be decomposed under the irradiation of 254 nm UV light. However, in the presence of 80μmol/L Fe（Ⅲ）, 80% of PFOA with initial concentration of 48μmol/L （20 mg/L） was effectively degraded and 47.8% of fluorine atoms in PFOA molecule were transformed into inorganic fluoride ion after 4 h reaction. Shorter chain perfluorocarboxylic acids bearing C3-C7 and fluoride ion were detected and identified by LC/MS and IC as the degradation products in the aqueous solution. It was proposed that complexes of PFOA with Fe（Ⅲ） initiated degradation of PFOA irradiated with 254 nm UV light.     

Synthesis and biological evaluation of a new series of histone deacetylases inhibitors

Histone deacetylases （HDACs） play an important role in tumorigenesis. Inhibition of HDACs is considered as a potent strategy for cancer therapy. Two lead compounds （ja and jb） were found to have activities against HDACs with IC50 at about 15 μmol/L. Then a new series of hydroximic acid derivatives were designed and synthesized based on them. The HDACs activity assay in vitro found that compounds J04 and ,109 are nearly as potent as the positive control drug Zolinza.     

Trace mild acid-catalysed Z → E isomerization of norbornene-fused stilbene derivatives: intelligent chiral molecular photoswitches with controllable self-recovery

Stilbene derivatives have long been known to undergo “acid-catalyzed” Z → E isomerization, where a strong mineral acid at high concentration is practically necessary. Such severe reaction conditions often cause undesired by-reactions and limit their potential application. Herein, we present a trace mild acid-catalyzed Z → E isomerization found with stilbene derivatives fused with a norbornene moiety. By-reactions, such as the migration of the C C double bond and electrophilic addition reactions, were completely inhibited because of the ring strain caused by the fused norbornene component. Direct photolysis of the E isomers at selected wavelengths led to the E → Z photoisomerization of these stilbene derivatives and thus constituted a unique class of molecular switches orthogonally controllable by light and acid. The catalytic amount of acid could be readily removed, and the Z → E isomerization could be controlled by turning on/off the irradiation of a photoacid, which allowed repeated isomerization in a non-invasive manner. Moreover, the Z isomer produced by photoisomerization could spontaneously self-recover to the E isomer in the presence of a catalytic amount of acid. The kinetics of Z → E isomerization were adjustable by manipulating catalytic factors and, therefore, unprecedented molecular photoswitches with adjustable self-recovery were realized.

Quantitative Z → E isomerization was catalyzed by trace mild acids to offer molecular switches orthogonally controllable by acid and light.     

Edge disjoint cycles in graphs

Ore proved in 1960 that if G is a graph of order n and the sum of the degrees of any pair of nonadjacent vertices is at least n, then G has a hamiltonian cycle. In 1986, Li Hao and Zhu Yongjin showed that if n ? 20 and the minimum degree δ is at least 5, then the graph G above contains at least two edge disjoint hamiltonian cycles. The result of this paper is that if n ? 2δ², then for any 3 ? l₁ ? l₂ ? ? ? l_k ? n, 1 = k = [(δ - 1)/2], such graph has K edge disjoint cycles with lengths l₁, l₂…l_k, respectively. In particular, when l₁ = l₂ = ? = l_k = n and k = [(δ - 1)/2], the graph contains [(δ - 1)/2] edge disjoint hamiltonian cycles.