The lifetime of CFC substitutes studied by a network trained with chaotic mapping modified genetic algorithm and DFT calculations

The hydrohaloalkanes have attracted much attention as potential substitutes of chlorofluorocarbons (CFCs) that deplete the ozone layer and lead to great high global warming. Having a short atmospheric lifetime is very important for the potential substitutes that may also induce ozone depletion and yield high global warming gases to be put in use. Quantitative structure–activity relationship (QSAR) studies were presented for their lifetimes aided by the quantum chemistry parameters including net charges, Mulliken overlaps, E _HOMO and E _LUMO based on the density functional theory (DFT) at B3PW91 level, and the C-H bond dissociation energy based on AM1 calculations. Outstanding features of the logistic mapping, a simple chaotic system, especially the inherent ability to search the space of interest exhaustively have been utilized. The chaotic mapping aided genetic algorithm artificial neural network training scheme (CGANN) showed better performance than the conventional genetic algorithm ANN training when the structure of the data set was not favorable. The lifetimes of HFCs and HCs appeared to be greatly dependent on their energies of the highest occupied molecular orbitals. The perference of the RMSRE comparing to RMSE as objective function of ANN training was better for the samples of interest with relatively short lifetimes. C₂H₆ and C₃H₈ as potential green substitutes of CFCs present relatively short lifetimes.     

Hybrid inorganic–organic poly(carborane‐siloxane‐arylacetylene) structural isomers with in‐chain aromatics: Synthesis and properties

Structural isomers of thermo‐oxidatively stable poly(carborane‐siloxane‐arylacetylene) (PCSAA), namely, m‐PCSAA and p‐PCSAA, were synthesized by the reaction of the dimagnesium salts of m‐diethynylbenzene or p‐diethynylbenzene with 1,7‐bis(chlorotetramethyldisiloxyl)‐m‐carborane. The developed polymers have exceptional thermo‐oxidative properties similar to their diacetylene counterpart poly(carborane‐siloxane‐acetylene), PCSA. Thermal treatment of either of the PCSAAs results in a fully crosslinked thermoset by 500 °C resulting from the cycloaddition reactions involving the acetylene and aryl functionalities and subsequent formation of bridging disilylmethylene entities as discerned from Fourier transform infrared, ¹³C and ²⁹Si solid‐state NMR, and XPS studies. X‐ray diffraction analysis revealed that the thermosets obtained from p‐PCSAA possess enhanced crystallinity when compared to that obtained from m‐PCSAA possibly due to more efficient packing interactions of the p‐diethynylbenzene groups during thermoset formation. The presence of the aryl groups in the backbone of the PCSAAs' chains appeared to have enhanced the storage and bulk moduli of their thermosets when compared to the thermoset of PCSA. Dielectric studies of m‐PCSAA and p‐PCSAA revealed segmental relaxation peaks, α, above their glass transition temperatures with p‐PCSAA exhibiting a broader peak with a slower relaxation rate than m‐PCSAA. © 2013 Wiley Periodicals, Inc.^? J. Polym. Sci., Part A: Polym. Chem. 2013, 51, 2638–2650     

Chain transfer agents in cationic photopolymerization of a bis‐cycloaliphatic epoxide monomer: Kinetic and physical property effects

The effects of chain transfer agents (CTA) on cationic ring‐opening polymerization of 3,4‐epoxycyclohexylmethyl‐3′,4′‐epoxycyclohexane carboxylate (EEC) were explored. EEC was polymerized in the presence of various CTAs, and epoxide conversions monitored via Raman spectroscopy. Polymer films were prepared and analyzed by dynamic mechanical analysis. Many of the organic alcohols studied greatly enhanced epoxide polymerization rates and conversion levels. The gel fraction of polymer specimens decreased rapidly with increasing amounts of octanol (gel fraction >90% up to 0.3 equiv OH) but remained high with increasing amounts of 1,2‐propanediol (gel fraction >90% up to 0.6 equiv OH). Increasing the size of primary alcohols had little effect on the polymerization rates and conversions. The polymerization rate decreased with increasing alcohol substitution (1°>2°>3°). Acidic alcohols had very low impact on conversion and polymerization rates relative to the neat epoxy resin. The glass transition temperature was inversely related to the size and amount of CTA. © 2013 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem, 2013     

浅议图书馆读者服务创新

在网络时代,图书馆服务必须在内部结构、管理模式、服务模式等方面进行一系列变革与创新,才能满足读者日益增长的借阅需求,提供高质量的图书馆服务。     

PBNA： An Improved Probabilistic Biological Network Alignment Method

Biological network alignment is an important research topic in the field of bioinformatics. Nowadays almost every existing alignment method is designed to solve the deterministic biological network alignment problem.However, it is worth noting that interactions in biological networks, like many other processes in the biological realm,are probabilistic events. Therefore, more accurate and better results can be obtained if biological networks are characterized by probabilistic graphs. This probabilistic information, however, increases difficulties in analyzing networks and only few methods can handle the probabilistic information. Therefore, in this paper, an improved Probabilistic Biological Network Alignment（PBNA） is proposed. Based on Iso Rank, PBNA is able to use the probabilistic information. Furthermore, PBNA takes advantages of Contributor and Probability Generating Function（PGF） to improve the accuracy of node similarity value and reduce the computational complexity of random variables in similarity matrix. Experimental results on dataset of the Protein-Protein Interaction（PPI） networks provided by Todor demonstrate that PBNA can produce some alignment results that ignored by the deterministic methods, and produce more biologically meaningful alignment results than Iso Rank does in most of the cases based on the Gene Ontology Consistency（GOC） measure. Compared with Prob method, which is designed exactly to solve the probabilistic alignment problem, PBNA can obtain more biologically meaningful mappings in less time.     

保持中度生长势成为建筑外表面绿化的选择策略

针对建筑外表面绿化的特殊性提出了中度生长势概念,分析了生长势和绿化寿命的影响因素并提出了概念模型,进一步结合实验探讨了中度生长势的判定.研究结果将补充和丰富城市特殊生境绿化条件下的植物栽培养护理念,为实现节约、可持续的栽培养护模式,延长绿化生命周期提供指导.     

海堤渗压神经网络分布模型的建立及规律分析

为有效揭示海堤渗压的分布特征,掌握其在临海工作环境下的特殊规律,在利用神经网络建模优点的同时,采用多测点渗压监控信息,并将测点坐标因素加入到输入层,综合前期潮位因子、积分型降雨因子、时效因子,形成海堤渗压神经网络安全监控分布模型结构,以实测信息进行建模训练计算;在获得合理训练结果基础上,根据输入层因子补充插入坐标样本,获得不同位置的渗压模型值及渗压分布曲线.文中以广义回归神经网络为例,结合浦东海堤实测资料,以实例说明以上述方法在神经网络不提供显式的情况下,建立可获得分布曲线的监控模型,并以此对海堤渗压分布规律特色加以分析.     

并联式混合动力发动机神经网络法转矩预测与闭环控制

利用实际发动机的标定数据搭建了GT-Suite及Matlab/Simulink联合仿真模型，建立了基于进气和发动机状态参数的预测转矩反馈协同控制模块。对比了ANN法和现有发动机的标定脉谱插值预测（MAP）法2种方法下发动机稳态及瞬态转矩变化、升降挡等工况预测的结果误差，结果表明：稳态工况下MAP法较为可靠，低、中、高3种发动机转速下转矩预测波动小，误差比ANN法低1.31%、1.09%和1.52%；实际瞬态转矩跃变及阶跃工况下，ANN法较MAP法误差低5.62%和1.32%，升降挡工况下低1.93%和0.84%。     

网络环境下以能力培养为导向的经管类实验教学方法改革研究

网络技术的广泛运用丰富了高校经管类实验教学的手段,使实验教学突破了时空局限,大大拓展了人才培养的空间,但同时也给传统的实验教学带来很多负面的影响。在分析当前我国高校经管类实验教学存在问题的基础上,指出我国高校应以能力培养为导向,充分利用实验教学平台网络化的条件,对实验教学的内容、实验过程、实验评价等方面进行优化设计,形成以能力为导向的实验教学模式。     

对合法有序语境下的网络监督思考

网络监督是以网民为主体,以互联网为平台,通过网络技术和各种网络形式对公共权力进行监督的方式。它需要加强网络系统的建设,建立部门齐全的法律相互协作,并协调网络政治参与和网络有序发展的关系,只有这样,才能提高网民的网络监督意识与能力。