豫南大别山区不同海拔高度茶树主要品质成分变化

采用生化分析和高效液相色谱法,分析了豫南大别山区不同海拔高度茶树的主要成分。结果表明,其主要品质成分的含量为:水浸出物44.52%~46.99%(质量分数,以下同),茶多酚25.49%~30.03%,儿茶素208.49~234.18mg·g-1,氨基酸3.86%~4.81%,可溶性糖4.61%~5.22%,叶绿素1.26~1.98mg·g-1,咖啡碱3.11%~3.72%。综合分析,随海拔高度的升高,茶叶品质逐渐提升,海拔700m处的茶叶品质最佳。     

基于6LoWPAN６的PRL路由协议研究

鲁迅对日本文化和日本国民性的关注更多的是从中国国民性批判的角度来进行的,他的日本认识包含两个层面:一是作为国民性改造过程中的一个参照物的日本,他过多地强调日本民族的优点而少谈日本民族的缺点,就在于他是以日本民族的优点作为救治本民族缺点的"药",日本民族的优点的选择是出于本民族现实需要的目的;二是作为独立民族文化的日本,他摆脱了中日冲突背景下的激进和狭隘的民族主义,以冷静的态度进行中日文化的交流,以期促成民族间的理解和友好。     

FEW: A workflow tool for free energy calculations of ligand binding

In the later stages of drug design projects, accurately predicting relative binding affinities of chemically similar compounds to a biomolecular target is of utmost importance for making decisions based on the ranking of such compounds. So far, the extensive application of binding free energy approaches has been hampered by the complex and time‐consuming setup of such calculations. We introduce the free energy workflow (FEW) tool that facilitates setup and execution of binding free energy calculations with the AMBER suite for multiple ligands. FEW allows performing free energy calculations according to the implicit solvent molecular mechanics (MM‐PB(GB)SA), the linear interaction energy, and the thermodynamic integration approaches. We describe the tool's architecture and functionality and demonstrate in a show case study on Factor Xa inhibitors that the time needed for the preparation and analysis of free energy calculations is considerably reduced with FEW compared to a fully manual procedure. © 2013 Wiley Periodicals, Inc.     

Antibacterial and Antifungal Activities—Surface Active Properties Relation of Novel Dischiff Base Cationic Gemini Amphiphiles Bearing Homogeneous Hydrophobes

A novel series of cationic Gemini amphiphiles containing Dischiff base species were synthesized and their chemical structures were determined using different analytical tools. Their surface properties were determined using surface tension measurements. The adsorption and micellization thermodynamic parameters were calculated using Gibb's equations at 25°C. The surface parameters were also determined including critical micelle concentration, effectiveness, efficiency, maximum surface excess, minimum surface area, interfacial tension, and emulsification power. The synthesized cationic Gemini surfactants were evaluated as bactericides for gram negative and gram positive bacteria and also against sulfur reducing bacteria (SRB). The results of the cytotoxicity of the synthesized compounds against the targeted bacterial strains were promising and completely dependent on the surface activity of these compounds.     

Pairwise decomposition of an MMGBSA energy function for computational protein design

Computational protein design (CPD) aims at predicting new proteins or modifying existing ones. The computational challenge is huge as it requires exploring an enormous sequence and conformation space. The difficulty can be reduced by considering a fixed backbone and a discrete set of sidechain conformations. Another common strategy consists in precalculating a pairwise energy matrix, from which the energy of any sequence/conformation can be quickly obtained. In this work, we examine the pairwise decomposition of protein MMGBSA energy functions from a general theoretical perspective, and an implementation proposed earlier for CPD. It includes a Generalized Born term, whose many‐body character is overcome using an effective dielectric environment, and a Surface Area term, for which we present an improved pairwise decomposition. A detailed evaluation of the error introduced by the decomposition on the different energy components is performed. We show that the error remains reasonable, compared to other uncertainties. © 2014 Wiley Periodicals, Inc.     

Nanocast mesoporous mixed metal oxides for catalytic applications

Since the initial discovery of ordered mesoporous silica in early 1990s, considerable innovations were achieved regarding their synthesis, characterization and applications. One of the best outcomes of these intense research efforts is the development of a solid templating method called “nanocasting”, which is based on using mesoporous silica (or carbon) as a rigid template. This solid-to-solid replication method opened the pathway for synthesizing high surface area non-silica mesostructured materials that are challenging to obtain through conventional self-assembly processes which are based on amphiphilic soft structure-directing agents. In particular, the replicated metal oxide mesostructures obtained by this method were found to be highly versatile for a wide range of applications, especially in catalysis, owing to their large specific surface area. Furthermore, the nanocasting method is particularly suited for the synthesis of mixed metal compositions, favored by the possible confinement of mixed precursors in the nanopores of the template. In this account, we discuss some of the recent developments regarding the synthesis of nanocast mixed metal oxides and their perspectives of catalytic applications. It is here the choice of the authors to place emphasis on a few representative examples of compositions (e.g., non-noble metal-based catalysts, perovskites) and catalytic reactions (e.g., hydrogen production, gas-phase oxidation).     

基于絮凝沉砂的立式砂仓面积最佳计算模式

为探究全尾砂絮凝沉降条件下立式砂仓面积最佳计算模式,根据最理想沉砂条件和不同沉砂特点,从3种计算模式中确定出结果误差最小者.以某铅锌矿为例,进行细粒级全尾砂絮凝沉降试验,回归分析得到最佳沉砂条件下的沉降曲线,依此从3个角度分析立式砂仓面积计算模式的可靠度.最佳絮凝条件:相对分子量为8×106的阴离子聚丙烯酰胺(APAM),入料砂浆体积分数为7.80%,对应的絮凝剂单耗为17.66 g·t-1.最佳立式砂仓面积为36.06 m2,托麦吉-菲契图解计算模式所得结果与其贴近度达97.04%.     

中国南方海相页岩气有利目标区优选的模糊相似法

有利目标区优选是页岩气勘探开发的前提.根据中国南方海相页岩气成藏特点,筛选了页岩有效厚度、有机碳含量、孔隙度等13项页岩气有利目标区优选评价指标,并且结合国内外页岩气勘探开发经验,建立了评价指标的分级分类评价标准.针对页岩气储层的厚度大、非均质性以及勘探早期对评价指标值的地质认识准确度较低,用区间数距离体现页岩气有利目标区优选的不确定信息评价指标值差异,应用模糊相似理论,建立了页岩气有利目标区优选的分级、分类并能区分优劣的模糊相似方法.实例计算分析结果表明,该方法与综合信息叠合法相比,评价结果可靠程度高,而且能判明被评价页岩气区的有利类型和优劣顺序.     

下扬子地区海相地层构造演化特征与海相保存单元评价

下扬子地区油气宏观保存条件地区差异性明显.为了更好地评价有利单元,通过多条南北向构造地震、野外露头剖面解释,对海相中生界、古生界构造进行区划,对各构造单元的变形特征和强弱进行解析.结合钻井资料,综合分析认为下扬子地区经历了3期强烈构造叠加改造影响:印支期-早燕山期(Ts-J1-2)江南雪峰由南往北的基底拆离推覆和大别山由北往南上冲推覆构造;燕山期(J3-K1)的走滑构造;晚燕山—喜马拉雅期(K2-E-N)的伸展构造.下扬子海相油气有利保存单元存在于2类地区:一是在印支—早燕山期改造变形程度较弱、保存完好的志留系盖层分布区(滑脱层),它们是原生型油气的有利保存单元;二是在晚燕山—喜马拉雅期重建的白垩系盖层分布区,它们是次生型油气的有利保存单元.对不同构造单元综合分析,认为泰州东台对冲向斜带和海域的崂山—五莲对冲带是原生型油气的有利保存单元,射阳推覆带是次生型油气保存的有利单元.     

西南山地历史文化名镇迁建空间品质营建研究——以重庆龚滩古镇迁建为例

西南山地历史文化名镇迁建工程面临山水格局难续,场所精神改变,古镇活力重塑,设计与建设质量堪忧等问题,该研究以重庆龚滩古镇为例,通过迁建前后多维度多层次对比,解析其空间品质营建策略,从传承空间特色、重塑空间活力、有序最优营造三方面总结经验,以期对未来西南山地古镇迁建工程提供指导。