Reproducibility of retention indices measurement of alkylbenzenes on crosslinked methyl silicone phase fused silica capillaries

Summary Reproducibility of the Kovats retention indices of alkylbenzenes was studied on conventional “PONA” fused-silica capillary columns coated with crosslinked dimethyl silicone phase, with a film thickness of 0.5 μm. The data were compared with those obtained on conventional OV-101 columns. The tested PONA columns showed reproducible chromatographic properties, capacity ratios and high efficiencies. Having a standard deviation of s=0.03 i.u. of the retention indices on a single column, the column-to-columns differences were found to be up to 0.3 i.u. Higher indices were determined for crosslinked columns, the difference being in most cases about one i.u.     

RATE OF INTRA-MOLECULAR CONTACT FORMATION IN SHORT TWO-DIMENSIONAL COMPACT POLYMERS CHAINS

It is important to know the rate of intra-molecular contact formation in proteins in order to understand how proteins fold clearly. Here we investigate the rate of intra-molecular contact formation in short two-dimensional compact polymer chains by calculating the probability distribution p(r) of end-to-end distance r using the enumeration calculation method and HP model on two-dimensional square lattice. The probability distribution of end-to-end distance p(r) of short two-dimensional compact polymers chains may consist of two parts, i.e. p(r) = p1(r) p2(r), where p1(r) and p2(r) are different for small r. The rate of contact formation decreases monotonically with the number of bonds N, and the rate approximately conforms to the scaling relation of k(N) ∝ N-α. Here the value of α increases with the contact radius a and it also depends on the percentage of H (hydrophobic) residues in the sequences of compact chains and the energy parameters of εHH, εHP and εPP . Some comparisons of theoretical predictions with experimental results are also made. This investigation may help us to understand the protein folding.     

带状线性方程组的并行行作用方法

目的行作用方法具有直接法与迭代法两者的优点,适用范围较广,在串行算法的基础上给出行作用方法适合于分布式存储环境的并行实现方案。方法采用从三维投影技术推广为并行P维投影技术。结果在HP rx2600集群系统上进行了数值计算,与多分裂方法作了比较,结果表明行作用方法适用范围较广且具有良好的并行性,方法简便可行。结论通过实际算例表明,本文算法是一个较好的并行算法。     

内江猪与伍隍猪类缘关系的血红素结合蛋白(Hp)、血红蛋白(Hb)多态性研究

采用聚丙烯酰胺凝胶垂直平板电泳法对内江猪、伍隍猪及其对照荣昌猪、杜洛克猪的Hp血清型和Hb进行分型研究,检出了HP~1、HP~2、HP~3三个等位基因控制的6种基因型和4种变异型,根据基因频率计算出四种类群的标准遗传距离并按最短距离法聚类,伍隍猪与内江猪遗传距离最近为0.00203、伍隍猪与荣昌猪为0.00333,伍隍猪与杜洛克最远为0.00850。显示伍隍猪与内江猪有紧密的类缘关系。在HP基因型种类分布上,伍隍猪为4+4种,即存在1—1~F、1—3~F、1~F—3和3—3~F等四种基因型的变异型,而内江猪为5+1种,只有1—3一种变异型存在,揭示两者除同一性外存在一定差异性。卡方检验表明,伍隍猪基因型分布偏离Hardy—Weinberg平衡规律,HP~1—1纯合子频度偏低HP~1—2偏高是失衡的主因,对此进行了讨论,四类群猪Hb均无多态性。     

Intercalates of α-Sn(HP04)2·H2O with aromatic and heterocyclic bases and some comments on their orientation in the interlayer region

The intercalation of amines into -tin(IV) hydrogen phosphate, -Sn(HP0₄)₂·H₂0, (-SnP) can occur to give mono- or bilayers of the guest molecule. The distribution and orientation of the amines is influenced by geometrical factors, acidity of the guest molecule and moreover, the degree of charge localisation of the guest organic cations. Regarding the monolayer formation, there are two possibilities. The first is that aromatic amines form monolayers with parallel orientation of the amine with respect to the phosphate layer, when the charge is delocalised over the aromatic ring. Monolayer formation with perpendicular orientation occurs when the positive charge is localised in opposite parts of the aromatic ring molecule. Bilayer formation occurs when the positive charge is localised in one part of the molecule and simultaneous interaction with two adjacent layers is not possible.     

Investigation of Highly Designable Dented Structures in HP Model with Hydrogen Bond Energy

Some highly designable protein structures have dented on the surface of their native structures, and are not full compactly folded. According to hydrophobic-polar （HP） model the most designable structures are full compactly folded. To investigate the designability of the dented structures, we introduce the hydrogen bond energy in the secondary structures by using the secondary-structure-favored HP model proposed by Ou-yang etc. The result shows that the average designability increases with the strength of the hydrogen bond. The designabilities of the structures with same dented shape increase exponentially with the number of secondary structure sites. The dented structures can have the highest designabilities for a certain value of hydrogen bond energy density.     

穴位埋线治疗消化性溃疡53例疗效观察

目的：探讨穴位埋线疗法治疗消化性溃疡的疗效．方法：将103例消化性溃疡患者随机分为埋线组53侧,西药组50例,并对其两组疗效进行观察．结果：两组中医症候痊愈率、总有效率分别为52．8％、90．6％;52．0％、92．0％．胃镜痊愈率、总有效率分别为41．5％、94．4％;40．0％、92．0％．两组比较差异无显著性（P〉0．05）．两组幽门螺旋杆菌转阴率分别为91．1％、90．3％（P〉0．05）．结论：穴位埋线具有抑制胃酸分泌及促进溃疡愈合的作用．     

基于滤波技术的首都旅游贸易发展趋势与周期研究

运用HP滤波技术,实证拟合了首都旅游贸易的发展趋势和周期.在对时间序列分离出趋势和周期之后,采用多项式拟合给出了趋势值的经验回归表达式,在此基础上,分析了剔除趋势后的贸易周期特征.研究表明,改革开放的前10年,首都旅游贸易的出口周期性表现并不明显;之后至今的20年,则呈现显著周期特征,周期长度大约5-7年,但这种周期变化也不具有稳定性.对比我国经济发展历程,首都旅游贸易出口周期与宏观经济增长周期高度一致,显示出其对宏观经济发展具有高度敏感性,因此必须重视宏观经济减速给首都旅游贸易带来的衰退影响.另外,重大事件对首都旅游贸易的影响也不容忽视.     

改进的自组织映射(SOM)蛋白质折叠算法和计算实现

蛋白质结构预测是生物信息学中的重要研究方向．为了研究蛋白质折叠的机理,人们引入了只考虑蛋白质疏水核心和亲水外围位置导致能量差别的简化HP模型．即使是求解二维HP模型已被证明是一个NP完全问题,因此需要设计有效的近似算法来求解较大规模的HP模型．从旅行商问题(TSP)的求解看,自组织映射是构造近似算法的有效工具．本文将归一化的F-W自组织模型应用到蛋白质二维HP问题的求解中,结合为克服多重映射构造的局部线搜索算法．数值试验表明,该算法改进了现有的HP模型的SOM求解算法, 只需很少的迭代步数就能找到最低能量构象．这一改进算法可以成为进一步研究的基础．     

Experimental investigation on the dissociation conditions of methane hydrate in the presence of imidazolium-based ionic liquids

In this work, the performance of nine ionic liquids (ILs) as thermodynamic hydrate inhibitors is investigated. The dissociation temperature is determined for methane gas hydrates using a high pressure micro deferential scanning calorimeter between (3.6 and 11.2) MPa. All the aqueous IL solutions are studied at a mass fraction of 0.10. The performance of the two best ILs is further investigated at various concentrations. Electrical conductivity and pH of these aqueous IL solutions (0.10 mass fraction) are also measured. The enthalpy of gas hydrate dissociation is calculated by the Clausius–Clapeyron equation. It is found that the ILs shift the methane hydrate (liquid + vapour) equilibrium curve (HLVE) to lower temperature and higher pressure. Our results indicate 1-(2-hydroxyethyl) 3-methylimidazolium chloride is the best among the ILs studied as a thermodynamic hydrate inhibitor. A statistical analysis reveals there is a moderate correlation between electrical conductivity and the efficiency of the IL as a gas hydrate inhibitor. The average enthalpies of methane hydrate dissociation in the presence of these ILs are found to be in the range of (57.0 to 59.1) kJ ⋅ mol⁻¹. There is no significant difference between the dissociation enthalpy of methane hydrate either in the presence or in absence of ILs.