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.     

Novel combination of non-aqueous capillary electrophoresis and multivariate curve resolution-alternating least squares to determine phenolic acids in virgin olive oil

This paper presents the development of a non-aqueous capillary electrophoresis method coupled to UV detection combined with multivariate curve resolution-alternating least-squares (MCR-ALS) to carry out the resolution and quantitation of a mixture of six phenolic acids in virgin olive oil samples. p-Coumaric, caffeic, ferulic, 3,4-dihydroxyphenylacetic, vanillic and 4-hydroxyphenilacetic acids have been the analytes under study. All of them present different absorption spectra and overlapped time profiles with the olive oil matrix interferences and between them. The modeling strategy involves the building of a single MCR-ALS model composed of matrices augmented in the temporal mode, namely spectra remain invariant while time profiles may change from sample to sample. So MCR-ALS was used to cope with the coeluting interferences, on accounting the second order advantage inherent to this algorithm which, in addition, is able to handle data sets deviating from trilinearity, like the data herein analyzed. The method was firstly applied to resolve standard mixtures of the analytes randomly prepared in 1-propanol and, secondly, in real virgin olive oil samples, getting recovery values near to 100% in all cases. The importance and novelty of this methodology relies on the combination of non-aqueous capillary electrophoresis second-order data and MCR-ALS algorithm which allows performing the resolution of these compounds simplifying the previous sample pretreatment stages.     

航天反射镜材料SiC

航天反射镜材料的一些优选性质包括密度低、弹性模量高、热膨胀系数低及热传导率高。与传统光学材料相比,碳化硅(SiC)具有优异的机械和热性能,被认为是引入注目的反射镜材料。本文概述了SiC的基体成形工艺和机械精加工工艺,讨论了其优缺点,并概述了国内外的发展现状。     

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.     

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.     

基于MC/SG的双机热备系统设计与实现

详细介绍服务器双机技术,分析双机热备技术的主要功能,并根据企业系统的需求,提出双机设计方案,并对系统中双机热备实现细节进行相应的阐述。     

一种基于HP EESOF软件的IMPATT二极管非线性电路模型参数的提取方法

通过对雪崩二极管非线性电路模型参数数学表达式的分析，利用HPEESOF软件进行电路模型的计算机模拟，计算出雪崩管在非线性状态下的器件阻抗，从而为雪崩管振荡器的设计提供了重要的理论依据。     

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.