Calculation of enthalpies of hydrogenation of hydrocarbons

Sets of hydrogen molecule equivalents have been developed which permit the calculation of hydrogenation of different types of carbon-carbon bonds from ab initio total energies (3-21G and 6-31G* basis sets, and, to a more limited extent, for MP2/6-31G* data) of reactants and products. The calculated enthalpies of hydrogenation are in good agreement with experiment for unstrained molecules, with average errors on the order of 2 kcal/mol. The 6-31G* equivalents allow the enthalpies for strained molecules to be calculated accurately, but the 3-21G equivalents do not. The equivalents for both basis sets have been tested by calculating the enthalpies of hydrogenation of carbon-carbon bonds in nitrogen- and oxygen-containing organic molecules, free radicals, and classical carbocations. The results are in good agreement with experiment in most cases.     

饲料中补充晶体蛋氨酸和羟基蛋氨酸钙对罗氏沼虾幼虾生长性能的影响

饲料中添加30%鱼粉为对照组饲料和6组试验饲料(分别替代对照组中16.67%、33.33%和50.00%的鱼粉,同一鱼粉替代水平的2组分别添加晶体蛋氨酸和羟基蛋氨酸钙,使其蛋氨酸含量与对照组一致)喂养罗氏沼虾(初始体重为(0.29±0.04) g )10周,研究不同鱼粉替代水平下,分别添加晶体蛋氨酸和羟基蛋氨酸钙对罗氏沼虾幼虾生长性能和血清生化指标的影响.结果表明：复合蛋白源替代对照组16.67%鱼粉并补充羟基蛋氨酸钙组的增重率、特定生长率、蛋白质效率和饲料系数同对照组无显著差异(P>0.05);同一鱼粉替代水平下,羟基蛋氨酸钙组的增重率、特定生长率和蛋白质效率均显著高于晶体蛋氨酸组(P<0.05).血清生化组成的分析结果表明：血清总蛋白含量各处理组之间差异显著(P<0.05),对照组血清谷草转氨酶和谷丙转氨酶活力显著低于其他各组(P<0.05),其中同一替代水平下,饲料中添加羟基蛋氨酸钙组谷草转氨酶和谷丙转氨酶活力低于添加晶体蛋氨酸组.由此可见,与晶体蛋氨酸相比,羟基蛋氨酸钙能更有效提高罗氏沼虾生长性能和饲料利用效率.     

Direct atomic absorption spectrometry determination of tin, lead, cadmium and zinc in high-purity graphite with flame furnace atomizer

This work described methodology of Sn, Pb, Cd and Zn impurities determination in high-purity graphite at direct atomic absorption spectrometry (AAS) with flame furnace (FF) atomizer. It was evidence that quality of AAS measurements are depended from sample amount, its homogeneity, particle size, as well as calibration procedure and operation parameters of FF atomizer. Prior to analysis the method has been developed and optimized with respect to the furnace heating temperature and flame composition of FF atomizer. Conditions of absorption peak areas (Q_A) formation to each element were studied on the basis of contribution into its value some of individual parameters of analytes, including mass-transporting process from increasing mass of graphite samples into gas phase. Because particle size and homogeneous distribution of analyte in powdered materials has an enormous influence on accuracy and precision of measurement results, graphite as well as appropriate series of powdered reference standards was previously ground and investigated. Graphite samples to be analyzed and standard reference materials with mass from 0.025 to 0.200 g was previously briquetted as pellet and insert on corresponding hole in furnace. The characteristic mass (g₀) of Sn, Pb, Cd and Zn were 0.35, 0.1, 0.008 and 0.025 ng, respectively, and relative standard deviation (S_r) not more than 20%.     

Direct Atomic Absorption Spectrometric Determination of Selenium in Biological Fluids by a Graphite Filter Furnace Atomizer with Carbon Thread

A rapid and simple method was developed for the determination of selenium in biological fluids by direct electrothermal atomic absorption spectroscopy. The operation parameters of a commercial longitude heating furnace combined with a graphite filter furnace, graphite thread (tube-in-tube atomization system), and a Pd–Mg chemical modifier were proposed, and the corresponding analytical characteristics for the determination of Se at concentrations greater than or equal to 0.0025?mg/kg in blood, urine, saliva, and breast milk samples were established. Recovery values of Se with the proposed method varied within 93 to 107% for these matrices. Relative standard deviations for the analysis of certified material were also compatible; values of 5 and 7% were achieved for blood serum and urine, respectively. The relative standard deviation obtained by the proposed method did not exceed 8%, and the total time for Se determination was 5 to 7?min. The novelty of this technique is that it offers an effective tool for removing the interferences from 10 to 20?g/L organic and 1.0 to 1.5?g/L mineral components in the materials and for significantly reducing the background absorption of light caused by their presence.     

新开花粉蛋白的盐酸胍去折叠过程

本文利用荧光光谱和园二色光谱了新开花粉蛋白的盐酸胍去折叠过程。结果显示：新开花粉蛋白的盐酸胍去折叠是一个只包含天然蛋白和变性终态的二态过程,与已经报道的天花粉蛋白的盐酸胍去折叠的过程不同。     

Review of nanofluids for heat transfer applications

Research on nanofluids has progressed rapidly since its enhanced thermal conductivity was first repotted about a decade ago,though much controversy and inconsistency have been reported,and insufficient understanding of the formulation and mechanism of nanofluids further limits their applications.This work presents a critical review of research on heat transfer applications of nanofluids with the aim of identifying the limiting factors so as to push forward their further development.     

Thermogravimetric analysis of a polycyanurate thermosetting material

The thermal degradation of a fully cured polycyanurate thermosetting material was examined by monitoring the mass loss at various temperatures ranging from 200 to 220C. The effect of the copper naphthenate catalyst, generally used to facilitate curing, is also studied. A decrease in weight is observed with increasing time at elevated temperatures in the systems containing copper naphthenate, with the onset of degradation occurring sooner with higher concentrations of the copper compound. The apparent activation energy for degradation is 220±30 kJ mol^–1.The support of the National Science Foundation in the form of an equipment grant (CTS 9500318) is gratefully acknowledged.     

CD40mAb adjuvant induces a rapid antibody response that may be beneficial in post-exposure prophylaxis

Active vaccination can be effective as a post-exposure prophylaxis, but the rapidity of the immune response induced, relative to the incubation time of the pathogen, is critical. We show here that CD40mAb conjugated to antigen induces a more rapid specific antibody response than currently used immunological adjuvants, alum and monophosphoryl lipid A™.     

Homological properties of piecewise hereditary algebras

Let Λ be a finite dimensional algebra over an algebraically closed field k. We will investigate homological properties of piecewise hereditary algebras Λ. In particular we give lower and upper bounds of the strong global dimension, show the behavior of the strong global dimension under one point extensions and tilting. Moreover we show that the “pieces” of modΛ have Auslander–Reiten sequences.