On the difference between hydrogen fluoride and hydrogen chloride crystals

The geometrical and energetical parameters of hydrogen fluoride and hydrogen chloride crystals are calculated using the periodic Hartree–Fock method with 6-31G and 6-31G(d,p) basis sets. The comparison of the stabilisation energies reveals that HCl crystals are about 75% less stable than HF crystals. The activation energy for collective proton movements are computed and discussed in view of data of isolated infinite chains. The barriers of 13.1 and 40.0 kcal mol⁻¹ at 6-31G(d,p) level are found for HF and HCl crystals.     

Thermal decomposition of rare earth element enanthates

The conditions of formation of Y, La and lanthanide (from Ce(III) to Lu) enanthates were worked out, their composition and their solubilities in water at 291 K were determined, and the conditions of their thermal decomposition were studied. They were prepared as crystalline solids with general formula Ln(C₇H₁₃O₂)₃·nH₂O, wheren=2–10. On heating, they decompose in two or three steps. They first lose some water molecules and then decompose to the oxides directly (salts of Y and heavy lanthanides) or via the intermediate formation of Ln₂O₂CO₃ (salts of La, Pr, Nd, Sm and Eu). Only yttrium enanthate dihydrate loses 2 water molecules on heating to form an anhydrous complex, which decomposes directly to Y₂O₃. The temperatures of dehydration are similar for all complexes (323–343 K), while the temperatures of oxide formation vary irregularly from 823 K for CeO₂ to 1078 K for La₂O₃.     

牛血清白蛋白与Indo-1相互作用的荧光光谱法研究

以牛血清白蛋白(Bovine serum albumin, BSA)与荧光探针Indo-1为蛋白质和配体模型, 基于Indo-1的荧光强度与BSA的分析浓度间的关系, 建立了计算二者相互作用位点数的方法, 并利用荧光共振能量转移及各种荧光技术对Indo-1和BSA的相互作用进行了研究. 结果表明, Indo-1在BSA中有3个作用位点, 这3个作用位点与BSA中的212位色氨酸(Trp 212)间的距离分别为2.93, 2.57和2.40 nm; Indo-1通过疏水性作用进入到BSA的3个疏水性空腔. 在荧光猝灭实验中, 通过Microlab 500 系列进样器和PTI荧光仪的联用实现了荧光强度的自动和实时记录.     

有机硅弹性体表面生物相容性的研究进展

生物材料表面的生物相容性一直是生物材料研究领域倍受关注的问题.本文综述了对有机硅弹性体进行改性以提高其表面生物相容性的研究进展,介绍了各种常用的化学改性方法如本体接枝、等离子体处理、光化学诱导接枝、臭氧活化接枝以及硅氢加成反应、原子转移自由基聚合反应在有机硅弹性体表面改性中的应用.对改性后的有机硅弹性体表面抗非特异性蛋白质和血小板的能力等方面进行了评述,并进一步分析了有机硅弹性体表面化学改性的发展趋势和研究重点.     

Synthesis, crystal structure and thermoelectric properties of a new carbide Zr2[Al3.56Si0.44]C5

A new quaternary layered carbide, Zr₂[Al_3.56Si_0.44]C₅, has been synthesized and characterized by X-ray powder diffraction, transmission electron microscopy and thermopower and electrical conductivity measurements. The crystal structure was successfully determined using direct methods, and further refined by the Rietveld method. The crystal is trigonal (space group R3m, Z=3) with lattice dimensions of a=0.331059(5), c=4.09450(5) nm and V=0.38864(1) nm³. The final reliability indices calculated from the Rietveld refinement were R_wp=6.24%, R_p=4.21% and R_B=0.82%. The crystal structure is composed of electroconductive NaCl-type ZrC slabs separated by Al₄C₃-type [Al_3.56Si_0.44]C₃ layers. This material had thermoelectric properties superior to those of the ternary layered carbides Zr₂Al₃C₄ and Zr₃Al₃C₅, with the power factor reaching 7.6×10⁻⁵W m⁻¹ K⁻².     

Thermodynamic study of N-trifluoroacetyl-O-alkyl nipecotic acid ester enantiomers on diluted permethylated beta-cyclodextrin stationary phase

Thermodynamic studies were performed on 12 pairs of N-trifluoroacetyl-O-alkyl nipecotic acid ester enantiomers on diluted permethylated beta-cyclodextrin stationary phase (CP Chirasil-Dex CB). The influence of ester alkyl group structure on interaction with permethylated beta-cyclodextrin (Me-CD) and enantioselectivity was studied. The types of alkyl groups studied included n-alkyl (C1-C5) and groups containing branching at differing locations relative to the chiral center of the molecule. The results show that for a given molecular weight, the n-alkyl esters have stronger interactions with Me-CD than esters containing branched alkyl groups. However, although having weaker interactions with Me-CD, esters containing alpha-branched alkyl groups exhibit higher enantioselectivity than the corresponding n-alkyl or beta-branched isobutyl esters. From the retention data, thermodynamic parameters were estimated using the retention increment method and enthalpy-entropy compensation plots (ln R' versus deltaH) were constructed. The results suggest that ester enantiomers with branching at the alpha-carbon of the ester alkyl group have additional and/or different types of enantioselective interactions with Me-CD than the C1-C5 n-alkyl esters or beta-branched isobutyl ester. In order to obtain a qualitative sense of the interaction with Me-CD, structures of the diastereomeric complexes formed between Me-CD and some of the ester enantiomers were modeled using simulated annealing molecular dynamics.     

高镍钢中镍的测定

以王水溶解试样，用氨水作沉淀剂，并加入适量三乙醇胺及柠檬酸进行掩蔽，以消除铁及铬等元素的干扰，在pH=3-6的酸性介质中，加入过量的EDTA标准溶液，使镍与EDA形成稳定的络合物，以PAN为指示剂，用硫酸铜标准溶液滴定过量的EDTA标准溶液，从而求得镍的含量。     

微波消化技术在生物微量元素测定中的应用

用微波消化技术消化了多种食物样品．与传统的干、湿消化法相比，微波消化更加简单、快速、节省、沾污少、损失少、环境污染少．用原子吸收测定样品中的Ｆｅ，Ｃ．Ｖ＜２％，加标回收率为９８％～１００％，测定美国生物标准物质牛肝中的Ｆｅ的相对误差为０．３％，结果令人满意．     

溶胶-凝胶法制备高取向Bi4Ti3O12/SrTiO3(100)薄膜

Bi4Ti3O12具有良好的铁电、电光等性能山、特别是Bi4Ti3O12薄膜很适合作永久性存储材料，也可用于电光器件问．在微电子学、光电子学、集成光学、集成铁电学等领域均有广泛开发和应用前景，国外已用溅射法、激光沉积法制备出c轴取向Bi。Ti3Ol。薄膜【’，＼山东大学用MOCVD法制     

X-射线荧光分析散射幂函数法原理及其应用I·RhKα相干散射平方法

本文发现6~40号元素对能量为20keV的X_射线的质量吸收系数和质量相干散射系数之间呈二次幂函数关系,并据此提出了X_射线荧光定量分析校正基体效应的新方法——RhKa相干散射平方法.用国家标准物质GBW对该原理进行了验证.本法用于硅酸盐地质样品中微量元素的测定取得令人满意的结果.