天花粉蛋白的化学——Ⅴ.粉末状结晶天花粉蛋白的拉曼光谱

本文报道粉末状结晶天花粉蛋白的拉曼光谱。酰胺Ⅰ和酰胺Ⅲ的振动谱带在1680和1250 cm~(-1)。骨架C_α—C—N的振动谱带在965 cm~(-1)。苯丙氨酸残基的特征谱带在1010和1620 cm~(-1)。酪氨酸残基的特征谱带在845和862 cm~(-1)。色氨酸残基的特征谱带在765 cm~(-1)。酰胺Ⅰ和Ⅲ的谱带中,B折叠和无序结构的特征较为明显。表征无序结构的965 cm~(-1)谱带很弱。     

脑神经退行性疾病中的有机化学-朊病毒(疯牛病)中的蛋白物理有机化学和自由基化学

通过关于“普里昂”蛋白病毒疾病的已有临床、医学生理、免疫和化学等方面的现象，讨论了朊病毒当中的部分蛋白氧化损伤和蛋白自由基化学本质。     

Summary of ISO/TC 201 Standard XI. ISO 17974:2002—Surface chemical analysis—High‐resolution Auger electron spectrometers—Calibration of energy scales for elemental and chemical‐state analysis

This International Standard specifies a method for calibrating the kinetic energy scales of Auger electron spectrometers for elemental and chemical‐state analysis at surfaces. It is only applicable to instruments that incorporate an ion gun for sputter cleaning. This International Standard further specifies a method to establish a calibration schedule, to test for the kinetic energy scale linearity at one intermediate energy, to confirm the uncertainty of the scale calibration at one low and one high kinetic energy value, to correct for small drifts of that scale and to define the expanded uncertainty of the calibration of the kinetic energy scale for a confidence level of 95%. This uncertainty includes contributions for behaviours observed in interlaboratory studies but does not cover all of the defects that could occur. This International Standard is not applicable to instruments with kinetic energy scale errors that are significantly non‐linear with energy, to instruments operated at relative resolutions poorer than 0.2% in the constant ΔE/E mode or poorer than 1.5 eV in the constant ΔE mode, to instruments requiring tolerance limits of ±0.05 eV or less or to instruments equipped with an electron gun that cannot be operated in the energy range 5–10 keV. This standard does not provide a full calibration check, which would confirm the energy measured at each addressable point on the energy scale and should be performed according to the manufacturer's recommended procedures. Crown Copyright © 2003. Published by John Wiley & Sons, Ltd.     

Adsorption Equilibrium and Kinetics of Egg-White Proteins on Immobilized Metal Ion Affinity Gels for Designing Fractionation

Designing an Immobilized Metal ion Affinity (IMA) chromatographic process on large scale demands a thorough understanding to be developed regarding the adsorption behaviour of proteins on metal loaded IMA (IMA-M(II)) gels and the characteristic adsorption parameters to be evaluated. This research investigation illustrates the significance of these aspects for the proposed fractionation of chicken egg-white proteins on these gels. Consequently, a systematic investigation of the adsorption characteristics of three chicken egg-white proteins viz., ovalbumin, conalbumin and lysozyme on Cu(II) and Ni(II) loaded IMA gels, iminodiacetate (IDA) and tris(2-aminoethyl)amine (TREN), has been undertaken. These gels differ in their selectivity towards the proteins of interest under the identical sets of experimental conditions. While TREN-Ni(II) was selective only for lysozyme, IDA-Cu(II), IDA-Ni(II) and TREN-Cu(II) showed varying affinities for all the three proteins. The equilibrium and kinetic data were analysed using various theoretical models and adsorption parameters were quantified. On the basis of these investigations, various strategies have been proposed for the efficient large-scale fractionation of chicken egg-white proteins on these gels.     

The search for a new model structure of β-Factor XIIa

We present the search for a new model of -factor XIIa, a blood coagulation enzyme, with an unknown experimental 3D-structure. We decided to build not one but three different models using different homologous proteins as well as different techniques and different modellers. Additional studies, including extensive molecular dynamics simulations on the solvated state, allowed us to draw several conclusions concerning homology modelling, in general, and -factor XIIa, in particular.     

Toward breast cancer resistance protein (BCRP) inhibitors: design, synthesis of a series of new simplified fumitremorgin C analogues

In this study, we report the design and synthesis of a series of new simplified fumitremorgin C analogues. The preliminary biological study indicated some of these simplified fumitremorgin C might be developed into breast cancer resistance inhibitors.     

Topological investigations of molar excess volumes of quinoline with alkanols

Excess volumes V ^E of binary liquid mixtures of quinoline with alkanols have been determined from densities at 30°C as a function of composition. The excess volumes are negative over the whole mole fraction range for all the mixtures and decrease with increasing length of alkanol (C₁–C₁₀). The V^E data have been analyzed in terms of an approach which uses graph theoretical connectivity parameters of the third degrees for two components. The analysis gives information regarding associated species in the pure state and in the mixture. It is suggested that, in the mixture state, no change occurs in the association of alkanols.     

胺、醇、醚类化合物电离能的自相关拓扑研究

原子的染色序数 fi 定义为 :fi=gi·xi,式中 gi 为原子i在分子中的序数 ,xi 为其染色系数 .基于fi 建立改进的原子序数自相关拓扑指数mF ,其中的1F对烷烃及其衍生物具有良好的结构选择性 .使用第一电离能 (Ip)与0 F ,1F的数量关系模型对 32种脂肪族胺、醇、醚进行估算、预测 ,结果令人满意     

Importance of the Debye interaction in organic solutions: Henry's law constants for polar liquids in nonpolar solvents and vice versa

Henry's law constants have been determined for -butyrolactone (BL), ethyl acetate (EA), and 2-methyl-3-pentanol (MEP) in mixtures of iso-octane (ISO) and toluene (TOL), for BL, EA, TOL, and ISO in cinnamaldehyde (CIN) and for TOL and ISO in each other and in BL. From these data and published vapor pressures, the activity coefficients at infinite dilution and the standard molar Gibbs free energy of transfer, G ₂ ⁰ of the solutes from dilute solution in ISO to dilute solution in each solvent medium have been calculated. The different behavior patterns of BL and EA are attributed to differences in their abilities to exist in different conformations possessing different dipole moments. For polar solutes, G ₂ ⁰ decreases with increasing polarizability of the solvent and with increasing dipole moment of the solute, suggesting increased contributions from dipole-induced dipole (Debye) interactions. The sigmoidal plot of G ₂ ⁰ against the change in pair potential energy calculated from the classical expressions suggests that G ₂ ⁰ seriously underestimates the strength of the Debye interactions in comparison with the London interactions.     

拟多维高效液相色谱法分离纯化双峰驼精清中的活性蛋白

利用一种新的高效液相色谱洗脱技术，建立了 ｐＨ缓冲液／离子对二元洗脱模式，对双峰驼精清的两种提取物的反相柱上进行了分离，得到了较纯的活性蛋白组分。该法操作简单、快速、比常规ＨＰＬＣ有更高的选择性及峰容量，并可减少活性蛋白的失活。