Corrigendum to a Paper by Charak and Laine

This is a corrigendum to our paper, "On a class of prime entire functions", published in Acta Math. Sin., Engl. Ser., 25, 1647-1652 (2009).     

溶液的pH值对纳米CeO2晶粒形貌及形成机制的影响

以亚硝酸铈盐和氨水沉淀法合成了二氧化铈纳米粒子. 通过对溶液pH值的调节制备出了形貌各异的纳米CeO2晶粒. TEM和BET结果表明 酸性条件下, 得到的是球形的纳米CeO2晶粒且其比表面为148.1944 m2·g-1;中性时, CeO2晶粒的形貌为球形和棒状的混合形, 比表面为114.7975 m2·g-1;而碱性环境下, 易得到棒状的、比表面为106.2465 m2·g-1 的CeO2晶体. 另外还对各种形貌产物的形成机制进行了研究.     

影响白砂糖色值测量结果的原因探讨

研究了水质、滤膜、溶液浓度、糖液ｐＨ值、混浊度的变化与白砂糖色值的关系。研究结果表明，溶液的ｐＨ变化影响最严重。不调整糖液ｐＨ与用ＨＣｌ或ＮａＯＨ调整糖液ｐＨ对比所得白砂糖色值的结果是满意的。标准偏差１１２～１８６，相对标准偏差１１６％～２２５％，调ｐＨ使结果偏高，导致产生系统误差。因此：测定白砂糖色值不宜调整糖液的ｐＨ。     

以Δpe 表示的一次加入标准法计算公式和数值表

本文提出一个以(10~(△pe)-1)~(-1)对△pe表示的离子选择电极一次加入标准法结果处理数值表。该表简单明了,不含电极斜率因素,适用于具有各种斜率的电极和不同价态离子的测定。     

静电和疏水效应对TGEV主蛋白酶二聚体稳定性的影响

从TGEV 3CL蛋白酶二聚体结构出发,研究了TGEV 3CL蛋白酶二聚体单体之间的静电和疏水相互作用.蛋白质的静电相互作用通过有限差分方法求解Poisson-Boltzmann方程得到,疏水相互作用通过分析溶剂可及性表面模型得到.考察了不同pH值对TGEV 3CL蛋白酶二聚体静电和疏水相互作用的影响,在pH值为5.5～8.5时,二聚体静电相互作用能、静电去溶剂化能和疏水自由能都较小,表明在该条件下静电和疏水相互作用有利于二聚体的稳定存在,这符合实验结晶所需条件.pH值对静电去溶剂化能的影响大于疏水自由能,表明静电作用是造成强酸或强碱条件下二聚体不能稳定存在的主要原因.     

The assessment of compliance with legal limits. Part 2. How to consider both type I and type II errors when working in the concentration domain

Considering the uncertainty of measurement when assessing compliance with reference values given in compositional specifications and statutory limits is still a controversial matter. In theory, assessing compliance requires considering both type I (false positive) and type II (false negative) errors. The more the concentration of the analyte in the sample under investigation is close to the allowed concentration limit, the more critical it is to consider both types of errors. This paper describes how this could be done. The matter is discussed in the light of the most recent literature information.     

CCSD(T) expectation value calculations of first-order properties

An expectation value approach to calculations of first-order properties using the non-iterative, triple-excitation amplitudes in the coupled cluster wave function is exploited. Three methods are suggested and analysed using the many body perturbation theory (MBPT) expansion arguments. The first method, in which non-iterative triple-excitation amplitudes are used in the expression for the expectation values, makes the wave function accurate through the second order of MBPT. In the second method, which is an extension of the first, effects of triple-excitation amplitudes are coupled with single- and double-excitation amplitudes. The correlated density matrix equivalent through the fourth order to that obtained when CCSDT-la amplitudes are used is employed in the third method. The suggested methods are tested on dipole moment and polarizability calculations for several diatomic closed-shell molecules and are compared to other related approaches. Received: 15 May 1997 / Accepted: 5 June 1997     

Evaluation of the use of consensus values in proficiency testing programmes

Proficiency testing (PT) is an essential tool used by laboratory accreditation bodies to assess the competency of laboratories. Because of limited resources of PT providers or for other reasons, the assigned reference value used in the calculation of z-score values has usually been derived from some sort of consensus value obtained by central tendency estimators such as the arithmetic mean or robust mean. However, if the assigned reference value deviates significantly from the ‘true value’ of the analyte in the test material, laboratories’ performance will be evaluated incorrectly. This paper evaluates the use of consensus values in proficiency testing programmes using the Monte Carlo simulation technique. The results indicated that the deviation of the assigned value from the true value could be as large as 40%, depending on the parameters of the proficiency testing programmes under investigation such as sample homogeneity, number of participant laboratories, concentration level, method precision and laboratory bias. To study how these parameters affect the degree of discrepancy between the consensus value and the true value, a fractional factorial design was also applied. The findings indicate that the number of participating laboratories and the distribution of laboratory bias were the prime two factors affecting the deviation of the consensus value from the true value.     

Enthalpies of Dilution of D-p-Hydroxyphenylglycine in Buffer Solutions at Different pH

The effect of pH on the dilution enthalpies of D-p-hydroxyphenylglycine in phosphate buffer solutions has been investigated by isothermal titration microcalorimetry at 298.15 K. The corresponding homogeneous enthalpic interaction coefficients have been calculated according to the excess enthalpy concept. The results show that the enthalpies of dilution of D-p-hydroxyphenylglycine in phosphate buffer solutions at different pH are all positive. The overall trend is that enthalpies of dilution become more positive with an increase of pH, but there is a minimum of the enthalpy of dilution at pH = 7.0. The enthalpic pair interaction coefficients, h ₂, all have negative values. The results are interpreted from the point of view of solute-solute and solute-solvent interactions involved in the solvent effects.