炉液倾动重心近似计算的数学分析

为给转炉设计提供依据,需要计算炉液倾动的重心.利用数学方法将实际问题进行简化,通过分析炉液倾动过程中变量间的相互关系,来确定每个倾动角度对应情况下的液面位置.利用数学中三重积分的有关应用,进一步得出转炉在每个倾动角度为α∈(0,π2)时的重心计算方法及相关结论,在理论上为工程计算重心的方法提供参考.     

生物小分子与铜锌超氧化物歧化酶相互作用的波谱学研究及其应用

本工作以ESR和NMR为主要手段,并结合其它生化方法,考察了氨基酸、核酸碱基、糖等生命基本物质,和抗坏血酸等生命必需物质与钢锌超氧化物歧化酶的相互作用,实验观测到氨基酸、核酸碱基和抗坏血酸在水溶液中可以与酶中的Cu²⁺作用而使其脱离活性部位,以小分子络合物形式游离在溶液中,同时使酶失活,脱离活性部位的Cu²⁺的比例和酶的失活程度取决于小分子配体的加入量及其与Cu²⁺的络合能力。此外,首次尝试使用ESR方法,并借助氨基酸与酶的作用,考察了铜锌超氧化物歧化酶在盐酸胍变性和热变性过程中的构象变化行为,结果表明这一方法是直观而有效的。     

Transesterification of an RNA model in buffer solutions in H2O and D2O

Transesterification of a phosphodiester bond of RNA models has been studied in various buffer solutions, under neutral and slightly alkaline conditions in H₂O and D₂O. The results show that imidazole is the only buffer system where a clear buffer catalysis on the cleavage of a phosphodiester bond is observed. The rate enhancement in sulphonic acid buffers is smaller, and a sulphonate base, particularly, is inactive as a catalyst. The rate‐enhancing effect of imidazole is, however, catalytic, and the catalytic inactivity of sulphonate buffers can be attributed to their structure and/or charge. The catalysis by imidazole is a complex system which, in addition to first‐order reactions, involves a process that shows a second‐order dependence in imidazole concentration. The latter reaction becomes significant in acidic imidazole buffers (pH < pK_a), as the buffer concentration increases. The kinetic solvent deuterium isotope effect k_H/k_D, referring to first‐order catalysis by imidazole base, is 2.3 ± 0.3. That referring to second‐order catalysis is most probably much larger, but an accurate value could not be obtained. Copyright © 2007 John Wiley & Sons, Ltd.     

Arenesulfonylimines of methyl trifluoropyruvate in the cyclocondensation reactions with 1,3-C,N-and-N,N-binucleophiles

Reaction of arenesulfonylimines of methyl trifluoropyruvate with 1,3-C,N-and-N,N-binucleophiles led to a variety of N-sulfonylated fluorine-containing heterocycles, including the fused ones. Published in Russian in Izvestiya Akademii Nauk. Seriya Khimicheskaya, No. 11, pp. 2171–2175, November, 2007.     

巴旦杏中脂肪酸的测定

采用气相色谱仪进行定量分析，气－联质联用仪进行定性分析，巴旦杏中脂肪酸进行了测定，并探讨了样品处理方法和气－质联用仪的分析条件，得到了较为满意的分析结果。     

解约束优化问题的QP-free可行域方法

本文利用一个新的分片线性NCP函数提出一个新的可行的QP-free方法解非线性不等式约束优化问题.不同于其他的QP-free方法,这个方法只考虑在工作集中的约束函数,工作集是积极集的一个估计,因此子问题的维数不是满秩的.这个方法可行的并且不需假定严格互补条件、聚点的孤立性得到算法的全局收敛性,并且积极约束函数的梯度不要求线性独立的,其中由拟牛顿法得到的子矩阵不需要求一致正定性.     

Gas solubility of carbon dioxide in poly(lactic acid) at high pressures: Thermal treatment effect

The sorption of carbon dioxide in glassy Poly(lactic acid) (PLA) films was studied by quartz crystal microbalance (QCM) at high pressures. Two thermal treatments, melted and quenched, were performed in PLA with two different L:D contents, 80:20 and 98:2, films and compared with a third thermal protocol, annealed, and used in a previous work. The results obtained show that for pressures higher than 2 MPa, the carbon dioxide solubility is larger in PLA 80:20 than in PLA 98:2, indicating that the L:D plays a dominant role on this property. The thermal treatments only affect the gas solubility in PLA 98:2. Sorption isotherms at temperatures 303, 313, and 323 K, below the glass transition temperature of the polymer, and pressures up to 5 MPa were measured and analyzed with three different models, the dual‐mode sorption model, the Flory–Huggins equation, and a modified dual‐mode sorption model where the Henry's law term was substituted by the Flory–Huggins equation. This last model performs especially well for CO₂ in PLA 80:20, due to the convex upward curvature of the solubility isotherms for that system. © 2007 Wiley Periodicals, Inc. J Polym Sci Part B: Polym Phys 45: 616–625, 2007     

Studies on the Synthesis and Properties of K_8[TiP_2W_17O_62]·12H_2O

The present paper covers a salt of 2:18 heteropoly complex of tungstotitanophosphate prepared with the method of improved sequence preparation. The title compound was characterized by elemental analysis, 31P NMR spectra, polarography, cyclic voltammetry, IR, UV, X-ray powder diffraction , X-ray photoelectron spectra and TG-DTA analysis. The results show that the complex with the formula K8[TiP2W17O62]·12H2O has Dawson structure. Its properties such as spectra, redox behavior and thermal stability are discussed.     

Radical Couplings as Key Steps for the Preparation of Derivatives of Nonactic Acid

Summary. Free radical couplings from furan, as cheap starting material, were studied in view of developing a rapid strategy en route to the synthesis of derivatives of nonactin. The chain containing the alcohol function was introduced in one or two steps in 86% yield. For the introduction of the second chain with the ester function two different coupling methods were tested. Starting from the advanced intermediates obtained nonactin derivatives can be prepared by catalytic hydrogenation of the furan ring.     

CCD光谱谱线标定方法研究

CCD作为光谱分析和测色仪器的光谱接收器件 ,光谱谱线定位受单色仪狭缝和CCD光敏元尺寸影响。提出采用最小二乘法做曲线拟合和质心法来确定光谱线在CCD上的精确定位 ,使光谱谱线的定位精度得到提高 ,并且不受CCD光敏元尺寸限制。实验结果表明 ,两种方法对光谱线的定位 ,具有重复性高 ,稳定性好等特点。在定位精度上 ,两者具有一致性。