Partial regularity for certain classes of polyconvex functionals related to nonlinear elasticity

Consider the variational integral where Ω⊂ℝ ⁿ andp≥n≥2. H: (0, ∞)→[0, ∞) is a smooth convex function such that . We approximateJ by a sequence of regularized functionalsJ _δ whose minimizers converge strongly to anJ-minimizing function and prove partial regularity results forJ _δ-minimizers.     

Molar heat capacities and volumes of transfer of cytosine,thymine, caffeine and 1,3-diethylthymine to aqueous solutions of glycyl-glycine and L-α-alanyl-L-α-alanine at 25°C

Densities and specific heat capacities of ternary aqueous systems containing dipeptides (glycyl-glycine or L--alanyl-L--alanine) and nucleic acid bases (cytosine or thymine) or their alkyl derivatives (1,3-diethylthymine or caffeine) were determined at 25°C by flow calorimetry and flow densimetry. The partial molar volumes and heat capacities of transfer at infinite dilution of the different nucleic acid bases from water to water+dipeptide solutions were obtained therefrom. Except for the case of the transfer of cytosine to aqueous glycyl-glycine solutions where a small positive dependence of the transfer quantities was observed with the dipeptide concentration, the values of the heat capacities of transfer were in general low, positive or negative, depending on the compensation of hydrophobic-hydrophilic interactions between the dipeptide and the base. The volumes of transfer of most of the bases are very small, within the limit of the experimental error.     

偏最小二乘法在原子吸收光谱分析中的应用——钴和铟的同时测定

本文用偏最小二乘法（ＰＬＳ）校正了火焰原子吸收分析Ｉｎ２５２．１３７ｎｍ对Ｃｏ２５２．１３６ｎｍ的吸收线重叠干扰,对混合样中Ｃｏ和Ｉｎ的含量进行了测定,结果令人满意。     

Wiener's test for space-time random walks and its applications

This paper establishes a criterion for whether a -dimensional random walk on the integer lattice visits a space-time subset infinitely often or not. It is a precise analogue of Wiener's test for regularity of a boundary point with respect to the classical Dirichlet problem. The test obtained is applied to strengthen the harder half of Kolmogorov's test for the random walk.

     

Local partial regularity theorems for suitable weak solutions of a class of degenerate systems

A partial regularity theorem is established for a particular class of weak solutions to the systemu/t– div(K(u)u)=(u)¦¦², div((u))=0 on a bounded domain inR ^N . Under our assumptions, (u) may exhibit exponential decay, and thus the system may be degenerate. Our proof is based upon a blow-up argument.This work was supported in part by NSF Grant DMS9424448.     

同时测定水溶液中葡萄糖、果糖和蔗糖的近红外光谱法

通过对27个葡萄糖、果糖和蔗糖水溶液的混合体系进行近红外光谱分析，建立了葡萄糖、果糖和蔗糖含量测定的偏最小二乘法(PLS)模型；葡萄糖、果糖和蔗糖的线性范围分别为0—300g/L、0—200g/L、0—300g/L，模型校正集的标准误差(SEC)分别为1．4、1．8、1．4g/L；用该模型对6个样品进行分析，葡萄糖、果糖和蔗糖含量测定的相对标准偏差(RSD)分别为1．2％、2．6％和1．8％。     

Charge calculations in molecular mechanics. Part 8 Partial atomic charges from classical calculations

Summary The CHARGE2 programme, which involves the classical calculation of both the inductive and resonance contributions to the partial atomic charges in molecules is described, and the charges and electrostatic potentials obtained presented for some illustrative examples.In substituted methanes (CH₃X, CF₃X, CCl₃X) the effects of varying the electronegativity of the substituents and the - and -substituent contributions are clearly illustrated for a variety of substituent groups X.The problems involved in the inclusion of silicon into this scheme are detailed, together with the methods of overcoming them. The partial atomic charges ( and contributions) and electrostatic potentials for some silicon oxygen compounds are presented and discussed.The partial atomic charges from CHARGE2 for all the natural amino acids as their N-acetyl, N-methyl-amides are given and compared with those obtained from the AMBER and ECEPP/2 force fields. Considerable differences in these figures are observed, with the AMBER charges consistently much larger than those from the other two methods.The CHARGE2 partial atomic charges and electrostatic potentials for the four common nucleic acids, adenine, cytosine, guanine and thymine, are given and compared with those derived from other calculations. Again there is general similarity but also there are considerable differences, with those from the AMBER force field somewhat larger than the other methods.For previous parts in this series, see Refs. 1-7.     

偏最小二乘光度法同时测定多种酚的研究及应用

利用Ｃｕ（Ⅱ）吡啶能与酚形成稳定的三元配合物的特点，研究了Ｃｕ（Ⅱ）－吡啶－酚三元显色新体系，并以偏最小二乘法建立模型预测，同时测定了模拟水样和环境水样中的对苯二酚、间苯二酚、邻苯三酚和对硝基苯酚，取得满意效果。     

Volumetric properties of ethanol–water mixtures under high temperatures and pressures

The densities of ethanol and ethanol–water mixtures were measured with a vibrating tube densimeter at 25.0, 50.0 and 75.0 °C in the pressure range from 0.10 to 40.00 MPa. Densities were correlated using an empirical model. Partial molar volumes, excess molar volumes, isothermal compressibilities, cubic expansion coefficients and internal pressures were calculated from obtained densities. This study reports the dependence of densities, partial molar volumes, excess molar volumes, isothermal compressibilities, cubic expansion coefficients and internal pressures on composition, temperature and pressure.     

Partial Molar Volumes and Partial Molar Adiabatic Compressibilities of Fe(III) Tetrafluoroborate Complexes with DMSO, Pyridine, and Pyridine Derivatives

The apparent and limiting apparent molar volumes of dilute aqueous solutions of KBF₄, and the complexes [Fe(DMSO)₆](BF₄)₃, [Fe(Py)₄(H₂O)₂](BF₄)₃, [Fe(4-Mepy)₂(H₂O)₂](BF₄)₃, and [Fe(4-Etpy)₂(H₂O)₂](BF₄)₃ were determined from density data measured at 5, 15, and 25°C. The apparent and limiting apparent molar adiabatic compressibilities of these complexes were determined from ultrasonic sound velocities measured at the same temperatures in dilute aqueous solutions. The volume change associated with complex formation is discussed in terms of the nature of the coordinate bond and also the role of the central metal atom and ligands in the solvation behavior of these complexes.