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71.
72.
R. Matissek 《Chromatographia》1989,28(1-2):34-38
Summary Antimicrobially active formulations based on 2-methyl-3(2H)-isothiazolone and 5-chloro-2-methyl-3(2H)-isothiazolone (Kathon CG, Euxyl K 100) are incorporated into manufactured cosmetics as preservatives. In this paper we report on the analysis of these active components by means of liquid chromatography. It is conventional for the original methylisothiazolone components in cosmetics to be analyzed by reversed phase high-performance liquid chromatography after column chromatographic separation and flash chromatographic purification. In our new analytical method the methylisothiazolones are converted into the respective -thiosubstituted acrylamide derivatives, which are ionic substances, with the help of the nucleophilic reagent hydrogensulfite. An ion pair high-performance liquid chromatographic method has been developed for the separation and quantification of these derivatives. 相似文献
73.
N. C. Handy 《Theoretical chemistry accounts》1973,31(3):201-204
Boys and Handy [1] have discussed the solution of the bivariational equations with restricted numerical integration. One of the weaknesses of the method was that in the numerical summations over points, some points arose with r
ij= 0 and non-zero weights. This makes the method quite impractical for the Schrodinger Hamiltonian (because of the singularity at r
ij= 0), and it cannot be advantageous for the transcorrelated Hamiltonian C–1HC because there will be some discontinuous higher derivatives at r
ij=0. Here it is shown how the symmetry of cylindrically symmetric molecules can be used to eliminate such points, without losing any of the advantages of the overall method, such as the convergence of the eigensolutions. It is also shown how the primary numerical integration points (z
i, ri) may be chosen in any calculation such that each is associated with an equal amount of one-electron density. The choice of the angular coordinates are governed by the removal of the r
ij=0 points and maintaining the natural orthogonality between orbitals of different symmetry types. The method has been programmed and found to be practical, although no new molecular calculations have yet been performed. It is to be hoped that these points will give a basis for new transcorrelated calculations on diatomic molecules.This paper was presented during the session on numerical integration methods for molecules of the 1970 Quantum Theory Conference in Nottingham. It has been revised in the light of the interesting discussion which followed. 相似文献
74.
Ludwik Adamowicz Rodney J. Bartlett Józef S. Kwiatkowski Willis B. Person 《Theoretical chemistry accounts》1988,73(2-3):135-145
The diatomic systems, PO and PO– are studied, using numerical Hartree-Fock (NHF) and coupled-cluster calculations. The latter employs a hybrid NHF and Slater orbital basis set. Highly accurate CCSD methods predict bond lengths accurate to <0.004 Å and frequencies to 60 cm–1. In addition the electron affinity of PO is computed to be 0.89 eV compared to an experimental value of 1.09±0.01. Comparisons are made with SCF and MBPT(2) results for PO+ using conventional basis sets.Dedicated to Professor J. Koutecký on the occasion of his 65th birthdayGuggenheim Fellow 相似文献
75.
本文合成了10,12-双炔廿三酸,并用其在Si、SiO_2、CaF_2等基片上沉积了LB膜,结果表明,10,12-双炔廿三酸的镉盐成膜更稳定。这种LB膜在紫外光辐照下很快聚合,聚合前后的紫外-可见吸收光谱发生规律性的变化,并保持层状结构,等同周期稍变。通过红外吸收的二向色性分析,确定了该分子的取向。 相似文献
76.
聚类分析法在食品TE分级中应用研究 总被引:1,自引:0,他引:1
用15种食品的Zn、Cu、Fe、Mg含量作分级特征,按聚类分析分级,结果以Zn、Cu、Fe、Mg总量均值最低的蕃茄为Ⅰ级;低的白鸡、鲜牛奶、黄瓜、新会柑、罗岗橙为Ⅱ级;高的精面粉、水豆腐、粉丝、牛肉、鸡蛋、鸭蛋、西洋菜、白芽为Ⅲ级;最高的红豆为Ⅳ级.提示膳食中Zn、Cu、Fe、Mg含量大于供给量标准时可选Ⅲ、Ⅳ级,小于标准选Ⅰ、Ⅱ级,=标准选Ⅰ、Ⅲ级食品.据此认为聚类分析法可用于食品分级,对选择食品、制订食谱、营养治疗、食品科研、研制食品配方等均具有实用价值和指导意义。 相似文献
77.
A novel dynamic headspace gas chromatographic system equipped with a wide bore capillary column was constructed for direct analysis of less volatile components in polymeric materials such as coating paints. With this system, the determination of typical paint additives such as hindered amine light stabilizers and ultraviolet absorbers could be carried out within a short time. 相似文献
78.
对抚州地区秀茶场产的茶叶进行了微量元素测定,提供了五种茶的微量元素谱,同时还对比了秀谷茶场产茶和英德红茶中的微量元素含量的差异。 相似文献
79.
Surface roughness has been considered as a passive means of enhancing species mixing in electroosmotic flow through microfluidic systems. It is highly desirable to understand the synergetic effect of three-dimensional (3D) roughness and surface heterogeneity on the electrokinetic flow through microchannels. In this study, we developed a three-dimensional finite-volume-based numerical model to simulate electroosmotic transport in a slit microchannel (formed between two parallel plates) with numerous heterogeneous prismatic roughness elements arranged symmetrically and asymmetrically on the microchannel walls. We consider that all 3D prismatic rough elements have the same surface charge or zeta potential, the substrate (the microchannel wall) surface has a different zeta potential. The results showed that the rough channel's geometry and the electroosmotic mobility ratio of the roughness elements' surface to that of the substrate, epsilon(mu), have a dramatic influence on the induced-pressure field, the electroosmotic flow patterns, and the electroosmotic flow rate in the heterogeneous rough microchannels. The associated sample-species transport presents a tidal-wave-like concentration field at the intersection between four neighboring rough elements under low epsilon(mu) values and has a concentration field similar to that of the smooth channels under high epsilon(mu) values. 相似文献
80.
采用Hartree-Fock和MP2方法在多种水平下优化了(H2O)^+n(n =1,2)的几何结构,并进行了振动光谱分析。结果表明:对(H2O)^+采用MP2/6-311++G(d,p)可得出最满意的结论。 相似文献