A Closed-Form Relation for Dimension-Dependent Two-Electron Matrix Elements of the Interelectronic Distance

The evaluation of matrix elements of two electron atoms is fundamental for the study of the electronic properties of those systems. We add to this knowledge by presenting an explicit expression for the matrix elements of the inverse of the interelectronic distance of two-electron atoms in any spatial dimension D. The basis functions used are the D-dependent hydrogenic wavefunctions {1s ²,2p ²,3d ²,4f ²,5g ²,...,21y ²,...}, extending and including, in this way, the results of the previous basis set {1s ²,2p ²,3d ²,4f ²}. The methodology used does not employ Fourier integral transforms as in previous works but hypergeometric transformation formulas.     

Use of a database of plots of pesticide retention (R F) against mobile-phase composition.Part I. Correlation of pesticide retention data in normal- and reversed-phase systems and their use to separate a mixture of ten pesticides by 2D TLC

Summary Ten pesticides have been completely separated by two-dimensional (2D) development on TLC plates coated with coupled layers of octadecyl silica (reversed-phase, RP) and plain silica (normal-phase, NP). The binary mobile phases, aqueous-organic for RP chromatography and nonaqueous for NP chromatography, were chosen from plots ofR _F against mobile-phase composition and graphicalR _F(RP)-R _F(NP) correlations. The different selectivity of the RP and NP systems enabled dispersion of spots over the plate area and good separation.     

Forward-scattering degenerate four-wave mixing as a potential laser-based absorption detection method in liquid separation systems: Coupling to conventional-size liquid chromatography

An explorative study on the compatibility of liquid separation systems, such as (micro) liquid chromatography (LC) and capillary electrophoresis (CE), and forward-scattering degenerate four-wave mixing (F-D4WM) as a detection method is presented. F-D4WM is a laser-based technique showing some analogy with holographic spectroscopy: a signal on a theoretical dark background is observed as a result of light absorption by an analyte. Parameters considered are solvent composition focussing on acetonitrile, methanol and water; mobile phases in LC and CE), detector cell construction, and influences of laser beam powers. A specially designed detector cell has been developed to meet the Brewster condition, both at the air-quartz and the quartz-liquid boundaries. For practical reasons, the tested cell has an optical pathlength of 1 mm; reduction to 100 μm is required to apply the cell in microseparations. The F-D4WM technique has been involved for detection in a conventional-size, reversed-phase LC separation of 1- and 2-aminoanthraquinones. The detection limit obtained (for the 1 mm cell) is 2 × 10⁻⁵ absorbance units. The experiments indicate that further reduction of background deserves explicit attention.     

Theoretical methods in thermodynamics of condensed phases

Theoretical possibilities of determining energetic and thermodynamic characteristics of chemical entities in gaseous and condensed (solid and liquid) phases are briefly reviewed. The considerations include quantum chemistry methods which enable evaluation of energetic quantities and statistical thermodynamics dependencies necessary for determining other thermodynamic characteristics. The possible applications of these methods are also discussed in brief.     

Capto-dative Substituent Effects in Syntheses with Radicals and Radicophiles [New synthetic methods (32)]

The 100 yers old Wurster's salts have long been recognized as compounds with redical cations. Their unusual stabilization derives partly form capto-dative (cd) substitution. This principle is now discussed as one factor of radical stabilization and it is applied to simple methine derivatives. cd-Substitution has synthetically useful applications: cd-substituents on a carbon atom allow its selective dehydrodimerization. Olefines with geminal and thus cross-conjugated cd-substituents are “radicophilic” and permit twofold carbon radical addition. cd-Substituted olefines are useful antioxidants, polymerization inhibitors and are promising agents in the control of biological radical reactions. Generally, many reactions of cd-substituted molecules appear to involve radicals.     

Novel alginate-poly(L-histidine) microcapsules as drug carriers: in vitro protein release and short term stability

Spherical, smooth-surfaced and mechanically stable alginate-poly(L-histidine) (PLHis) microcapsules with narrow particle size distributions were prepared by incubating calcium alginate beads in aqueous solutions of PLHis. The in vitro release characteristics, drug loading and encapsulation efficiency of the microcapsules were investigated using bovine erythrocytes hemoglobin (Hb) as a model drug. The results showed that the concentration of Ca(2+) ions had a considerable effect on the drug loading, encapsulation efficiency and in vitro release behavior of the microcapsules. When the concentration of CaCl(2) in the PLHis solution was increased from 0 to 3.0% (w/v), the drug loading and encapsulation efficiency decreased significantly from 38.0 to 4.3% and from 92.9 to 8.0%, respectively, while the total cumulative release of Hb from microcapsules in phosphate buffered saline solution (PBS, pH 6.8) decreased from 96.2 to 72.8% in 24 h. No significant protein release was observed during 70 h of incubation in hydrochloric acid solution (pH 1.2). However, under neutral conditions (PBS, pH 6.8), the Hb was completely and stably released within 24-70 h. An explosion test showed that the stability of alginate-PLHis microcapsules depended strongly on the concentration of PLHis and the calcium ions in solution. [Diagram: see text] Microscopy photo of Hb-loaded alginate-PLHis microcapsules.     

病态分析体系有偏估计的研究

运用广义岭估计和Ｌｉｕｋｅｊｉａｎ提出的有偏估计，对病态分析体系进行了数值模拟和实际光度测定，结果表明，广义岭估计显优于最小二乘估计，Ｌｉｕｋｅｊｉａｎ法有功效，可和为解析病态分析体系的化学计量学方法。     

Polynuclear manganese grids and clusters—A magnetic perspective

High nuclearity paramagnetic, spin-coupled transition metal clusters and grids are fascinating chemists and physicists partly because of their structural beauty, and the challenge of creating them, but also because of their novel physical properties. Magnetic interactions between the spin centers are a primary focus. This review will examine a selection of Mn(II) polynuclear grids and clusters, with nuclearities in the range Mn₄ to Mn₉. Theoretical treatments of the magnetic properties are discussed, and approaches to solving the exchange problem for ‘large’ spin systems related to computational difficulties. A freely available software package (MAGMUN4.1) is presented as a means of dealing simply with spin-coupled clusters in general, and symmetry reduction methods are discussed briefly as a means of dealing with ‘large’ spin systems.     

Amide-water interactions in cosolvent systems. I. Solubilities and apparent molar volumes of methyl paraben

Solubility and apparent molar volume data are used to demonstrate effects of amide alkylation on amide-water interactions at 25° C. Precise measurements were made of the apparent molar volumes of the amides in binary amide-water mixtures using a dilatometric technique. The results show that the apparent molar volumes of alkyl-substituted amides in water pass through a minimum at an amide concentration which varies inversely with the degree of alkylation. Further studies showed that the solubilities of methyl paraben (methyl-p-hydroxybenzoate) and naphthalene in various amide-water solvent systems increased in characteristic fashion with amide alkylation.     

Synthesis and some properties of phosphorus-substituted azomethines

A series of phosphorus(iii)-substituted azomethines and enamines were synthesized by the reaction of lithium salts of aldimines and ketimines with derivatives of phosphorus(iii) acids. Some properties of the compounds synthesized were studied. Translated fromIzvestiya Akademii Nauk. Seriya Khimicheskaya, No. 2, pp. 339–346, February, 1998.