Application of a modified simplex method to the multivariable optimization of a new FIA system for the determination of osmium

A methodology based on the coupling of experimental design and a modified simplex method is proposed for the optimization of a new flow injection-kinetic system for the spectrophotometric determination of Os (IV) with m-acetylchlorophosphonazo, which has for the first time been used as chromogenic reagent in the quantitative analysis of this element. An orthogonal array design is utilized to design the experimental protocol, in which six variables are varied simultaneously, and obtain the initial simplex using 25 experiments. A modified simplex method is applied to continuously optimize the data of the orthogonal array design; the search for optimum conditions of 6 variables using the modified simplex method required only 25 experiments. The efficiency and simplicity of the coupling of the experimental design and the modified simplex method are attractive for the development of new analytical methods. The method has been applied to the determination of Os (IV) in a refined ore as well as in a secondary alloy and provided satisfactory results.     

Voltammetric determination of buspirone

The electroanalytical chemical properties of buspirone are reported in this paper. A sensitive single sweep voltammetric procedure for trace buspirone determination was developed. The detection limit is 5.0 x 10(-9)M. The method has been applied to the determination of buspirone in blood serum by simple dilution in a buffer.     

Binding Reaction of Hemin with Chloroquine, Quinine and Quinidine in Water-propylene Glycol Mixture

the interaction of hemin with chloroquine,quinine and quinidine was investigated in 50% water-propylene glycol mixture at pH=9,8.1,7.4 and 6.8using a spectrophotometric method.The data could be well fitted into a model consistent with the formation of a 1:1 complex between the reacting partners.In addition,the results indicated that hemin complexed more strongly with quinidine than with chloroquine and quinine,and the binding constants were pH-dependent.Moreover,it was proved that the water-propylene glycol mixture is well suitable to the study of the systems containing hemin and quinolinebased drugs.     

Adsorption of Gaseous Hydrocarbons on the Surface of Modified Petroleum-Polymeric Resins

The kinetics of adsorption of model hydrocarbons (benzene, toluene, ethyl benzene, isopropyl benzene, cyclohexane) from the gas phase on the surface of ozonized and maleized petroleum-polymeric resins was studied. The dependences of the dynamic equilibrium capacity of the petroleum-polymeric resins and of the adsorption kinetic parameters on the composition of the adsorbent-adsorbate system were elucidated.__________Translated from Zhurnal Prikladnoi Khimii, Vol. 78, No. 2, 2005, pp. 245–248.Original Russian Text Copyright © 2005 by Bondaletov, Troyan, Chernov, Bannikova, Dmitrieva.     

Nonadiabatic alignment of asymmetric top molecules: rotational revivals

The rotational revival structure of asymmetric top molecules, following irradiation by an intense picosecond laser pulse, is explored theoretically and experimentally. Numerically we solve nonperturbatively for the rotational dynamics of a general asymmetric top subject to a linearly polarized intense pulse, and analyze the dependence of the dynamical alignment on the field and system parameters. Experimentally we use time-resolved photofragment imaging to measure the alignment of two molecules with different asymmetry, iodobenzene, and iodopentafluorobenzene. Our numerical results explain the experimental observations and generalize them to other molecules. The rotational revival structure of asymmetric tops differs qualitatively from the intensively studied linear top case. Potentially it provides valuable structural information about molecules.     

An in situ atomic force microscopy study of uric acid crystal growth

Kidney stones are heterogeneous polycrystalline aggregates that can consist of several different building blocks. A significant number of human stones contain uric acid crystals as a crystalline component, though the molecular-level growth of this important biomaterial has not been previously well-characterized. In the present study, in situ atomic force microscopy (AFM) is used to investigate the real-time growth on the (100) surface of uric acid (UA) single crystals as a function of fundamental solution parameters. Layer-by-layer growth on UA (100) was found to be initiated at screw dislocation sites and to proceed via highly anisotropic rates which depend on the crystallographic direction. The smallest b-steps exhibited minimum heights corresponding to two molecular layers, while fast-moving c-steps more commonly showed monolayer heights. Growth kinetics measured under a range of flow rates, supersaturation levels, and pH values reveal linear trends in the growth kinetics, with faster growth attained in solutions with higher supersaturation and/or pH. The calculated kinetic parameters for UA growth derived from these experiments are in good agreement with the values reported for other crystal systems.     

Application of a spin-adapted coupled-cluster based linear response theory: Direct calculation of π -π* singlet and triplet excitation energies of conjugated systems

A procedure is tested for directly calculating exciation energies for spin-conserving and spin-forbidden transitions using a spin-adapted coupled-cluster based linear response theory. The excited states are generated from the ground state through an excitation operator S, a combination of various nh—np excitations of spin-rank zero and one for singlet and triplet excitations.     

Spectrophotometric determination of aluminium with chlorophosphonazo I

Aluminium reacts with Chlorophosphonazo I at pH 4-6 to form a water-soluble 1:1 red-violet complex. The absorption maximum is at 610 nm and the apparent molar absorptivity is 1.96 x 10(4) l.mole(-1).cm(-1). The apparent instability constant has been calculated to be 1.8 x 10(-4). The colour of the complex is stable for 24 hr. Beer's law is obeyed over the concentration range up to 0.8 mug ml . Titanium and zirconium interfere seriously.     

Luminescence Quenching between Ce and Eu in LAB3O6

The Ce³⁺ and Eu³⁺ ions in LaB₃O₆ quench each other's luminescence. However, Ce³⁺ quenches Eu³⁺ more effectively than Eu³⁺ quenches Ce³⁺. The critical distances for this quenching are about 15 and 6 Å respectively.