Interference-free determination of Sudan dyes in chilli foods using second-order calibration algorithms coupled with HPLC-DAD

This paper presents a new method for the determination of Sudan dyes contained in hot chilli samples. The method employs second-order calibration algorithms to handle the recorded data. The second-order calibration algorithms are based on the popular parallel factor analysis (PARAFAC), alternating trilinear decomposition (ATLD) and self-weighted alternating trilinear decomposition (SWATLD), respectively. These chemometric methodologies have the second-order advantage, which is the ability to get accurate concentration estimates of interested analytes even in the presence of uncalibrated interfering components. The results on a set of spiked chilli test shows that low contents of Sudan I and Sudan II in complex chilli mixtures can be accurately determined using the new method. The sample preparation was based on solvent extraction, and internal standard was not required. Quantification was carried out with simple mobile phase.     

Nonideal mixing of 16-(9-anthroyloxy) palmitic acid and fatty acid in monolayer

The surface pressure-molecular area curve of the mixed monolayer of 16-(9-anthroyloxy) palmitic acid (16AP) and fatty acid (palmitic or stearic acids) showed various kink points which indicated the phase transitions of the monolayer. On the basis of the surface phase rule, the phase diagrams of the mixed monolayer were elucidated. The bifunctional molecule, 16AP, takes two orientations in a monolayer state, that is, horizontal and vertical ones. Horizontally oriented 16AP and vertically oriented fatty acid form a mixed monolayer but this exhibits deviation from the ideal mixing, which was interpreted in terms of the surface regular solution theory. On the other hand, the 16AP molecule in the vertical state was found to be immiscible with the fatty acid molecule in a monolayer de spite both molecules being vertical to the surface and parallel to each other. This was caused by the participation of the 9-anthroyloxy moiety of 16AP in the interaction of 16AP and fatty acid in the hydrophobic region of the monolayer.     

Repleteness and regular lattice measures

Let X be an abstract set and L a lattice of subsets of X. To each lattice regular measure µ, we associate two induced measures and on suitable lattices of the Wallman space IR(L) and another measure µ on the spaceIR(L). We will investigate the reflection of smoothness properties of p onto , and µ; and try to set some new criterion for repleteness and measure repleteness.     

Some exact expressions for the mean and higher moments of functions of sample moments

Examples of exact expressions for the moments (mainly of the mean) of functions of sample moments are given. These provide checks on alternative developments such as asymptotic series for n, and simulation processes. Exact expressions are given for the mean of the square of the sample coefficient of variation, particularly in uniform sampling; Frullani integrals studied by G. H. Hardy arise. It should be kept in mind that exact results for (joint) moment generating functions (mgfs) are of interest as they produce a means of obtaining exact results for (cross) moments—including moments with negative indices. Thus an exact expression for the joint mgf of the 1st two noncentral moments can be used to obtain the mean of the (c.v.)² (but not for the mean of the c..). A general expression is given for the moment generating function of the sample variance. The limitations of Fisher's symbolic formula for the characteristic function of sample moments (or more general statistics) are noted.This research was sponsored by the Applied Mathematical Sciences Research program, Office of Energy Research, U. S. Department of Energy under contract DE-AC0584OR21400 with the Martin Marietta Energy Systems. Inc.     

Variation of physicochemical properties in the aggregates of structual isomers

The regions of variation of density, enthalpy of formation, and detonation velocity of all of the formally possible structual isomers were determined for several molecular formulas of C,H,N,O-containing explosives. The histograms of the distribution of the structual isomers over these parameters were constructed.Translated fromIzvestiya Akademii Nauk. Seriya Khimicheskaya, No. 5, pp. 859–862, May, 1995.The authors are grateful to Mrs. I. D. Solodukhina for the design of the graphical material.The work was carried out with the financial support of the Russian Foundation for Basic Research (Project No. 94-03-09323).     

Elimination of the diagonalization bottleneck in parallel Direct-SCF methods

Summary It is shown that the matrix diagonalization bottleneck associated with thesequential O(N _BFN ³ ) diagonalization of the fock matrix within each iteration of the Direct-SCF procedure may be eliminated, and replaced instead with a combination ofparallel O(N _BFN ^<4 ) andsequential O(N _Sub ³ ) steps. For large basis sets, the relation N_Sub N_BFN between the dimension of the expansion subspace and the number of basis functions leads to a method of wave-function optimization in which the sequential bottleneck is eliminated. As a side benefit, the second-order iterative procedure on which this method is based displays superior convergence properties, and provides greater insight into the behavior of the energy with respect to orbital variations, than the traditional first-order, fixed-point, iterative approaches. The implementation of this method may be incorporated into essentially any existing Direct-SCF program with only minimal, and localized, changes.     

Resonance Rayleigh scattering, frequency doubling scattering and second-order scattering spectra of the heparin-crystal violet system and their analytical application

In pH 6.0-11.2 Britton-Robinson buffer solution, binding of heparin with crystal violet (CV) can result in a significant enhancement of resonance Rayleigh scattering (RRS) and resonance non-linear scattering, such as frequency doubling scattering (FDS) and second-order scattering (SOS). Their maximum scattering wavelengths, λ_ex/λ_em, appear at 492 nm/492 nm for RRS, 984 nm/492 nm for FDS and 492 nm/984 nm for SOS, respectively. The optimum conditions of the reaction, the influencing factors and the relationship between the three scattering intensities and the concentration of heparin have been investigated. New methods for the determination of trace amounts of heparin based on the RRS, FDS and SOS methods have been developed. The methods exhibit high sensitivities, the detection limit for heparin is 2.9 ng ml⁻¹ for the RRS method, 3.5 ng ml⁻¹ for the FDS method and 3.3 ng ml⁻¹ for the SOS method. The methods have good selectivity and were applied to the determination of heparin in heparin sodium injection samples with satisfactory results.     

Preparation,crystal structure,and physical characterization of a new hybrid material (C5H9N3)ZnCl4·H2O

An organic–inorganic hybrid compound (C₅H₉N₃)ZnCl₄ · H₂O was synthesized by slow evaporation and characterized by single-crystal X-ray diffraction, differential scanning calorimetry, thermogravimetry, temperature-dependent X-ray powder diffraction, infrared spectroscopy, and some preliminary theoretical calculations of non-linear optic activity. The compound crystallizes in the non-centrosymmetric space group Pca2₁ with unit cell parameters: a = 22.714(5), b = 7.313(5), c = 7.301(5) Å, Z = 4, and V = 1212.8(12) ų. The structure was solved using direct methods and refined by least-squares analysis [R ₁ = 0.0484 and wR ₂ = 0.1255]. It is built from isolated [ZnCl₄]^2? anions, 2,5-diaminopyridinediium [C₅H₉N₃]²⁺ cations, and water molecules which are connected by a 3-D hydrogen-bond network. Thermodiffractometry and thermogravimetric analyses indicate that its decomposition proceeds through four stages leading to a new crystalline anhydrous phases.     

Global attractor for the Navier–Stokes equations with the heat convection in a cylindrical pipe

Global existence of regular solutions to the Navier–Stokes equations coupled with the heat convection in a cylindrical pipe has already been shown. In this paper, we prove the existence of the global attractor to the equations and convergence of their solutions to a stationary one. Copyright © 2012 John Wiley & Sons, Ltd.