Application of high-performance liquid chromatography diode array detection and mass spectrometry to the analysis of characteristic compounds in various essential oils

A high-performance liquid chromatography (HPLC) method was established using an analytical reversed-phase column and gradient elution to achieve chromatographic separation of typical compounds in essential oils. For detection, a diode array detector monitoring different wavelengths simultaneously as well as a mass spectrometer (MS) were used. Atmospheric pressure chemical ionization operating in the positive mode turned out to be a suitable tool to detect volatiles of different chemical classes and to identify them in essential oil matrices. Characteristic fingerprints of eucalyptus, lavender, may chang, pine, rosemary, thyme, and turpentine essential oils monitored at a representative wavelength (220 nm) demonstrated the suitability of HPLC in essential oil analysis. Additional monitoring wavelengths (210, 250, and 280 nm) provided useful information about the identity of the specific component and opened the possibility to differentiate presumably coeluting compounds by means of their distinct absorption behavior. Finally, peak assignment in seven essential oils was performed on the basis of characteristic retention times and UV and MS data of a broad set of reference volatiles.     

Indirect Measurement of Biologically Important Compounds by Means of X-Ray Microanalysis

 The main objective of our work was to investigate the possibility and usefulness of indirect methods in X-ray microanalysis for the quantification of biologically important compounds. Metallothionein-like proteins (MT-like proteins) from kidney and liver, rich in sulfur were chosen as an indicator of heavy metal presence in cells and their environment. Tissues from goldfish (Carassius auratus gibelio) were sampled after short and prolonged periods of exposure to Co⁺², CrO₄ ⁻², Pb⁺², Cu⁺² and control treatment and prepared for histochemical staining for peroxidated thiolate groups. Commonly used –S–S– bonds dye (Nitro Red) was replaced with iodine atoms and they were quantified at L line by means of X-ray microanalysis combined with SEM. After fish treatments with heavy metal solutions changes in MT-like proteins and in I atom contents were expected. There was statistically significant decrease in MT-like proteins level in kidney after lead treatment (Pb/C = 0.62). In liver a statistically significant increase in MT-like proteins concentration was observed after chromium, cobalt and lead ions treatment in comparison to control animals. The following ratios were noted: 3.04 for Cr/C, 2.18 for Co/C and 2.10 for Pb/C. Our finding indicates that the method of indirect measurement of MT-like proteins in fish and other animal tissues is possible. The concentration of iodine atoms is above their detection level by EDS and their changes are possible to identify. During histochemical procedures it is worth taking into account sample preparation methods which might disturb the quality and quantity of the analysed material.     

Angular response of CR-39 to relativistic heavy ions and high-energy protons

Track etch detectors CR-39 irradiated with relativistic heavy ions (C, Ne, Si and Fe, ) and high-energy protons (35–230 MeV) were etched both chemically and electrochemically. To determine an angular dependence of response in detail (step 1), an arrangement of a single detector bent into a semi-cylindrical form was used. Experimental data were fitted by polynomic functions and the detection efficiencies for isotropic irradiation were calculated. Critical angles of registration were also determined for heavy ions. The possible influence of additional absorbers and radiators was also estimated.     

Localization of a pair of bound particles in a random potential

We study the localization length l_c of a pair of two attractively bound particles moving in a one-dimensional random potential. We show in which way it depends on the interaction potential between the constituents of this composite particle. For a pair with many bound states N the localization length is proportional to N, independently of the form of the two particle interaction. For the case of two bound states, we present an exact solution for the corresponding Fokker–Planck equation and demonstrate that l_c depends sensitively on the shape of the interaction potential and the symmetry of the bound state wave functions.     

The reactions 50,52Cr(d, 6Li) 46,48Ti at Ed = 651 MeV

The ^50,52Cr(d, ⁶Li) ^46,48Ti reactions have been studied at E_d = 65 MeV bombarding energy. Angular distributions of outgoing Li particles were measured for final states in ^46,48Ti nuclei from 15° to 50° (lab). These were compared with zero-range and finite-range DWBA calculations in an α-cluster pick-up approximation to obtain relative α-spectroscopic factors.     

Tools for simulating non-stationary incompressible flow via discretely divergence-free finite element models

We develop simulation tools for the non-stationary incompressible 2D Navier--Stokes equations. The most important components of the finite element code are: the fractional step ?-scheme, which is of second-order accuracy and strongly A-stable, for the time discretization; a fixed point defect correction method with adaptive step length control for the non-linear problems (stationary Navier-Stokes equations); a modified upwind discretization of higher-order accuracy for the convective terms. Finally, the resulting nonsymmetric linear subproblems are treated by a special multigrid algorithm which is adapted to the quadrilateral non-conforming discretely divergence-free finite elements. For the graphical postprocess we use a fully non-stationary and interactive particle-tracing method. With extensive test calculations we show that our method is a candidate for a ‘black box’ solver.     

Synthesis of oligosaccharides corresponding to Vibrio cholerae O139 polysaccharide structures containing dideoxy sugars and a cyclic phosphate

A spacer-equipped tetrasaccharide, p-aminocyclohexylethyl alpha-l-Colp-(1-->2)-beta-d-Galp-(1-->3)-[alpha-l-Colp-(1-->4)]-beta-D-GlcpNAc, containing a 4,6-cyclic phosphate in the galactose residue, has been synthesised. The structure corresponds to a part of the repeating unit of the capsular (and lipo-) polysaccharide of the endemic bacteria Vibrio cholerae type O139 synonym Bengal. The synthetic strategy allows continuous syntheses of the complete O139 hexasaccharide repeating unit as well as of the structurally related repeating unit of serotype O22. Starting from ethyl 2-azido-4,6-O-benzylidene-2-deoxy-1-thio-beta-D-glucopyranoside, a thioglycoside tetrasaccharide donor block was constructed through two orthogonal glycosylations with glycosyl bromide donors. First, a properly protected galactose moiety was introduced using silver triflate as promoter and subsequently the two colitose residues, carrying electron-withdrawing protecting groups for stability reasons, under halide-assisted conditions. The tetrasaccharide block was then linked to the spacer in a NIS-TMSOTf-promoted coupling. Transformation of the azido group into an acetamido group using H2S followed by removal of temporary protecting acetyl groups gave a 4',6'-diol, which was next phosphorylated with methyl dichlorophosphate and deprotected to yield the 4,6-cyclic phosphate tetrasaccharide target structure.     

Fulop-Tsutsui interactions on quantum graphs

We examine scale invariant Fulop-Tsutsui couplings in a quantum vertex of a general degree n. We demonstrate that essentially same scattering amplitudes as for the free coupling can be achieved for two (n−1)-parameter Fulop-Tsutsui subfamilies if n is odd, and for three (n−1)-parameter Fulop-Tsutsui subfamilies if n is even. We also work up an approximation scheme for a general Fulop-Tsutsui vertex, using only n δ function potentials.     

Exchange interactions,spin waves,and transition temperatures in itinerant magnets

This contribution reviews an ab initio two-step procedure to determine exchange interactions, spin-wave spectra, and thermodynamic properties of itinerant magnets. In the first step, the self-consistent electronic structure of a system is calculated for a collinear spin structure at zero temperature. In the second step, parameters of an effective classical Heisenberg Hamiltonian are determined using the magnetic force theorem and the one-electron Green functions. The Heisenberg Hamiltonian and methods of statistical physics are employed in subsequent evaluation of magnon dispersion laws, spin-wave stiffness constants, and Curie/Néel temperatures. The applicability of the developed scheme is illustrated by selected properties of various systems such as transition and rare-earth metals, disordered alloys including diluted magnetic semiconductors, ultrathin films, and surfaces. A comparison to other ab initio approaches is presented as well.