Chemi-ionization in K-I collisions

Accurate partial and integral cross sections for chemi-ionization have been calculated for a two-state model representing collisions between ground state K and I atoms from threshold to 6 eV relative energy using a coupled equations method. In addition, these quantities have been calculated in the Landau-Zener and Stueckelberg approximations. They furnish results for the charge transfer channel which agree with the accurate ones, down to the threshold energy, to within 7%. The integral cross sections for charge neutralization are obtained from the ionization cross sections by microscopic reversibility, and it diverges asE ^?1.     

Excitation of the magnesium 2p 6 configuration in Mg+-He collisions

Excitation to the 1s ² 2s ² 2p ⁵ 3p configuration in Mg III has been studied with optical spectrometry in the Mg⁺-He collision from 15 to 75 keV. The results are discussed and compared with the theory of Barat and Lichten, which predicts no such excitation. A possible explanation by Coulomb excitation is given.     

Nucleic acid-metal interactions. III. Complexes of Ag(I) with adenine and 1-methyladenine from studies of UV and IR dichroic spectra

Attempts to characterize nucleic acid-silver interactions raise questions about how the free nucleic acid bases interact with silver ions in dilute aqueous solution. Studies of ultraviolet and infrared dichroism lead to the conclusion that with silver(I) ions in dilute solution adenine forms linear polymers, whereas 1-methyladenine forms dimers. The composition and structure of the complexes are further discussed against the background of the spectroscopic results.     

Measuring inter-DNA potentials in solution

Interactions between short strands of DNA can be tuned from repulsive to attractive by varying solution conditions and have been quantified using small angle x-ray scattering techniques. The effective DNA interaction charge was extracted by fitting the scattering profiles with the generalized one-component method and inter-DNA Yukawa pair potentials. A significant charge is measured at low to moderate monovalent counterion concentrations, resulting in strong inter-DNA repulsion. The charge and repulsion diminish rapidly upon the addition of divalent counterions. An intriguing short range attraction is observed at surprisingly low divalent cation concentrations, approximately 16 mM Mg2+. Quantitative measurements of inter-DNA potentials are essential for improving models of fundamental interactions in biological systems.     

Applications of linear Dichroism Spectroscopy

Abstract

Linear dichroism is the phenomenon of anisotropic absorption of light. It is shown by materials containing oriented molecules for which the absorption varies with the direction. The absorption intensity is proportional to the square of the scalar product between the electric field vector of the light and a molecule-characteristic transition moment vector, the absorption being maximum when the light vector is polarized parallel to the transition moment and zero when perpendicular to it. Linear dichroism can therefore provide (1) directions of transition moments when the molecule orientation is known (spectroscopic applications), or (2) information on molecular orientation when the transition moments are known (structural applications). Both applications are useful in several chemical systems, but so far the use of linear dichroism has been confined to a relatively small number of specialized laboratories, not least because of a lack of appropriate commercial instruments. Plane-polarized spectra have long been measured on crystals and other well-oriented materials, but systems with less complete orientation have usually been studied by birefringence which has allowed greater sensitivity. Birefringence and linear dichroism are related by the dispersion equations and therefore in principle contain the same basic information. However, linear dichroism is better suited for practical use since it is related in a very simple way to more-or-less well-separated quantal transitions, while birefringence is a complicated average over all transitions in the molecule.     

Structural classification of acyl-substituted Quillaja saponins by electrospray ionisation ion trap multiple-stage mass spectrometry in combination with multivariate analysis

Thirty-eight saponins in two chromatographic fractions (QH-B and QH-C) from Quillaja saponaria Molina have been separated by a two-step high-performance liquid chromatography (HPLC) procedure and investigated by electrospray ionisation ion trap multiple-stage mass spectrometry (ESI-ITMS(n)) in positive ion mode. MS(2) and MS(3) spectra of the compounds were investigated by principal component analysis (PCA) and could be classified by partial least squares - discriminant analysis (PLS-DA) according to the structures of the oligosaccharides at C-3 and C-28 of the saponins. Four minor components with novel structures were found in a previously non-investigated fraction of QH-C. The structures of two of these components, J1 and J1a, were predicted by PLS-DA whereas the structures of the two others, J2 and J3, were only partly predicted. The structures of J1 and J1a were composed of structural elements found in the 34 known saponins whereas a new acyl substituent, not included in the training set used for calibration of the PLS-DA models, was found in J2 and J3, making these two components outliers. The complete structures of the four components were confirmed by monosaccharide analysis, MS(n) data and (1)H NMR spectroscopy.     

Chemical surface modifications of microfibrillated cellulose

Microfibrillated cellulose (MFC) was prepared by disintegration of bleached softwood sulphite pulp through mechanical homogenization. The surface of the MFC was modified using different chemical treatments, using reactions both in aqueous- and organic solvents. The modified MFC was characterized with fourier transform infrared spectroscopy (FTIR), X-ray photoelectron spectroscopy (XPS) and transmission electron microscopy (TEM). Epoxy functionality was introduced onto the MFC surface by oxidation with cerium (IV) followed by grafting of glycidyl methacrylate. The length of the polymer chains could be varied by regulating the amount of glycidyl methacrylate added. Positive charge was introduced to the MFC surface through grafting of hexamethylene diisocyanate, followed by reaction with the amines. Succinic and maleic acid groups could be introduced directly onto the MFC surface as a monolayer by a reaction between the corresponding anhydrides and the surface hydroxyl groups of the MFC.