Free radical activity of mineral fibres containing adsorbed ferritin: Detection using supercoiled DNA

Mammalian ferritin was found to adsorb strongly, from aqueous solutions, onto the amphibole group minerals amosite and crocidolite. The mineral fibres containing adsorbed ferritin were found to show high free-radical activity leading to radical damage to DNA, which was quantified by electrophoretic assays with the pCSI2 plasmid. The results are discussed in terms of possible implications in the pathogenicity of asbestos bodies which are formed in vivo after inhaling mineral fibres, and which often contain endogenous ferritin in their coatings.     

Pion interferometry in jet events at the CERN Intersecting Storage Rings

We have revised the additive quark model for inelastic hadronic cross sections with its implications to the average charged multiplicities. The correction to the additive quark model is on the level of 2 mb only if we take into account all possible quark-quark cross sections with respect to flavour. The quark-quark constitutent cross sections have been evaluated. We have attributed average charged multiplicities to the constituent quark cross sections and have found some regularities according to the flavour of the quarks.     

Double parton scattering inpp collisions at\sqrt s = 63 GeV

In a study ofpp collisions at \(\sqrt s = 63\) GeV with more than 29 GeV total transverse energy emitted into 1.8 units of rapidity in the central region, we have extracted a sample of 4-jet events and compared it with models of the two sources of 4-jet production: double bremsstrahlung and double parton scattering. The data cannot be described by bremsstrahlung alone, and we extract the fraction of 4-jet events attributed to double parton scattering for various definitions of the 4-jet sample. We determine the double parton scattering/2-jet yield ratio, and this leads to a determination of the proton radius. We discuss the implications of our observations for the general understanding of high-ΣE _T events.     

Heat capacity of MnAs0.88P0.12 from 10 to 500 K: Thermodynamic properties and transitions

The heat capacity of MnAs_0.88P_0.12 has been measured by adiabatic shield calorimetry from 10 to 500 K. It is shown that very small energy changes are connected with two magnetic order-order transitions, indicating that these can be regarded as mainly “noncoupled” magnetic transitions. At higher temperatures contributions to the excess heat capacity arises from a magnetic order-disorder transition, a conversion from low- to high-spin state for manganese, and a MnP- to NiAs-type structural transition. The observed heat capacity is resolved into contributions from the different physical phenomena, and the character of the transitions is discussed. In particular it is substantiated that the dilational contribution, which includes magnetoelastic and magnetovolume terms as well as normal anharmonicity terms, plays a major role in MnAs_0.88P_0.12. The entropy of the magnetic order-disorder transition is smaller than should be expected from a complete randomization of the spins, assuming a purely magnetic transition. Thermodynamic functions have been evaluated and the respective values of C_p, {S^O_m(T) - S^O_m(0)}, and -{G^O_m(T) - H^O_m(0)}/T at 298.15 K are 68.74, 72.09, and 32.30 J K⁻¹ mole⁻¹, and at 500 K 56.05, 108.12, and 56.64 J K⁻¹ mole⁻¹.     

Variable temperature infrared spectroscopy: a convenient tool for studying the thermodynamics of weak solid-gas interactions

This tutorial review describes the use of variable temperature infrared spectroscopy of adsorbed species (VTIR), a recent method for studying the thermodynamics of weak solid-gas interactions. Examples show how a fundamental relationship of thermodynamics (the van't Hoff equation, used long since in several fields of physical chemistry) can describe equilibrium processes at the solid-gas interface. The VTIR method is fully exploited by measuring absorbance of an IR band, temperature and pressure over a wide temperature range: an estimation of the interaction energy is, however, possible even ignoring the equilibrium pressure. Precise thermodynamic characterization of solid-gas interactions is required in several fields: on the applied side, gas sensing, separation and storage, which involve such areas as work-place security, air pollution control and the energy sector; regarding fundamental knowledge, weak solid-gas interactions are relevant to a number of fields, including hydrogen bonding, coordination chemistry and surface phenomena in a broad sense.Infrared (IR) spectroscopy of (gas) molecules adsorbed on a solid is frequently used to characterize both, the adsorbed species and the adsorbing centres at the solid surface. The potential of the technique can be greatly enhanced by obtaining IR spectra over a temperature range, and simultaneously measuring IR absorbance, temperature and equilibrium pressure. When this is done, variable temperature infrared (VTIR) spectroscopy can be used not only for a more detailed surface characterization, but also for precise studies on the thermodynamics of solid-gas interactions. Furthermore, when weak interactions are concerned, the technique shows favourable features compared to adsorption calorimetry, or to other classical methods. The potential of the VTIR method is highlighted by reviewing recently reported studies on dihydrogen, dinitrogen and carbon monoxide adsorption on zeolites. To facilitate understanding, an outline of the basis of the method is also given, together with an appraisal of the critical points involved in its practical use.     

Molecular Structure of ortho-Fluoronitrobenzene Studied by Gas Electron Diffraction and Ab Initio MO Calculations

The molecular structure of ortho-fluoronitrobenzene (o-FNB) has been investigated by gas-phase electron diffraction and ab initio MO calculations. The geometrical parameters and force fields of o-FNB were calculated by ab initio and DFT methods. The obtained force fields were used to calculate vibrational amplitudes required as input parameters in an electron diffraction analysis. Within the experimental error limits, the geometrical parameters obtained from the gas-phase electron diffraction analysis are mostly in agreement with the results obtained from the ab initio calculations. The main results are: the molecular geometry of o-FNB is nonplanar with a dihedral angle about C–N of 38(3)°. The r _g (C–F) bond is shortened to 1.307(13) Å in comparison with r _g (C–F) = 1.356(4) Å in C₆H₅F.     

On the calculation of dipole moment and polarizability derivatives by the analytical energy gradient method: Application to the formaldehyde molecule

Following the suggestion of Komornicki and McIver we have implemented an efficient computational scheme for the evaluation of dipole moment and polarizability derivatives at the Hartree-Fock SCF level. The derivatives are obtained by utilizing the analytical gradients of the molecular energy, calculated in the presence of an external electric field, with respect to the atomic cartesian coordinates, which are differentiated numerically with respect to the field. The implementation of the method within the framework of the MOLECULE program is discussed, concentrating on such aspects as numerical accuracy, utilization of molecular symmetry and computational efficiency. As an application, the dipole moment and polarizability derivatives of the formaldehyde molecule have been calculated, yielding infrared intensities and Raman scattering activities in the double harmonic approximation. The theoretical results are compared with the available experimental data; the agreement is satisfactory given the inherent restrictions of the SCF model.     

Identification of fatty acids in gas chromatography by application of different temperature and pressure programs on a single capillary column

A method for the identification of fatty acid methyl esters (FAME) based on the analysis of shifts in equivalent chain lengths (ECL) is described. The method is based on two-dimensional retention data achieved on one capillary column. Various temperature and pressure programs are applied on the same cyanopropyl column and the shifts in the ECL values are analysed by multivariate methods. The chain length, number of double bonds, and the double bond positions can be determined with high accuracy. The same procedure is suitable for determination of the number of trans and cis double bonds in trans fatty acids, and for detection of artefacts in fatty acid methyl ester chromatograms.     

Photoacoustic spectroscopy on ammonium sulphate and glucose powders and their aqueous solutions using a Co2 laser

Using a tunable CO₂ laser, we demonstrate the feasibility of photoacoustic spectroscopy on liquid and solid samples in the middle infrared. Spectra are recorded from glucose and ammonium sulphate powders and their aqueous solutions. A spectral feature, tentatively identified as the v₁ mode of SO₄, is observed in ammonium sulphate for the first time. It is shown that a differential technique presently allows the detection of ammonium sulphate in water down to approximately 100 mg/

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