Advantages of NIR radiation use for optical determination of skin horny layer thickness with embedded TiO2 nanoparticles during tape stripping procedure

The tape stripping technique is an experimental method frequently used for reconstruction of the in-depth distribution of various topically administered substances within the horny layer of human skin, e.g., compounds contained in sunscreens. Titanium dioxide (TiO₂) nanoparticles (25–200 nm in diameter) are one such compound. Optical techniques which apply blue light are found to be suitable for reconstruction. However, the presence of particles affects the light propagation within the skin and therefore causes incorrect determination of strip thickness, leading to an improper reconstructed distribution of nanoparticle concentration revealed from the experimental data. This study evaluates the errors emerging from the use of blue (400 nm) and NIR (800 nm) radiation and finds the use of longer wavelength light more advantageous. Particles of different diameters are considered, and it is revealed that the application of small particles (25–60 nm) results in the lowest rate of error.     

Direct C–H arylation of 3-methoxythiophene catalyzed by Pd. Application to a more efficient synthesis of π-alkoxy-oligothiophene derivatives

The direct regioselective C–H arylation of 3-methoxythiophene and 3,4-ethylenedioxythiophene (EDOT) was performed successfully under ‘Heck-type’ experimental conditions. This novel synthetic methodology has been used to prepare in a more simple way a series of oligothiophenes interesting for the electronic industry to build new synthetic organic materials.     

Stereocontrolled spirocyclic bislactams derived from pyroglutamic acid

The synthesis of rigid spirocyclic bislactams derived from pyroglutamic acid has been established.     

Hydrogen peroxide promoted hydroxylation of haloarenes and heteroarenes

Addition of aqueous hydrogen peroxide significantly accelerates the substitution reactions of hydroxide salts with haloarenes bearing electron withdrawing substituents. A similar effect is observed in the reactions of hydroxide salts with halogenated heteroarenes. Reactions are carried out in water or water-THF at ambient temperature or at 50-60 °C.     

Portable and Automatic Mössbauer Analysis

A portable Mössbauer spectrometer, developed for extraterrestrial applications, opens up new industrial applications of MBS. But for industrial applications, an available tool for fast data analysis is also required, and it should be easy to handle. The analysis of Mössbauer spectra and their parameters is a barrier for the popularity of this wide-applicable spectroscopic technique in industry. Based on experience, the analysis of a Mössbauer spectrum is time-consuming and requires the dedication of a specialist. However, the analysis of Mössbauer spectra, from the fitting to the identification of the sample phases, can be faster using by genetic algorithms, fuzzy logic and artificial neural networks. Industrial applications are very specific ones and the data analysis can be performed using these algorithms. In combination with an automatic analysis, the Mössbauer spectrometer can be used as a probe instrument which covers the main industrial needs for an on-line monitoring of its products, processes and case studies. Some of these real industrial applications will be discussed.     

Structures and stability of Al<Subscript><Emphasis Type="Bold">7</Emphasis></Subscript>C and Al<Subscript><Emphasis Type="Bold">7</Emphasis></Subscript>N clusters

We report results of the atomic and electronic structures of Al₇C cluster using ab initio molecular dynamics with ultrasoft pseudopotentials and generalized gradient approximation. The lowest energy structure is found to be the one in which carbon atom occupies an interstitial position in Al₇ cluster. The electronic structure shows that the recent observation [Chem. Phys. Lett. 316, 31 (2000)] of magic behavior of Al₇C^- cluster is due to a large highest occupied and lowest unoccupied molecular orbital (HOMO-LUMO) gap which makes Al₇C^- chemically inert. These results have further led us to the finding of a new neutral magic cluster Al₇N which has the same number of valence electrons as in Al₇C^- and a large HOMO-LUMO gap of 1.99 eV. Further, calculations have been carried out on (Al₇N)₂ to study interaction between magic clusters. Received 28 July 2001     

Resummation of the jet broadening in DIS

We calculate the leading and next-to-leading logarithmic resummed distribution for the jet broadening in deep inelastic scattering, as well as the power correction for both the distribution and mean value. A truncation of the answer at NLL accuracy, as is standard, leads to unphysical divergences. We discuss their origin and show how the problem can be resolved. We then examine DIS specific procedures for matching to fixed order calculations and compare our results to the data. One of the tools developed for the comparison is an NLO parton distribution evolution code. When compared to PDF sets from MRST and CTEQ it reveals limited discrepancies in both. Received: 16 October 2001 / Published online: 12 April 2002     

Gluon jets from quarkonia

A detailed analysis is made within perturbative QCD of the decays into gluon jets of P-wave and S-wave quarkonia (J^PC = 0⁺⁺, 1⁺⁺, 2⁺⁺, 1^+? and 0^?+, 1^??). For all those states we compute to leading non-trivial order in α_s the conventional fraction f(?, δ) of the jet-like hadronic final states, characterized by the back-to-back cone of half angle δ, in which all but a small fraction ? of the total energy is emitted. To the same order we give also the average values of thrust momenta and spherocity distributions.