High-Energy Proton-Beam-Induced Polymerization/Oxygenation of Hydroxynaphthalenes on Meteorites and Nitrogen Transfer from Urea: Modeling Insoluble Organic Matter?

Formation and structural modification of oxygenated polycyclic aromatic hydrocarbons (oxyPAHs) by UV irradiation on minerals have recently been proposed as a possible channel of PAH transformation in astrochemical and prebiotic scenarios of possible relevance for the origin of life. Herein, it is demonstrated that high-energy proton-beam irradiation in the presence of various meteorites, including stony iron, achondrite, and chondrite types, promotes the conversion of two representative oxyPAH compounds, 1-naphthol and 1,8-dihydroxynaphthalene, to complex mixtures of oxygenated and oligomeric derivatives. The main identified products include polyhydroxy derivatives, isomeric dimers encompassing benzofuran and benzopyran scaffolds, and, notably, a range of quinones and perylene derivatives. Addition of urea, a prebiotically relevant chemical precursor, expanded the range of identified species to include, among others, quinone diimines. Proton-beam irradiation of oxyPAH modulated by nitrogen-containing compounds such as urea is proposed as a possible contributory mechanism for the formation and processing of insoluble organic matter in meteorites and in prebiotic processes.     

Elucidating heteroatom influence on homonuclear 4J(H,H) coupling constants by DFT/NMR approach

We report the structural dependency of long range scalar J-coupling constant across four bonds as function of the dihedral angles Φ1 and Φ3. The calculated homonuclear coupling constants ⁴J(_H,H), obtained at a density functional theory level, were measured between C(1)─X(2) and X(2)─C(3) bonds in three-term models, where C, N, O, and S were systematically used as the second atom of the alkyl structures ( 1 - 4 ). The ⁴J_(H,H) calculated values, tabulated for variation of 30° for both Φ1 and Φ3, have disclosed an unexpected detectable coupling constant (⁴J(_H,H) ≥ 1 Hz) across heteroatoms, useful to provide valuable structural information. A 2-methyl-1,3-dithiane sulfide ( 5 ) was used as a case study to prove the applicability and reliability of the calculated values to real issues. The ⁴J(_H,H) values obtained at density functional theory for the system 4 have reproduced with good accuracy an unexpected experimental ⁴J(_H2ax-H4ax) = 1.01 Hz of sulfide molecule ( 5 ), suggesting these calculated coupling constant values as a new powerful tool for the organic synthesis and stereochemical analysis.     

Isolement et identification de l'acide furfurique,nouvelle depsidone du lichen Pseudevernia furfuracea (L.) Ach

Isolation and Identification of Furfuric Acid a New Depsidone from the Lichen Pseudevernia furfuracea (L.) Ach. The structure of furfuric acid, ( 1 ), a new depsidone, isolated from the lichen Pseudevernia furfuracea (L.) Ach. has been established as 4-formyl-3,8-dihydroxy-9-(2,4-dihydroxy-5-methoxycarbonyl-3,6-dimethylbenzyl)-1,6-dimethyl-11-oxo-11H-dibenzo[b,e][1,4]dioxepin-7-carboxylic acid by spectral and chemical methods.     

Selective epoxidation of monoterpenes with H2O2 and polymer-supported methylrheniumtrioxide systems

A convenient and efficient synthesis of monoterpene epoxides by application of heterogeneous poly(4-vinylpyridine)/methyl rhenium trioxide (PVP/MTO) and polystyrene/methyl rhenium trioxide (PS/MTO) systems is described. Even highly sensitive terpenic epoxides were obtained in excellent yield. Environment friendly, easily available, and low cost H₂O₂ was used as oxidant. Catalysts were stable systems for at least five recycling experiments.     

Atomistic modeling of surface and bulk properties of Cu, Pd and the Cu–Pd system

The BFS method for alloys is applied to the study of the Cu–Pd system. A variety of issues are analyzed and discussed, including the properties of pure Cu or Pd crystals (surface energies, surface relaxations), Pd/Cu and Cu/Pd surface alloys, segregation of Pd (or Cu) in Cu (or Pd), concentration dependence of the lattice parameter of the high temperature fcc CuPd solid solution, the formation and properties of low temperature ordered phases, and order–disorder transition temperatures. Emphasis is made on the ability of the method to describe these properties on the basis of a minimum set of BFS universal parameters that uniquely characterize the Cu–Pd system.     

The Einstein-Yang-Mills equations

The interaction between gravitational and gauge fields is considered. A new characterization of the Einstein-Yang-Mills equations is given. In particular, necessary and sufficient conditions which ensure the decomposition of the total Lagrangian density are established. The emphasis is on the general covariance requirements of the basic geometrical objects involved. This leads, among other things, to a better understanding of the role played by the Bianchi identity.     

Remarks on bifurcation for elliptic operators with odd nonlinearity

On estimating the eigenvalues for a class of semilinear elliptic operators, we obtain bifurcation and comparison results concerning the eigenvalues of some related linear problem.     

Looking for SUSY with EDELWEISS-I and-II

The latest results obtained by the EDELWEISS WIMP (weakly interacting massive particles) direct detection experiment using three heat-and-ionization 320-g germanium bolometers are given. Presently the most sensitive WIMP direct detection experiment for WIMP mass >30 GeV, EDELWEISSI is testing a first region of SUSY models compatible with accelerator constraints. The status and main characteristics of EDELWEISS-II, involving in a first stage 28 germanium bolometers and able to accommodate up to 120 detectors, are briefly presented, together with neutron background estimates.     

Thermal evolution and aging of Co-sputtered iron-tin thin films

The composition, structure, magnetic properties and stability of iron-tin thin films produced by co-evaporation with de magnetron sputtering are studied. Rutherford backscattering. Auger electron spectroscopy. X-ray diffraction and conversion electron Mössbauer spectroscopy indicate the formation of a homogeneous solid solution of tin in iron with a concentration well above the limit of equilibrium solid solubility. Measurements with a vibrating-sample magnetometer show that the films present saturation magnetization and remanence similar to those of pure iron, but a much smaller coercivity. Thermal treatment or aging lead to second-phase precipitation, which is accompanied by a growth of coercivity and remanence.     

Adapted numerical modelling of the Belousov–Zhabotinsky reaction

Adapted numerical schemes for the integration of differential equations generating periodic wavefronts have reported benefits in terms of accuracy and stability. This work is focused on differential equations modelling chemical phenomena which are characterized by an oscillatory dynamics. The adaptation is carried out through the exponential fitting technique, which is specially suitable to follow the apriori known qualitative behavior of the solution. In particular, we have merged this strategy with the information coming from existing theoretical studies and especially the observation of time series. Numerical tests will be provided to show the effectiveness of this problem-oriented approach.