Synthesis,stereochemistry and conformational properties of diastereomeric cyclic dipeptides containing tetrahydro-1,4-thiazine-3,5-dicarboxylic acid

The synthesis of linear dipeptides containing N-protected L-phenylalanine and (3R-cis)-tetrahydro-1,4-thiazine-3,5-dicarboxylic acid dialkyl diester residues is described. N-Deprotection of these dipeptides by hydrogenolysis on palladium afforded directly a mixture of cis and trans dioxopiperazines. The stereochemistry and the solution conformational properties of the cyclic dipeptides are determined.     

NLO inspired effective Lagrangians for Higgs physics

Either late autumn this year or latest early next year ATLAS/CMS should have results with 2–3 times the current data which might give first clues on the couplings of the light narrow resonance discovered at the LHC in July 2012, compatible with the Higgs boson of the Standard Model. A strategy for measuring deviations from the Standard Model can be based on using the “full” Standard Model, including all available QCD and electroweak higher-order corrections, and supplement it with d=6$d=6$ local operators. Their Wilson coefficients are assumed to be small enough that they can be treated at leading order. Examples of the connection of local operators with BSM Lagrangians are presented as well as a discussion of Lagrangians with/without decoupling of heavy degrees of freedom. The whole strategy is critically reviewed in the light of internal consistency and an “Effective NLO Approximation” is proposed.     

Volatile constituents of Festuca nigrescens, Phleum alpinum and Poa alpina from N. W. Italian Alpine pastures

The composition of the volatile fractions of three important grasses from sub-alpine N.W. Italian pastures, namely Festuca nigrescens Lam. non Gaudin (chewing fescue), Phleum alpinum L. (alpine timothy) and Poa alpina L. (alpine bluegrass) was investigated. The fresh aerial parts were collected at the flowering stage during the summer season. The volatile oils obtained from green tissues by steam distillation in a Clevenger-type apparatus, were analyzed by GC/FID and GC/MS. The oil yield was 0.04 +/- 0.01% weight/fresh weight bases for each of the investigated species. Several classes of compounds were found in the volatile fractions, including aldehydes, alcohols, acids, hydrocarbons, esters, ketones, terpenes, and phenolics. Qualitative and quantitative differences were observed.     

Application of extended kinetic theory to particle transport with inelastic scattering

In the frame of extended kinetic theory, the linear Boltzmann equation for test particles in an absorbing and inelastically scattering background leads to a partial-integral-difference equation which is studied in the proper mathematical setting. As an application, penetration of a beam of particles in a plane slab is considered in steady state conditions, and the relevant problem is solved by a rigorous algorithm. Accurate results for particle and energy distributions, and for transmission, reflection, and absorption coefficients are provided and briefly discussed.

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Riassunto Viene studiata, nell'ambito della teoria cinetica estesa, 1'equazione di Boltzmann lineare per il trasporto di particelle in un mezzo assorbente e scatterante anelasticamente. L'equazione integro-differenziale alle differenze è applicata al problema stazionario della penetrazione di un fascio di particelle in una lastra piana. Vengono presentati risultati numerici rigorosi per le distribuzioni di particelle ed energia, e per i coefficient: di trasmissione, riflessione ed assorbimento.

     

Synthesis of pyridazine derivatives through the unexpected intermediate 5‐amino‐ 4‐cyano ‐2,3‐dihydro‐furan‐2,3‐disulfonic acid disodium salt

An unexpected compound (5‐amino‐4‐cyano‐2,3‐dihydrofuran‐2,3‐disulfonic acid disodium salt, 4 ) was isolated from the reaction of glyoxale bis hydrogen sulfite disodium salt with malononitrile. Its structure was undoubtly identified through crystal structure analysis. Compound 4 was highly stable and it was isolated easily and in a very high yield. Its reactivity was studied in the reactions with some hydrazine derivatives in order to obtain different pyridazine analogs.     

Linear and nonlinear 3D-QSAR approaches in tandem with ligand-based homology modeling as a computational strategy to depict the pyrazolo-triazolo-pyrimidine antagonists binding site of the human adenosine A2A receptor

The integration of ligand- and structure-based strategies might sensitively increase the success of drug discovery process. We have recently described the application of Molecular Electrostatic Potential autocorrelated vectors (autoMEPs) in generating both linear (Partial Least-Square, PLS) and nonlinear (Response Surface Analysis, RSA) 3D-QSAR models to quantitatively predict the binding affinity of human adenosine A3 receptor antagonists. Moreover, we have also reported a novel GPCR modeling approach, called Ligand-Based Homology Modeling (LBHM), as a tool to simulate the conformational changes of the receptor induced by ligand binding. In the present study, the application of both linear and nonlinear 3D-QSAR methods and LBHM computational techniques has been used to depict the hypothetical antagonist binding site of the human adenosine A2A receptor. In particular, a collection of 127 known human A2A antagonists has been utilized to derive two 3D-QSAR models (autoMEPs/PLS&RSA). In parallel, using a rhodopsin-driven homology modeling approach, we have built a model of the human adenosine A2A receptor. Finally, 3D-QSAR and LBHM strategies have been utilized to predict the binding affinity of five new human A2A pyrazolo-triazolo-pyrimidine antagonists finding a good agreement between the theoretical and the experimental predictions.     

Steady Combustion Waves Driven by a Recombination Reaction in a Gas Mixture

Steady combustion waves in one space dimension are studied by means of fluid-dynamic reactive Navier?CStokes equations derived from kinetic theory. By using the conservation laws, the problem is reduced to a three-dimensional dynamical system, with different solutions of deflagration or detonation type according to several various sub-regions in the parameter space. The delicate question of the flame eigenvalue is addressed, and a suitable numerical algorithm is used in order to catch these special solutions and to deal with the relevant unstable equilibrium states. Numerical examples of smooth weak deflagrations or detonations are shown.     

All-optical simultaneous drop and wavelength conversion of DPSK data

We demonstrate an all-optical scheme for the simultaneous drop and wavelength conversion of bursts of data from a continuous stream of differential phase-shift keyed (DPSK) signals. This function is obtained in a single semiconductor optical amplifier Mach-Zehnder interferometer thanks to proper nonlinear interaction of the data stream and an optical gate signal at different wavelength. Fast switching-time enabling wavelength shifting operation on continuous DPSK data stream at 10 and 40 Gb/s without any bit loss is reported. Corresponding measured power penalties are negligible at 10 Gb/s and about 1.7 dB at 40 Gb/s.