Stereodefined ring contraction-rearrangement of thiocoumarins to new fused benzo[b]thiophene derivatives

Mesoionic 1,3-oxazolium-5-olates (münchnones) react with thiocoumarins having an electron-withdrawing group at the 3-position to afford stereodefined fused polycyclic thienopyrroles. The reaction sequence seems to be triggered by a regiospecific dipolar cycloaddition followed by ring opening of the initial 1:1 cycloadduct and intramolecular rearrangement with an unusual ring contraction.     

Chemical fingerprinting of Equisetum arvense L. using HPTLC densitometry and HPLC

Equisetum arvense L. is a herbaceous medicinal plant, commonly known as horsetail, whose extracts have been reported to possess diuretic and haemostatic properties. The aim of this study was to evaluate the use of fingerprint chromatographic methods on commercially available raw materials or preparations of E. arvense L. in order to ascertain their quality and identify possible adulterants using HPLC and HPTLC densitometry. Two chromatographic methods were used to determine the chemical fingerprints of E. arvense and other allied species. The first was based on HPTLC identification followed by densitometric measurement at 350?nm. The second was based on HPLC separation. The ease of sample preparation and the possibility of simultaneous analysis of several samples in a short time make HPTLC a method of choice for the comprehensive quality evaluation of herbal products.     

Three solutions to a perturbed nonlinear discrete Dirichlet problem

Using critical point theory, we study the existence of at least three solutions for a perturbed nonlinear Dirichlet boundary value problem for difference equations depending on two positive parameters.     

Carbonic anhydrase inhibitors: X-ray crystallographic studies for the binding of N-substituted benzenesulfonamides to human isoform II

N-substituted benzenesulfonamides, incorporating the N-amino-, N-hydroxy- and N-methoxy-moieties at the sulfonamide zinc binding group, have been investigated as CAIs by means of inhibition and structural studies, unraveling interesting aspects related to their inhibition mechanism.     

Solvent effects on the complexation of 1-alkanols by parent and modified cyclodextrins. Calorimetric studies at 298 K

The formation of complexes of parent and alkylated cyclodextrins (CDs) with 1-heptanol and 1-octanol has been studied calorimetrically at 298 K in water and in concentrated aqueous solutions of urea. The forces involved in the association process are discussed in the light of the signs and values of the thermodynamic parameters obtained: association enthalpy, binding constant, Gibbs free energy, and entropy. It was inferred that: (i) in water, the formation of complexes for parent and substituted α-cyclodextrins (αCDs) is determined by enthalpy. For parent and substituted β-cyclodextrins (βCDs), instead, hydrophobic interactions are the prevailing forces determining complexation, as indicated by the small and negative or positive enthalpies and by the high and positive entropies. (ii) In urea, hydrophilic interactions are attenuated. The formation of complexes with alkylated CDs does not occur. (iii) The analysis of the thermodynamic properties confirms that inclusion is a process dominated by hydration phenomena. Modifications experienced by the solvent water in the hydration shells of the interacting substances upon association determine the formation of the complexes.     

Structure and symmetry of azulene as determined from microwave spectra of isotopomers

The rotational spectra of six ¹³C isotopomers in natural abundance and of eight synthesized deuterium isotopomers of azulene have been measured using pulsed nozzle cavity and waveguide Fourier transform microwave (FTMW) spectrometers over the 8–18?GHz range. The spectrum of the parent species was remeasured with the higher resolution of FTMW spectrometers. Rotational constants have been fitted to the measured frequencies of the rotational transitions of all measured isotopomers. In addition, centrifugal distortion constants were determined for the parent species and the deuterated isotopomers. The permanent electric dipole moment was redetermined from Stark splittings. The C_2v covering symmetry of the azulene molecule has been demonstrated unambiguously from a single set of observed transitions for the asymmetrically substituted 1-, 4-, 5- and 9-¹³C–isotopomers at twice the intensity of the symmetrically substituted 2- and 6-¹³C–isotopomers. The positions of all nuclei of the planar non–alternating aromatic ring system of azulene have been determined from moments of inertia of all available isotopomers. Different methods have been used to arrive at a near equilibrium structure.     

NeXSPheRIO results on elliptic flow at RHIC and connection with thermalization

Elliptic flow at RHIC is computed event by event with NeXSPheRIO. Reasonable agreement with experimental results on v ₂(η) is obtained. Various effects are studied as well: reconstruction of impact parameter direction, freeze-out temperature, equation of state (with or without crossover), emission mechanism.     

A phenomenological quark matter equation of state

Both the MIT bag model and potential models are able to reproduce static properties of hadrons (e.g. their mass spectrum) with reasonable accuracy. However, while the extrapolation of the MIT bag model from hadrons to dense matter is rather straightforward, it is not the same for potential models. To deal with this problem, in this paper, the methods of relativistic quantum many-body theory are applied to the study of quark matter interacting through an instantaneous potential at zero temperature. It is shown that under some conditions, the quark plasma undergoes a first order transition from a massive state at low density to a gas of particles of decreasing mass at high density—as one expects from perturbative QCD. In addition, immediately after the transition, the quarks are in a collective bound state, which might perhaps be interpreted as the fact that they just start to leave the inside of hadrons.     

Koszul Modules and Gorenstein Algebras

I first define Koszul modules, which are a generalization to arbitrary rank of complete intersections. After a study of some of their properties, it is proved that Gorenstein algebras of codimension one or two over a local or graded CM ring are Koszul modules, thus generalizing a well known statement for rank one modules. The general techniques used to describe Koszul modules are then used to obtain a structure theorem for Gorenstein algebras in codimension one and two, over a local or graded CM ring.