Riemann and Dirichlet Type Problems for Hyperanalytic Functions in Fractal Domains

In this paper we are interested in finding solvability conditions for Riemann and Dirichlet type boundary value problems with generalized Hölder-continuous boundary data in the case of hyperanalytic functions defined in a domain of the complex plane bounded by an h-summable closed curve.     

A q-linear analogue of the plane wave expansion

We obtain a q-linear analogue of Gegenbauer?s expansion of the plane wave. It is expanded in terms of the little q-Gegenbauer polynomials and the third Jackson q-Bessel function. The result is obtained by using a method based on bilinear biorthogonal expansions.     

Generation and characterization of low‐energy structures in atomic clusters

Factors relevant for controlling the structures determined in the local optimization of argon clusters are investigated. In particular, the role of volume and shape for the box where initial structures are generated is assessed. A thorough characterization of the optimization is also presented, based on a nearest‐neighbor analysis, in clusters ranging from 30 to 55 atoms. This includes the assessment of the degree of preservation of aspects of the initial randomly generated structure in the final optimized counterpart, and the correlation between optimized energy and the number of nearest neighbors and average departure from the diatomic reference distance. The usefulness of this analysis to explore the energy landscape of atomic clusters is also highlighted. © 2009 Wiley Periodicals, Inc. J Comput Chem, 2010     

Plants as sources of new antimicrobials and resistance-modifying agents

Covering: up to November 2011Infections caused by multidrug-resistant bacteria are an increasing problem due to the emergence and propagation of microbial drug resistance and the lack of development of new antimicrobials. Traditional methods of antibiotic discovery have failed to keep pace with the evolution of resistance. Therefore, new strategies to control bacterial infections are highly desirable. Plant secondary metabolites (phytochemicals) have already demonstrated their potential as antibacterials when used alone and as synergists or potentiators of other antibacterial agents. The use of phytochemical products and plant extracts as resistance-modifying agents (RMAs) represents an increasingly active research topic. Phytochemicals frequently act through different mechanisms than conventional antibiotics and could, therefore be of use in the treatment of resistant bacteria. The therapeutic utility of these products, however, remains to be clinically proven. The aim of this article is to review the advances in in vitro and in vivo studies on the potential chemotherapeutic value of phytochemical products and plant extracts as RMAs to restore the efficacy of antibiotics against resistant pathogenic bacteria. The mode of action of RMAs on the potentiation of antibiotics is also described.     

Combining electronic properties and virtual screening for the development of new antioxidants: Trolox-like compounds as application example

Oxidative stress is an imbalance between the production of free radicals and the antioxidant defenses of the organism. Heart diseases, anemia, inflammation, and neurodegenerative disorders have been associated with this biological condition. Trolox is a notable antioxidant drug similar to vitamin E, and it is used to decrease the oxidative stress or repair the damage caused by it. In this work, the virtual screening technique is applied to identify compounds with antioxidant activities similar to Trolox. The antioxidant activity of these compounds was assessments by the mechanisms of hydrogen atom transfer and single electron transfer. Properties such as bond dissociation enthalpy, adiabatic ionization potential, Gibbs free reaction energy, spin density, highest occupied molecular orbital (HOMO), and GAP (HOMO-LUMO) energies, obtained from the DFT approach, point out to the predominance of the HAT mechanism for the antioxidant action of these compounds. The obtained results contribute to a better understanding of the chemical and physical properties responsible for antioxidant activity and the design of new antioxidant agents.     

Enzymatic synthesis of medium chain monoglycerides in a solvent-free system

The synthesis of monocaprin, monolaurin, and monomyristin in a solvent-free system was conducted by mixing a commercial immobilized lipase with the organic reactants (glycerol and fatty acids) in a 20-mL batch reactor with constant stirring. The effects of temperature, fatty acid/glycerol molar ratio, and enzyme concentration on the reaction conversion were determined. The addition of molecular sieves in the assays of monomyristin synthesis was also evaluated. The reactions were carried out for 5 to 6 h and the nonpolar phase was analyzed by gas chromatography. The best results in terms of selectivity and conversion (defined as the percentage of fatty acid consumed) were achieved when the stoichiometric amount of reagents (molar ratio=1) and 9% (w/w) commercial enzyme were used and the reaction was performed at 60°C. The addition of molecular sieves did not improve the synthesis of monomyristin. Conversions as high as 80%, with monoglycerides being the major products, were attained. After 5 h of reaction, the concentration of monoglyceride was about twice that of diglyceride, and only trace amounts of triglyceride were found. The results illustrate the technical possibility of producing medium chain monoglycerides in a solvent-free medium using a simple batch reactor.     

Ether drift experiments and electromagnetic momentum

Propagation of Aharonov-Bohm matter waves and light waves in moving media is characterized by the interaction electromagnetic momentum. Thus, recent models of light propagation in moving rarefied media justify and call for an optical experiment of the Mascart-Jamin type, capable of testing the modern interpretations of ether drift experiments.     

Calculated Infrared, Raman, and Rayleigh Properties of the CO(3) Molecule

Properties associated with the infrared, Rayleigh, and Raman spectra of the CO(3) molecule are calculated by the Hartree-Fock and M?ller-Plesset perturbation theory methods. Vibrational frequencies and infrared activities are found to be in agreement with the experiment and previous calculations. The values obtained for the Raman spectrum show a very sensitive dependence to the treatment of electron correlation. The OCO wag normal mode, unobserved in the IR experiment, is predicted to have a very small Raman scattering activity. Copyright 2000 Academic Press.     

Comment on: “From classical to modern ether-drift experiments: the narrow window for a preferred frame” [Phys. Lett. A 333 (2004) 355]

In a recent article [M. Consoli, E. Costanzo, Phys. Lett. A 333 (2004) 355], M. Consoli and E. Costanzo have investigated classical and modern aether drift experiments and explored the narrow window for detection of a preferred reference frame. This Letter proposes an easy to perform variant of Fizeau's experiment, which may confirm or deny Consoli–Costanzo's claims.