Diastereocontrol in the intramolecular cycloadditions of 2-substituted-erythro-3,4-isopropylidenedioxyhex-5-enenitrile oxides

The influence of the 2-substituent on the diastereoselectivity of the intramolecular cycloadditions in a series of 2-substituted-erythro-3,4-isopropylidene-dioxyhex-5-enenitrile oxides, generated in situ from selected sugar derivatives, was examined.     

Estimate of the truncation error of finite volume discretization of the Navier–Stokes equations on colocated grids

A methodology is proposed for the calculation of the truncation error of finite volume discretizations of the incompressible Navier–Stokes equations on colocated grids. The truncation error is estimated by restricting the solution obtained on a given grid to a coarser grid and calculating the image of the discrete Navier–Stokes operator of the coarse grid on the restricted velocity and pressure field. The proposed methodology is not a new concept but its application to colocated finite volume discretizations of the incompressible Navier–Stokes equations is made possible by the introduction of a variant of the momentum interpolation technique for mass fluxes where the pressure part of the mass fluxes is not dependent on the coefficients of the linearized momentum equations. The theory presented is supported by a number of numerical experiments. The methodology is developed for two‐dimensional flows, but extension to three‐dimensional cases should not pose problems. Copyright © 2005 John Wiley & Sons, Ltd.     

How complex is the dynamics of Peptide folding?

Classical molecular dynamics simulations of the folding of alanine peptides in aqueous solution are analyzed by constructing a deterministic model of the dynamics, using methods from nonlinear time series analysis. While the dimension of the free energy landscape increases with system size, a Lyapunov analysis shows that the effective dimension of the dynamic system is rather small and even decreases with chain length. The observed reduction of phase space is a nonlinear cooperative effect that is caused by intramolecular hydrogen bonds that stabilize the secondary structure of the peptides.     

Investigation of confined ionic liquid in nanostructured materials by a combination of SANS, contrast-matching SANS, and nitrogen adsorption

Small-angle neutron scattering (SANS), contrast-matching SANS, and nitrogen adsorption have been utilized to investigate the confined ionic liquid (IL) [bmim][PF(6)] phase in ordered mesoporous silica MCM-41 and SBA-15. The results suggest that the pores of SBA-15 are completely filled with IL whereas a small fraction of the pore volume, the pore "core", of MCM-41 is empty. The contrast-matching SANS measurements confirm the enhanced solubility of water in IL. In addition, they provide strong evidence that water does not enter the empty pore core of MCM-41, possibly because of the preferred orientation of the IL molecules in the adsorbed layer.     

Simple method for detection of extremely diluted anti beta-casein antibodies from glass bead based receptors

The current work describes the elaboration of a simple, sensitive and reliable β-casein modified glass beads, for the detection and quantification of its specific antibody anti β-casein. This is an elementary receptor without electronic part, developed by grafting glass bead surface with the antigenic β-casein via 3-aminopropyltriethoxy silane and then glutaraldehyde as cross-linker. The whole is realized by a classical process, called in two steps and in mild conditions where chemical protocol is optimized for β-casein use. The detection and quantification of the specific reaction antibody-receptor is carried out by the technique of the second antibody labeled with horse radish peroxidase (HRP). Our receptor can detect the β-casein antibody present in the serum at dilutions up to a factor 10⁷ in strong ionic strength medium. The same antibody of the same serum and in the same conditions can be detected by ELISA test at dilutions up to a factor 10⁵. The whole test, after our receptor realization, takes about 5 h.     

Accessing the structural diversity of pyridone alkaloids: concise total synthesis of rac-citridone A

A unique route to the structural diversity of pyridone alkaloids is described based on the concept of a common synthetic strategy. Three different core structure analogues corresponding to akanthomycin, septoriamycin A, and citridone A have been prepared by using a highly selective and novel carbocyclization reaction.     

A novel method for urinary tract infection diagnosis and antibiogram using Raman spectroscopy

Urinary tract infection (UTI) diagnosis and antibiogram require a 48‐h waiting period using the standard conventional clinical methods. This long waiting period results in ineffective treatments, increased costs and, most importantly, in increased resistance to antibiotics. In this work, a novel method for classifying bacteria and determining their sensitivity to an antibiotic using Raman spectroscopy is described. Raman spectra belonging to three species of gram‐negative enterobacteria, which are most commonly responsible for UTIs, are classified with over 94% accuracy using novel feature extraction and discriminant analysis. Sensitivity to ciprofloxacin is also clearly evident as early as 2 h after treatment by differences in the Raman spectra of bacteria treated or not treated with this antibiotic. The proposed technique can become the basis for the development of new technology for UTI diagnosis and antibiogram with same day results, thus avoiding urine cultures and all undesirable consequences of current practice. Copyright © 2009 John Wiley & Sons, Ltd.     

Evolutionary games and matching rules

This study considers evolutionary games with non-uniformly random matching when interaction occurs in groups of \(n\ge 2\) individuals using pure strategies from a finite strategy set. In such models, groups with different compositions of individuals generally co-exist and the reproductive success (fitness) of a specific strategy varies with the frequencies of different group types. These frequencies crucially depend on the matching process. For arbitrary matching processes (called matching rules), we study Nash equilibrium and ESS in the associated population game and show that several results that are known to hold for population games under uniform random matching carry through to our setting. In our most novel contribution, we derive results on the efficiency of the Nash equilibria of population games and show that for any (fixed) payoff structure, there always exists some matching rule leading to average fitness maximization. Finally, we provide a series of applications to commonly studied normal-form games.