PTML modeling for peptide discovery: in silico design of non-hemolytic peptides with antihypertensive activity

Molecular Diversity - Hypertension is a medical condition that affects millions of people worldwide. Despite the high efficacy of the current antihypertensive drugs, they are associated with...     

Fracture behavior and mechanical,thermal, and rheological properties of biodegradable films extruded by flat die and calender

The development of biodegradable materials for tailored applications, particularly in the field of polymeric films and sheets, is a challenging technological goal as well as a contribution to help protect the environment. Poly(lactic) acid (PLA) is a promising substitute for several oil-based polymers; however, to overcome its thermal and mechanical drawbacks, researchers have developed solutions such as blending PLA with polybutylene adipate terephthalate (PBAT), which is capable of increasing the ductility of the final material. In this study, PLA/PBAT binary blends, with minimum possible content of nonrenewable materials, were examined from processing, thermal, morphological, and rheological perspective. An optimized PLA/PBAT ratio was chosen as the polymeric basis to obtain a biodegradable formulation by adding a biobased plasticizer and appropriate fillers to produce a micrometer film with tailored flexibility and tear resistance. The processing technology involved flat-die extrusion, followed by calendering. The tearing resistance of the produced film was investigated, and the results were compared with literature data. A study on the essential work of fracture was implemented to explore the mode III out-of-plane fracture resistance starting from a trouser tear test.     

Propriétés statistiques des entiers friables

Let Ψ(x,y) (resp. Ψ_m(x,y)) denote the number of integers not exceeding x that are y-friable, i.e. have no prime factor exceeding y (resp. and are coprime to m). Evaluating the ratio Ψ_m(x/d,y)/Ψ(x,y) for 1≤slantd≤slantx, m≥slant 1, x≥slant y≥slant 2, turns out to be a crucial step for estimating arithmetic sums over friable integers. Here, it is crucial to obtain formulae with a very wide range of validity. In this paper, several uniform estimates are provided for the aforementioned ratio, which supersede all previously known results. Applications are given to averages of various arithmetic functions over friable integers which in turn improve corresponding results from the literature. The technique employed rests mainly on the saddle-point method, which is an efficient and specific tool for the required design.2000 Mathematics Subject Classification: Primary—11N25; Secondary—11K65, 11N37     

Séries trigonométriques à coefficients arithmétiques

Journal d'Analyse Mathématique -     

Combined supercritical-fluid chromatography/mass spectrometry in the analysis of diuron in plasma using on-line phase-system switching

On-line sample pretreatment by means of the phase-system switching approach is an interesting technique for the analysis of aqueous samples, e.g., plasma, by means of supercritical-fluid chromatography. In order to analyse plasma samples the following analytical procedure is used. The plasma sample is injected on to a short precolumn, which is washed with water and subsequently dried with nitrogen. Next, the solutes are desorbed with the supercritical mobile phase, analysed with packed-column supercritical-fluid chromatography and detected with either a UV detector or a mass spectrometer, equipped with a moving-belt interface. The herbicide diuron is selected as a test compound to study the feasibility of this approach. Using a selective detector the procedure is sufficiently sensitive to detect diuron in plasma, but not appropriate to detect the diuron metabolites in a post-mortem plasma sample. These have been identified with liquid chromatography/mass spectrometry. The detection limit of diuron in plasma using the procedure described is about 30 ng/mL.     

Involutions for upper triangular matrix algebras

In this paper we describe completely the involutions of the first kind of the algebra UT_n(F) of n×n upper triangular matrices. Every such involution can be extended uniquely to an involution on the full matrix algebra. We describe the equivalence classes of involutions on the upper triangular matrices. There are two distinct classes for UT_n(F) when n is even and a single class in the odd case.Furthermore we consider the algebra UT₂(F) of the 2×2 upper triangular matrices over an infinite field F of characteristic different from 2. For every involution *, we describe the *-polynomial identities for this algebra. We exhibit bases of the corresponding ideals of identities with involution, and compute the Hilbert (or Poincaré) series and the codimension sequences of the respective relatively free algebras.Then we consider the *-polynomial identities for the algebra UT₃(F) over a field of characteristic zero. We describe a finite generating set of the ideal of *-identities for this algebra. These generators are quite a few, and their degrees are relatively large. It seems to us that the problem of describing the *-identities for the algebra UT_n(F) of the n×n upper triangular matrices may be much more complicated than in the case of ordinary polynomial identities.     

A microspectroscopic study of the electronic homogeneity of ordered and disordered Sr2FeMoO6

Disordered Sr₂FeMoO₆ shows a drastic reduction in saturation magnetization compared to highly ordered samples, moreover magnetization as a function of the temperature for different disordered samples shows qualitatively different behaviours. We investigate the origin of such diversity by performing spatially resolved photoemission spectroscopy on various disordered samples. Our results establish that e_xtensive electronic inhomogeneity, arising most probably from an underlying chemical inhomogeneity in disordered samples, is responsible for the observed magnetic inhomogeneity. It is further pointed out that these inhomogeneities are connected with composition fluctuations of the type Sr₂Fe_1+x Mo_1-x O₆ with Fe-rich (x > 0) and Mo-rich (x < 0) regions. Dedicated to Prof J Gopalakrishnan on his 62nd birthday.     

A calorimetric study of the different thermal behaviour of DNA in the isotropic and liquid-crystalline states

A difference between the thermal behaviour of the isotropic and liquid-crystalline state of sonicated DNA in aqueous salt solution containing poly(ethyleneglycol)(PEG) has been demonstrated. On cooling, a different degree of renaturation of thermally denaturated DNA is observed between samples which form the isotropic state and more concentrated samples which on cooling form the cholesteric state.     

The prediction of coal properties using compressed infrared data from osculating polynomials

Reduction of the representation of infrared spectra from coal samples by osculating polynomials of degree nine is discussed. The reduced representation contains polynomial coefficients of order zero to four. Mathematical models of the original spectra are obtained by linear combination of the coefficients. These compressed models are statistically correlated to coal properties, namely, volatile matter, fixed carbon, ash content, heating value, hydrogen, carbon, sulphur, nitrogen, and maximum vitrinite reflectance, and the results are compared with those previously obtained from second derivatives of the same spectra. The use of compressed data, while giving slightly better correlations for some of the properties, has the advantage of requiring less computational time.     

A non-isothermal Ginzburg–Landau model in superconductivity: Existence,uniqueness and asymptotic behaviour

In this paper we study a Ginzburg–Landau model which describes the behaviour of a superconducting material including thermal effects. We extend the traditional formulation of the problem, by introducing the temperature as an additional state variable. Accordingly, together with the Gor’kov–Eliashberg system, we introduce an evolution equation for the absolute temperature. We examine in detail the case which allows only variations of the concentration of superconducting electrons and of the temperature, neglecting the electromagnetic field. For this problem existence and uniqueness of the solution are shown. Finally we analyze the asymptotic behaviour of the solutions, proving that the system possesses a global attractor.