Separation of chiral molecules by temperature programmed desorption

The Monte Carlo simulation method was used to model thermal desorption of a pair of enantiomers from a solid surface with a chiral periodic pattern of active sites. The main objective of the study was to determine the optimal number of the active sites and their spatial distribution within the unit cell of the surface to achieve the most efficient separation of the enantiomers. For that purpose we tested the series of chiral patterns which were found previously for the equilibrium adsorption. Temperature programmed desorption spectra were calculated using a square lattice of adsorption sites in which the active sites were distributed spatially according to the candidate patterns. Additionally, influence of relaxation of the adsorbed layer on the relative shift of the TPD peaks of the enantiomers was assessed and the key factors affecting the chiral separation were identified.     

Sard's theorem for mappings in Hölder and Sobolev spaces

We prove various generalizations of classical Sard's theorem to mappings f:M ^m →N ⁿ between manifolds in Hölder and Sobolev classes. It turns out that if f ∈ C ^k,λ (M ^m ,N ⁿ ), then—for arbitrary k and λ—one can obtain estimates of the Hausdorff measure of the set of critical points in a typical level set f ^?1(y). The classical theorem of Sard holds true for f ∈ C ^k with sufficiently large k, i.e., k>max(m?n,0); our estimates contain Sard's theorem (and improvements due to Dubovitskii and Bates) as special cases. For Sobolev mappings between manifolds, we describe the structure of f ^?1(y).     

Tocochromanols composition in kernels recovered from different apricot varieties: RP-HPLC/FLD and RP-UPLC-ESI/MSn study

Composition of tocochromanols in kernels recovered from 16 different apricot varieties (Prunus armeniaca L.) was studied. Three tocopherol (T) homologues, namely α, γ and δ, were quantified in all tested samples by an RP-HPLC/FLD method. The γ-T was the main tocopherol homologue identified in apricot kernels and constituted approximately 93% of total detected tocopherols. The RP-UPLC-ESI/MSⁿ method detected trace amounts of two tocotrienol homologues α and γ in the apricot kernels. The concentration of individual tocopherol homologues in kernels of different apricots varieties, expressed in mg/100 g dwb, was in the following range: 1.38–4.41 (α-T), 42.48–73.27 (γ-T) and 0.77–2.09 (δ-T). Moreover, the ratio between individual tocopherol homologues α:γ:δ was nearly constant in all varieties and amounted to approximately 2:39:1.     

New properties of a certain method of summation of generalized hypergeometric series

In a recent paper (Appl. Math. Comput. 215:1622–1645, 2009), the authors proposed a method of summation of some slowly convergent series. The purpose of this note is to give more theoretical analysis for this transformation, including the convergence acceleration theorem in the case of summation of generalized hypergeometric series. Some new theoretical results and illustrative numerical examples are given.     

Approximation,solution operators and quantale-valued metrics

A generalized solution operator is a mapping abstractly describing a computational problem and its approximate solutions. It assigns a set of \(\varepsilon \)-approximations of a solution to the problem instance f and accuracy of approximation \(\varepsilon \). In this paper we study generalized solution operators for which the accuracy of approximation is described by elements of a complete lattice equipped with a compatible monoid structure, namely, a quantale. We provide examples of computational problems for which the accuracy of approximation of a solution is measured by such objects. We show that the sets of \(\varepsilon \)-approximations are, roughly, closed balls with radii \(\varepsilon \) with respect to a certain family of quantale-valued generalized metrics induced by a generalized solution operator.     

Third Hankel Determinants for Subclasses of Univalent Functions

The main aim of this paper is to discuss the third Hankel determinants for three classes: \(S^*\) of starlike functions, \(\mathcal {K}\) of convex functions and \(\mathcal {R}\) of functions whose derivative has a positive real part. Moreover, the sharp results for twofold and threefold symmetric functions from these classes are obtained.     

Analysis of an elasto-piezoelectric system of hemivariational inequalities with thermal effects

In this paper we prove the existence and uniqueness of a weak solution for a dynamic electo-viscoelastic problem that describes a contact between a body and a foundation. We assume the body is made from thermoviscoelastic material and consider nonmonotone boundary conditions for the contact. We use recent results from the theory of hemivariational inequalities and the fixed point theory.