Hydroindene-derived chiral synthons from carotol and their cytotoxicity

Ten enantiomerically pure hydroindene-derived compounds obtained by the transformation of (+)-carotol, the main constituent of carrot seed essential oil, were examined for their ability to inhibit the growth of myeloid leukaemia (HL-60) cancer cell lines. All compounds showed significant activity, which was comparable to the most active volatile organic compounds, such as trans–trans-farnesol, citral and nerolidol. Based on the bioactivity and molecular modelling, a 3D QSAR pharmacophore model was generated.     

Transformation of macromonomers into ring‐opening polymerization macroinitiators: A detailed initiation efficiency study

In the present study, n‐butyl acrylate macromonomer (BAMM) (M_n = 1900 g mol^?1; PDI = 1.96) has been synthesized via a high‐temperature polymerization process. Subsequently, the olefinic termini of the BAMM have been transformed into a diol via a dihydroxylation process using KMnO₄ as an oxidizing agent. The OH‐terminated macroinitiator pBA(OH)₂ has subsequently been employed for the ring‐opening polymerization (ROP) of ε‐caprolactone via various catalytic systems, that is, organo‐(1,5,7‐triazabicyclo[4.4.0]dec‐5‐ene), metal (tin(II) 2‐ethylhexanoate), and enzymatic catalysis (Novozym® 435). The obtained pBA‐b‐pCL block copolymers and the initiation efficiency of the BAMM macroinitiator have been investigated via size exclusion chromatography (SEC), electrospray ionization–mass spectrometry (ESI‐MS) hyphenated with SEC and liquid chromatography at the critical conditions of both poly(ε‐caprolactone) (pCL) and pBA. The in vitro enzyme catalysis (eROP) approach proved to be the most efficient catalysis system due to minor transesterification side reactions during the polymerization process. However, side reactions such as transesterifications occur in each catalytic system and—while they cannot be suppressed—they can be minimized. The species generated during the eROP process include the desired block copolymer pBA‐b‐pCL as main species as well as pCL homopolymer and residual macroinitiator pBA(OH)₂. © 2012 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem, 2012     

On the formation mechanism for electrically generated exciplexes in a carbazole–pyridine copolymer

Although carbazole‐containing copolymers are frequently used as hole‐transporting host materials for polymer organic light‐emitting diodes (OLEDs), they often suffer from the formation of undesired exciplexes when the OLED is operated. The reason why exciplexes sometimes form for electrical excitation, yet not for optical excitation is not well understood. Here, we use luminescence measurements and quantum chemical calculations to investigate the mechanism of such exciplex formation for electrical excitation (electroplex formation) in a carbazole–pyridine copolymer. Our results suggest that the exciplex is formed via a positively charged interchain precursor complex. This complex is stabilized by interactions that involve the nitrogen lone pairs on both chain segments. © 2011 Wiley Periodicals, Inc. J Polym Sci Part B: Polym Phys, 2012     

A priori bounds in weighted spaces

In unbounded domains we state some a priori bounds for solutions of the Dirichlet problem for linear second order elliptic differential equations in nondivergence form with discontinuous coefficients in weighted spaces. The weight function is related to the distance function from a fixed subset S of ∂Ω.     

Benchmarking state-of-the-art classification algorithms for credit scoring

In this paper, we study the performance of various state-of-the-art classification algorithms applied to eight real-life credit scoring data sets. Some of the data sets originate from major Benelux and UK financial institutions. Different types of classifiers are evaluated and compared. Besides the well-known classification algorithms (eg logistic regression, discriminant analysis, k-nearest neighbour, neural networks and decision trees), this study also investigates the suitability and performance of some recently proposed, advanced kernel-based classification algorithms such as support vector machines and least-squares support vector machines (LS-SVMs). The performance is assessed using the classification accuracy and the area under the receiver operating characteristic curve. Statistically significant performance differences are identified using the appropriate test statistics. It is found that both the LS-SVM and neural network classifiers yield a very good performance, but also simple classifiers such as logistic regression and linear discriminant analysis perform very well for credit scoring.     

Canonical connections with an algebraic curvature tensor field on naturally reductive spaces

We study Ambrose-Singer connections with an algebraic curvature tensor on simply connected manifolds carrying a homogeneous Riemannian structure of class ₃ in the classification given by F. Tricerri and L. Vanhecke.This work was partially supported by MURST.     

Besov-Morrey spaces: Function space theory and applications to non-linear PDE

This paper is devoted to the analysis of function spaces modeled on Besov spaces and their applications to non-linear partial differential equations, with emphasis on the incompressible, isotropic Navier-Stokes system and semi-linear heat equations. Specifically, we consider the class, introduced by Hideo Kozono and Masao Yamazaki, of Besov spaces based on Morrey spaces, which we call Besov-Morrey or BM spaces. We obtain equivalent representations in terms of the Weierstrass semigroup and wavelets, and various embeddings in classical spaces. We then establish pseudo-differential and para-differential estimates. Our results cover non-regular and exotic symbols. Although the heat semigroup is not strongly continuous on Morrey spaces, we show that its action defines an equivalent norm. In particular, homogeneous BM spaces belong to a larger class constructed by Grzegorz Karch to analyze scaling in parabolic equations. We compare Karch's results with those of Kozono and Yamazaki and generalize them by obtaining short-time existence and uniqueness of solutions for arbitrary data with subcritical regularity. We exploit pseudo-differential calculus to extend the analysis to compact, smooth, boundaryless, Riemannian manifolds. BM spaces are defined by means of partitions of unity and coordinate patches, and intrinsically in terms of functions of the Laplace operator.