Modification of glass capillary gas chromatographic columns by alkylation of the glass surface with pentafluorobenzyl bromide

Summary Glass surface alkylation with pentafluorobenzyl (PFB) bromide yields glass capillary gas chromatographic columns with modified retention characteristics. Glass-alkylated OV-225 columns have been tested in the analysis of PFB fluoroacetate, and the substantial increase in retention time of this highly volatile compound was found to improve the precision of analysis. PFB-alkylated columns should prove generally useful in gas chromatographic analysis of small relative molecular mass compounds.     

Ausstrahlungsproblem des Laplace-Operators für eine Klasse der Gebiete mit unbeschränktem Rand

In this paper we prove the existence and uniqueness of a solution u satisfying the equation- u – k² y = f (k , k 0), homogeneous Dirichlet data on the boundary and a radiation condition at infinity. We consider this problem in some unbounded region with an infinite boundary for which the assumption (x) · (x) 0 holds; here denotes the exterior normal and a given field.     

Optical modeling of laterally-corrugated ridge-waveguide gratings

The paper presents some model improvements for the optical simulation of laterally-corrugated ridge-waveguide distributed feedback lasers. Simulation results are discussed and design principles for achieving single-longitudinal-mode operation are outlined. The effects of the laterally-corrugated ridge geometry both on the coupling coefficient and on the Bragg wavelength of different transverse modes are presented. The improved modeling has been used to design 980 nm distributed feedback lasers with laterally-corrugated ridge-waveguide third-order gratings. The lasers fabricated using nanoimprint lithography exhibited single-mode operation with 50 dB side-mode suppression ratio.     

Bayesian spatial modeling of genetic population structure

Natural populations of living organisms often have complex histories consisting of phases of expansion and decline, and the migratory patterns within them may fluctuate over space and time. When parts of a population become relatively isolated, e.g., due to geographical barriers, stochastic forces reshape certain DNA characteristics of the individuals over generations such that they reflect the restricted migration and mating/reproduction patterns. Such populations are typically termed as genetically structured and they may be statistically represented in terms of several clusters between which DNA variations differ clearly from each other. When detailed knowledge of the ancestry of a natural population is lacking, the DNA characteristics of a sample of current generation individuals often provide a wealth of information in this respect. Several statistical approaches to model-based clustering of such data have been introduced, and in particular, the Bayesian approach to modeling the genetic structure of a population has attained a vivid interest among biologists. However, the possibility of utilizing spatial information from sampled individuals in the inference about genetic clusters has been incorporated into such analyses only very recently. While the standard Bayesian hierarchical modeling techniques through Markov chain Monte Carlo simulation provide flexible means for describing even subtle patterns in data, they may also result in computationally challenging procedures in practical data analysis. Here we develop a method for modeling the spatial genetic structure using a combination of analytical and stochastic methods. We achieve this by extending a novel theory of Bayesian predictive classification with the spatial information available, described here in terms of a colored Voronoi tessellation over the sample domain. Our results for real and simulated data sets illustrate well the benefits of incorporating spatial information to such an analysis.     

On the Significance of the Initial Solution in Travelling Salesman Heuristics

The quality requirements set by edge exchange heuristics on their initial solutions are evaluated in connection with the travelling salesman problem. The performance of the heuristics is measured using the expected value of the best solution achievable in a certain computing time. The computational results show that the use of initial solutions generated by applying a construction heuristic, instead of random initial solutions, typically improves the performance of edge exchange heuristics. The improvement, however, is dependent on the edge exchange heuristic to be used, the properties of the problem, and the computing time available.     

Optimal shape design in a fibre orientation model

We study a 2D model of the orientation distribution of fibres in a paper machine headbox. The goal is to control the orientation of fibres at the outlet by shape variations. The mathematical formulation leads to an optimization problem with control in coefficients of a linear convection-diffusion equation as the state problem. Existence of solutions both to the state and the optimization problem is analyzed and sensitivity analysis is performed. Further, discretization is done and a numerical example is shown. This research was supported by the Charles University Grant Agency under Contract 6/2005/R, MSM 0021620839 (MŠMT ČR), and the Academy of Finland, Grant #204741.     

Boron nitride nanotube-based amphiphilic hybrid nanomaterials for superior encapsulation of hydrophobic cargos

We report an organic-inorganic hybrid core-shell nanomaterial obtained by conjugation of an amphiphilic monomethoxy-poly(ethylene glycol)-b-poly(epsilon-caprolactone) diblock copolymer to hydroxylated boron nitride nanotubes (BNNTs). The extent of copolymer grafting reached 64% w/w, an exceptionally high value. The hybrid materials exhibit excellent physical stability in water and an outstanding loading capacity (31.3% w/w) for curcumin, a hydrophobic drug. Moreover, they present good compatibility with the Caco2 cell line, a model of intestinal epithelium. Our findings demonstrate the potential of multifunctional hybrid BNNTs to serve as a platform for complex amphiphilic nanoparticle architectures with improved features.     

19F single-quantum and 19F-33S heteronuclear multiple-quantum coherence NMR of SF6 in thermotropic nematogens and in the gas phase

(19)F single-quantum (SQC) and (19)F-(33)S heteronuclear multiple-quantum coherence (HMQC) NMR spectroscopy of sulfur hexafluoride (SF(6)) dissolved in thermotropic liquid crystals (TLCs) were used to investigate the properties of TLCs. On one hand, environmental effects on the NMR parameters of SF(6), (19)F nuclear shielding, (19)F-(33)S spin-spin coupling, secondary isotope effects of sulfur on (19)F shielding, and the self-diffusion coefficient in the direction of the external magnetic field were studied as well. The temperature dependence of the (19)F shielding of SF(6) in TLCs was modeled with a function that takes into account the properties of both TLC and SF(6). It appears that the TLC environment deforms the electronic system of SF(6) so that the (19)F shielding tensor becomes slightly anisotropic, with the anisotropy being from -0.5 to -1.4 ppm, depending upon the TLC solvent. On the contrary, no sign of residual dipolar coupling between (19)F and (33)S was found, meaning that the so-called deformational effects, which arise from the interaction between vibrational and reorientational motions of the molecule, on the geometry of the molecule are insignificant. Diffusion activation energies, E(a), were determined from the temperature dependence of the self-diffusion coefficients. In each TLC, E(a) increases when moving from an isotropic phase to a nematic phase. The spin-spin coupling constant, J((19)F,(33)S), increases by ca. 10 Hz when moving from the gas phase to TLC solutions. The secondary isotope shifts of (19)F shielding are practically independent of TLC solvent and temperature. For the first time, (19)F-(33)S heteronuclear multiple-quantum NMR spectra were recorded for SF(6) in the gas phase and in a liquid-crystalline solution.     

Synthesis of multivalent Streptococcus suis adhesion inhibitors by enzymatic cleavage of polygalacturonic acid and 'click' conjugation

A galabiose disaccharide building block was synthesized by an efficient pectinase cleavage of polygalacturonic acid and subsequent chemical functional group transformations. Besides the disaccharide, the corresponding trisaccharide was also obtained and modified. The compounds were subsequently conjugated to dendrimers with up to eight end groups using 'click' chemistry. The compounds were evaluated as inhibitors of adhesion of the pathogen Streptococcus suis in a hemagglutination assay and strong inhibition was observed for the tetra- and octavalent galabiose compound with MIC values in the low nanomolar range. The corresponding octavalent trisaccharide was a ca. 20-fold weaker inhibitor.