New Approaches to Coupling TLC with TOF-SIMS

JPC – Journal of Planar Chromatography – Modern TLC - A new hyphenated technique that enables coupling of thin-layer chromatography (TLC) with time-of-flight secondary-ion mass...     

Photoinduzierte umlagerung von isoxazolinen: Syntheseweg zu 2,4,5,8-Tetrahedron-1,3-dicx-5-azocinen

A high yield 2,4,5,8-tetrahydro-1,3-diox-5-azocine synthesis, which employs a sequence of cycloaddition and photoinduced rearrangement has been developed.     

Topological Properties of the Space of Convex Minimal Usco Maps

Set-Valued and Variational Analysis - We investigate the space of convex minimal usco maps from a Tychonoff space to the space of real numbers. Its elements are set-valued maps that are important...     

Quasicontinuous Subcontinuous Functions and Compactness

Mediterranean Journal of Mathematics - Let X be a locally compact space and (Y, d) be a metric space. A subfamily $${\mathcal E}$$ of the space of quasicontinuous subcontinuous functions from X to...     

Computation of molecular parity violation using the coupled-cluster linear response approach

In memoriam, Nicholas C. Handy.

We report the implementation of a coupled-cluster linear response approach for the computation of molecular parity violation (in the framework of the PSI3 code, in particular). The approach is applied first to molecules such as hydrogen peroxide (HOOH), hydrogen disulfide (HSSH) and dichlorinedioxide (ClOOCl), which have been studied previously. The importance of including correlation is demonstrated for these examples, also including selected variations of geometry providing parity violation as a function of torsional angles. For the substituted allenes, 1,3 difluoroallene (CHF=C=CHF), 1,fluoro,3 chloroallene (CHF=C=CHCl) and 1,3 dichloroallene (CHCl=C=CHCl), we find that in particular the last molecule may be a suitable candidate for the experimental study of molecular parity violation.     

Cold Atmospheric Pressure Plasma Can Induce Adaptive Response in Pea Seeds

Plasma Chemistry and Plasma Processing - This study investigated the effect of cold atmospheric pressure air plasma pre-treatment on pea (Pisum sativum L.) seeds. The aim of our study was to verify...     

Microstructure and properties of polyhydroxybutyrate-calcium phosphate cement composites

The biopolymer (polyhydroxybutyrate) microparticles-calcium phosphate composites were prepared by mechanical mixing of the basic composite components with the addition of hardening liquid after ethanol-composite mixture suspension moulding. The composite microstructures were more compact than the pure cement samples as confirmed by the lower values of specific areas and mesopore volumes. Both the specific areas and mesopore volumes decreased with soaking time in a simulated body fluid. The low polyhydroxybutyrate degradation in composites was found after soaking in simulated body fluid, which was terminated after one week. The formation of a dense apatite layer bonded directly to the surface of polyhydroxybutyrate microparticles was observed. The highest diametral tensile strength (13 MPa) and compressive strength (95 MPa) values of up to 50 % higher than in pure cement were measured in samples with 10 % of polyhydroxybutyrate. The addition of polyhydroxybutyrate microparticles had no effect on the setting time.     

Tunneling and Parity Violation in Trisulfane (HSSSH): An Almost Ideal Molecule for Detecting Parity Violation in Chiral Molecules

Measuring the parity‐violating energy difference Δ_pvE between the enantiomers of chiral molecules is a major challenge of current physical‐chemical stereochemistry. An important step towards this goal is to identify suitable molecules for such experiments by means of theory. This step has been made by calculations for the complex dynamics of tunneling and electroweak quantum chemistry of parity violation in the “classic” molecule trisulfane, HSSSH, which satisfies the relevant conditions for experiments almost ideally, as the molecule is comparatively simple and parity violation clearly dominates over tunneling in the ground state. At the same time, the barrier for stereomutation is easily overcome by the S?H infrared chromophore.