Determination of absolute configuration using X-ray diffraction

Methods for determination of absolute structure using X-ray crystallography are described, with an emphasis on applications for absolute configuration assignment of enantiopure light-atom organic compounds. The ability to distinguish between alternative absolute structures by X-ray crystallography is the result of a physical phenomenon called resonant scattering, which introduces small deviations from the inherent inversion symmetry of single-crystal X-ray diffraction patterns. The magnitude of the effect depends on the elements present in the crystal and the wavelength of the X-rays used to collect the diffraction data, but it is always very weak for crystals of compounds containing no element heavier than oxygen. The precision of absolute structure determination by conventional least squares refinement appears to be unduly pessimistic for light-atom materials. Recent developments based on Bijvoet differences, quotients and Bayesian statistics enable better and more realistic precision to be obtained. The new methods are sensitive to statistical outliers, and techniques for identifying these are summarised.     

Impact of woven fabric: Experiments and mesostructure-based continuum-level simulations

Woven fabric is an increasingly important component of many defense and commercial systems, including deployable structures, restraint systems, numerous forms of protective armor, and a variety of structural applications where it serves as the reinforcement phase of composite materials. With the prevalence of these systems and the desire to explore new applications, a comprehensive, computationally efficient model for the deformation of woven fabrics is needed. However, modeling woven fabrics is difficult due, in particular, to the need to simulate the response both at the scale of the entire fabric and at the meso-level, the scale of the yarns that compose the weave. Here, we present finite elements for the simulation of the three-dimensional, high-rate deformation of woven fabric. We employ a continuum-level modeling technique that, through the use of an appropriate unit cell, captures the evolution of the mesostructure of the fabric without explicitly modeling every yarn. Displacement degrees of freedom and degrees of freedom representing the change in crimp amplitude of each yarn family fully determine the deformed geometry of the mesostructure of the fabric, which in turn provides, through the constitutive relations, the internal nodal forces. In order to verify the accuracy of the elements, instrumented ballistic impact experiments with projectile velocities of 22-550 m/s were conducted on single layers of Kevlar^® fabric. Simulations of the experiments demonstrate that the finite elements are capable of efficiently simulating large, complex structures.     

The Atlas power-flow system-a status report

Atlas is a high-energy, pulsed-power facility under development to study materials properties and hydrodynamics under extreme conditions. Atlas will implode heavy liner loads (m ~ 45 gm) with a peak current of 27-32 MA delivered in 4 μs, and it is energized by 96, 240-kV Marx generators storing a total of 23 MJ. The power-flow system transports current from the Marx generators to the load. It includes a load protection switch to protect the load in case of a prefire; 24 oil-insulated, vertically oriented, radially converging, triplate transmission lines; a transition region that couples the transmission lines to the power-flow channel; and a radially converging, dielectric-insulated, horizontal and conical, power-flow channel. Proposed experiments, the design of the power-flow system, test results, and status are presented     

Cyclisation of dienes using phosphorus-centred radicals to form organophosphorus adducts

Reaction of various dienes with phosphites or related phosphorus hydrides, under free radical cyclisation conditions, affords cyclic organophosphorus adducts. This quick, mild and technically clean approach affords 5- and 6-ring carbocycles and heterocycles in good to excellent yield.     

Papieruntersuchung

Analytical and Bioanalytical Chemistry -     

Das Vorkommen von Aconits?ure im Zuckerrohrsaft und Colonialzucker

Ohne Zusammenfassung     

Eine Methode der Pflanzenanalyse

Ohne Zusammenfassung