Complex morphology of melt-spun nylon-6 fibres investigated by 1H double-quantum-filtered NMR spin-diffusion experiments.

The complex morphology of high-speed melt-spun nylon-6 fibres hydrated with D2O was investigated using 1H double-quantum-filtered spin-diffusion NMR experiments. The magnetisation exchange from selected crystalline domains along the fibrils and interfibrils was simulated with the help of a three-dimensional solution of a spin-diffusion equation approximated by a product of one-dimensional analytical NMR signals, which correspond to a lamellar morphology. This allows to measure the sizes of crystalline and less-mobile amorphous domains along the fibrils, as well as the diameter of the fibrils and interfibril distances. A series of nylon-6 fibres with extreme values of winding speed and draw ratio was investigated. The changes detected in the domain size along the fibrils and interfibrils show the same trend in the data obtained from wide-angle X-ray diffraction and small-angle X-ray scattering.     

An adaptive pruning algorithm for the discrete L-curve criterion

We describe a robust and adaptive implementation of the L-curve criterion. The algorithm locates the corner of a discrete L-curve which is a log–log plot of corresponding residual norms and solution norms of regularized solutions from a method with a discrete regularization parameter (such as truncated SVD or regularizing CG iterations). Our algorithm needs no predefined parameters, and in order to capture the global features of the curve in an adaptive fashion, we use a sequence of pruned L-curves that correspond to considering the curves at different scales. We compare our new algorithm to existing algorithms and demonstrate its robustness by numerical examples.     

Decentered twisted Gaussian Schell-model beams and their propagation through a misaligned first-order optical system

The propagation properties of decentered twisted Gaussian Schell-model (DTGSM) beams passing through a misaligned first-order optical system are studied. The explicit expressions for the cross-spectral density function and Wigner distribution function of the output beam are derived, which retain their form unchanged. It is shown that the DTGSM beams preserve their closed property. The second-order moments matrix and the Wigner distribution function evolve with the usual laws, whereas the first-order moments matrix varies, as if a ray passes through such system. The propagation of DTGSM beams through an aligned first-order optical system is treated as the limiting case that corresponds to the vanishing misalignment parameters.     

Solving Sequences of Refined Multistage Stochastic Linear Programs

Multistage stochastic programs with continuous underlying distributions involve the obstacle of high-dimensional integrals where the integrands' values again are given by solutions of stochastic programs. A common solution technique consists of discretizing the support of the original distributions leading to scenario trees and corresponding LPs which are – up to a certain size – easy to solve. In order to improve the accuracy of approximation, successive refinements of the support result in rapidly expanding scenario trees and associated LPs. Hence, the solvability of the multistage stochastic program is limited by the numerical solvability of sequences of such expanding LPs. This work describes an algorithmic technique for solving the large-scale LP of refinement ν based on the solutions at the previous ν?1 refinements. Numerical results are presented for practical problem statements within financial applications demonstrating significant speedup (depending on the size of the LP instances).     

Simultaneous determination of trace cadmium and mercury in Chinese herbal medicine by non-dispersive atomic fluorescence spectrometry using intermittent flow vapor generator.

A method was proposed for the simultaneous determination of trace cadmium and mercury by vapor generation non-dispersive atomic fluorescence spectrometry using an intermittent flow system. The effects of the parameters on the performance were studied systematically. The parameters such as acid concentration of the reaction medium, flow rate of the carrier gas and shield gas, the observation height and the atomizer temperature, etc. which affected the sensitivity, were optimized. Ascorbic acid, cobalt ion and thiourea were used as enhancement reagents or masking agents to enhance the generation efficiency of the volatile species of Cd and Hg. The mechanisms of their effects on vapor generation were investigated. In the presence of thiourea and ascorbic acid, the influences of some coexisting elements on the determination of cadmium and mercury were investigated. The detection limits (3sigma) were 0.010 microg l(-1) for Cd and 0.019 microg l(-1) for Hg, respectively. The relative standard deviations for Cd and Hg at 1.00 microg l(-1) were 2.6% and 0.97% (n = 11), respectively. The proposed method has been satisfactorily applied to the determination of trace cadmium and mercury in Chinese herbal medicine.     

Medicinal Organometallic Chemistry: Designing Metal Arene Complexes as Anticancer Agents

The field of medicinal inorganic chemistry is rapidly advancing. In particular organometallic complexes have much potential as therapeutic and diagnostic agents. The carbon‐bound and other ligands allow the thermodynamic and kinetic reactivity of the metal ion to be controlled and also provide a scaffold for functionalization. The establishment of structure–activity relationships and elucidation of the speciation of complexes under conditions relevant to drug testing and formulation are crucial for the further development of promising medicinal applications of organometallic complexes. Specific examples involving the design of ruthenium and osmium arene complexes as anticancer agents are discussed.