Nonlinear vibration response of shear deformable FGM sandwich toroidal shell segments

Meccanica - The nonlinear vibration investigation of toroidal shell segment (TSS) with an analytical approach is presented in this paper. The TSS is considered as a sandwich structure with FGM core...     

Extragradient Methods and Linesearch Algorithms for Solving Ky Fan Inequalities and Fixed Point Problems

In this paper, we introduce some new iterative methods for finding a common element of the set of points satisfying a Ky Fan inequality, and the set of fixed points of a contraction mapping in a Hilbert space. The strong convergence of the iterates generated by each method is obtained thanks to a hybrid projection method, under the assumptions that the fixed-point mapping is a ??-strict pseudocontraction, and the function associated with the Ky Fan inequality is pseudomonotone and weakly continuous. A?Lipschitz-type condition is assumed to hold on this function when the basic iteration comes from the extragradient method. This assumption is unnecessary when an Armijo backtracking linesearch is incorporated in the extragradient method. The particular case of variational inequality problems is examined in a last section.     

Psoralen and coumarin photochemistry in HSA complexes and DMPC vesicles

The photochemistry and photophysics of several psoralens and coumarins have been examined in human serum albumin (HSA) complexes and dimyristoylphosphatidylcholine (DMPC) vesicles. Fluorescence spectroscopy indicates that there are multiple binding sites with polarities that are intermediate between those of acetonitrile and water for the substrates complexed to HSA. In the case of the 6,7-dimethoxycoumarin-HSA complex, laser flash photolysis experiments provide evidence for the formation of radical cation in addition to triplet. Radical cations are not detected for other coumarin-HSA complexes, either due to a lower yield of formation or to rapid reaction of an initial radical cation with adjacent amino acids. Fluorescence spectra for coumarins indicate that they are primarily solubilized in the polar headgroup region in DMPC vesicles. Consistent with this, radical cations generated by photoionization are detected in transient experiments. For dimethoxycoumarins the radical cation is long-lived, indicating rapid exit from the vesicle and decay in the aqueous phase. However, 4,5',8-trimethylpsoralen and 7-ethoxy-4-hexadecylcoumarin radical cations are much shorter-lived, presumably due to rapid decay by electron recombination in the vesicle. The results for both HSA complexes and vesicles indicate that radical ions may play a role in psoralen and coumarin photochemistry in a cellular environment.     

E1 resonances in neutron-rich nuclei within the phonon damping model

The quasiparticle representation of the phonon darnping model (PDM) is developed to include the superfluid pairing correlations microscopically. The formalism is applied to calculate the photoabsorption and the electromagnetic (EM) differential cross sections of E1 excitations in neutron-rich oxygen and calcium isotopes. The calculated photoabsorption cross sections agree reasonably well with the available data for ^16,18O and ^40,48Ca. The results of calculations show that the change of the fraction of the E1 integrated strength in the region of pygmy dipole resonance (PDR) as a function of mass number A with increasing neutron number N is in agreement with the recent experimental data, and does not follow the prediction by the simple cluster model. The EM differential cross sections obtained within PDM in this work show prominent PDR peaks below 15 MeV for ^20,22O in agreement with the recent experimental observation. It is also shown that, using low-energy RI beams at around 50–60 MeV/nucleon, one can observe clean and even enhanced PDR peaks without the admixture with the GDR in the EM differential cross sections of neutron-rich nuclei.     

Monte Carlo Simulations of Adsorbed Solutions in Heterogeneous Porous Materials

We present results of a Monte Carlo simulation study of binary mixtures of ethane and methane in silica gel. The molecular model treats the adsorbent as a matrix of silica microspheres. The adsorption isotherms, adsorption selectivities and isosteric heats of adsorption have been determined for these systems. The results are compared with predictions from the ideal adsorbed solution (IAS) theory and with experiment. The heats of adsorption are accurately described by the IAS theory. The adsorption isotherms are accurately described by the IAS theory at low bulk pressure but the IAS theory overpredicts the density at high bulk pressure. This latter effect is opposite to that observed in bulk mixtures of this type where nonidealities generally lead to a density increase on mixing. The pressure dependence of the selectivity does not exhibit a maximum at low pressure. We discuss this effect in terms of the adsorbent microstructure.     

Functional group divergence and the structural basis of acridine photocatalysis revealed by direct decarboxysulfonylation

The reactivity of the sulfonyl group varies dramatically from nucleophilic sulfinates through chemically robust sulfones to electrophilic sulfonyl halides—a feature that has been used extensively in medicinal chemistry, synthesis, and materials science, especially as bioisosteric replacements and structural analogs of carboxylic acids and other carbonyls. Despite the great synthetic potential of the carboxylic to sulfonyl functional group interconversions, a method that can convert carboxylic acids directly to sulfones, sulfinates and sulfonyl halides has remained out of reach. We report herein the development of a photocatalytic system that for the first time enables direct decarboxylative conversion of carboxylic acids to sulfones and sulfinates, as well as sulfonyl chlorides and fluorides in one step and in a multicomponent fashion. A mechanistic study prompted by the development of the new method revealed the key structural features of the acridine photocatalysts that facilitate the decarboxylative transformations and provided an informative and predictive multivariate linear regression model that quantitatively relates the structural features with the photocatalytic activity.

Carboxylic acids can now serve as a single point of entry to several sulfonyl functional groups by a one-step organophotocatalytic sulfonylation, revealing structural effects that enable the photocatalysis.