Quasi-elastic scattering of the proton drip line nucleus 17F on 12C at 60 MeV

The quasi-elastic scattering angular distribution of the proton drip line nucleus ¹⁷F on a ¹²C target was measured at 60 MeV. The experimental data have been compared with the theoretical analysis based onto optical model and continuum discretized coupled channels (CDCC). The couplings between breakup and elastic scattering channels, and between inelastic and elastic scattering channels resulted very weak. In order to explore the breakup effects the total reaction cross-section was deduced from the angular distribution of the quasi-elastic scattering data, and then compared with the existing data for the other weakly and tightly bound nuclei on ¹²C target using a universal function. From this comparison, we concluded that the breakup effect is not important for weakly bound projectiles on the light target as obtained also with the CDCC analysis.     

Regularization of a two-dimensional strongly damped wave equation with statistical discrete data

In this paper, we consider an inverse problem for a strongly damped wave equation in two dimensional with statistical discrete data. Firstly, we give a representation for the solution and then present a discretization form of the Fourier coefficients. Secondly, we show that the solution does not depend continuously on the data by stating a concrete example, which makes the solution be not stable and thus the present problem is ill-posed in the sense of Hadamard. Next, we use the trigonometric least squares method associated with the Fourier truncation method to regularize the instable solution of the problem. Finally, the convergence rate of the error between the regularized solution and the sought solution is estimated and also investigated numerically.     

[2+2] Photodimerization of Stilbazoles Promoted by Oxalic Acid in Suspension

In this study, a very simple technique to perform efficiently photodimerization of some vinylpyridines is reported. By irradiating a stirred mixture of several stilbazoles with solid oxalic acid dihydrate dispersed in a nonpolar (i.e., cyclohexane) or moderately polar (benzene, dichloromethane, dioxane) solvent, the corresponding dimeric cyclobutane adducts were obtained in high yields and excellent regio- and stereoselectivities. The strategy could also be applied successfully to oily, waxy, or even insoluble stilbazoles. Moreover, the oxalic acid loading could be lowered to substoichiometric amounts. When further optimizations were needed, our strategy was found to be highly flexible to identify other oligocarboxylic acids as alternative additives to improve, or even overturn, the regioselectivity. Oxalic acid and other oligocarboxylic acids were found to be capable of orienting more than 50 stilbazoles toward photodimerization under these conditions.     

Grafting of dodecyl methacrylate onto hydroxylated polybutadiene by miniemulsion polymerization

Homogeneous copolymer latex particles of dodecyl methacrylate (DMA) and low‐molecular‐weight hydroxy‐terminated polybutadiene (HTPB) oligomers were prepared by free‐radical polymerization using miniemulsion methods. Rate data and latex characteristics were consistent with the classical miniemulsion mechanism where nucleation of monomer droplets is the predominant pathway of particle formation. There is essentially no particle formation by secondary nucleation in the water phase. Characterization of the copolymer latex particles using transmission electron microscopy and modulated differential scanning calorimetry suggested that there is a significant amount of grafted poly(DMA)/HTPB polymer contributing to the miscibility of the HTPB and poly(DMA) phases. Particles were more homogeneous at increased HTPB composition, of relatively narrow polydispersity, and could be prepared reproducibly using a number of different initiation systems. The observed trends can all be rationalized in terms of conventional understanding of miniemulsion polymerization systems. © 2004 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem 42: 3404–3416, 2004     

Effect of Armoring Composition on the Yield of Nanodiamonds and Content of Impurities

Efficiency of using detonation nanodiamonds is strongly affected by the amount and elemental composition of impurities. The study considers the possibility of affecting the yield of detonation nanodiamonds and diamond-containing stock and the content and composition of incombustible impurities in the stock and diamonds by varying the composition of the water armor (shell) of the classical TNT–hexogen (50/50) charge. As compounds affecting the above parameters were used hydrazine, urotropin, ammonia, urea, Trilon B (disodium salt of ethylene diamine tetraacetic acid), aminotetrazole, and boric acid. It was found that using urotropin was the optimal as regards a whole set of parameters. In this case, the maximum yield of detonation nanodiamonds (6.9%) and diamond-containing stock (13.4%) was obtained. A close yield of the diamond-containing stock and detonation nanodiamonds was provided by using hydrazine and urea in the armor. Use of boric acid in the armor can substantially diminish the variety of impurity elements in the diamond-containing stock and detonation nanodiamonds at an acceptable yield of the diamond-containing stock (11.1%) and detonation nanodiamonds (6.13%). Use of pure water as the armor is inefficient.     

An effective architecture for learning and evolving flexible job-shop schedules

In recent years, the interaction between evolution and learning has received much attention from the research community. Some recent studies on machine learning have shown that it can significantly improve the efficiency of problem solving when using evolutionary algorithms. This paper proposes an architecture for learning and evolving of Flexible Job-Shop schedules called LEarnable Genetic Architecture (LEGA). LEGA provides an effective integration between evolution and learning within a random search process. Unlike the canonical evolution algorithm, where random elitist selection and mutational genetics are assumed; through LEGA, the knowledge extracted from previous generation by its schemata learning module is used to influence the diversity and quality of offsprings. In addition, the architecture specifies a population generator module that generates the initial population of schedules and also trains the schemata learning module. A large range of benchmark data taken from literature and some generated by ourselves are used to analyze the efficacy of LEGA. Experimental results indicate that an instantiation of LEGA called GENACE outperforms current approaches using canonical EAs in computational time and quality of schedules.     

Top leads for swine influenza A/H1N1 virus revealed by steered molecular dynamics approach

Since March 2009, the rapid spread of infection during the recent A/H1N1 swine flu pandemic has raised concerns of a far more dangerous outcome should this virus become resistant to current drug therapies. Currently oseltamivir (tamiflu) is intensively used for the treatment of influenza and is reported effective for 2009 A/H1N1 virus. However, as this virus is evolving fast, some drug-resistant strains are emerging. Therefore, it is critical to seek alternative treatments and identify roots of the drug resistance. In this paper, we use the steered molecular dynamics (SMD) approach to estimate the binding affinity of ligands to the glycoprotein neuraminidase. Our idea is based on the hypothesis that the larger is the force needed to unbind a ligand from a receptor the higher its binding affinity. Using all-atom models with Gromos force field 43a1 and explicit water, we have studied the binding ability of 32 ligands to glycoprotein neuraminidase from swine flu virus A/H1N1. The electrostatic interaction is shown to play a more important role in binding affinity than the van der Waals one. We have found that four ligands 141562, 5069, 46080, and 117079 from the NSC set are the most promising candidates to cope with this virus, while peramivir, oseltamivir, and zanamivir are ranked 8, 11, and 20. The observation that these four ligands are better than existing commercial drugs has been also confirmed by our results on the binding free energies obtained by the molecular mechanics-Poisson-Boltzmann surface area (MM-PBSA) method. Our prediction may be useful for the therapeutic application.     

Oxidation of Alcohols by Bromine on Alumina

Bromine adsorbed on neutral alumina is an effective reagent for the oxidation of secondary alcohols to ketones.     

Extending the language of DNA molecular recognition by polyamides: unexpected influence of imidazole and pyrrole arrangement on binding affinity and specificity

Pyrrole (Py) and imidazole (Im) polyamides can be designed to target specific DNA sequences. The effect that the pyrrole and imidazole arrangement, plus DNA sequence, have on sequence specificity and binding affinity has been investigated using DNA melting (DeltaT(M)), circular dichroism (CD), and surface plasmon resonance (SPR) studies. SPR results obtained from a complete set of triheterocyclic polyamides show a dramatic difference in the affinity of f-ImPyIm for its cognate DNA (K(eq) = 1.9 x 10(8) M(-1)) and f-PyPyIm for its cognate DNA (K(eq) = 5.9 x 10(5) M(-1)), which could not have been anticipated prior to characterization of these compounds. Moreover, f-ImPyIm has a 10-fold greater affinity for CGCG than distamycin A has for its cognate, AATT. To understand this difference, the triamide dimers are divided into two structural groupings: central and terminal pairings. The four possible central pairings show decreasing selectivity and affinity for their respective cognate sequences: -ImPy > -PyPy- > -PyIm- approximately -ImIm-. These results extend the language of current design motifs for polyamide sequence recognition to include the use of "words" for recognizing two adjacent base pairs, rather than "letters" for binding to single base pairs. Thus, polyamides designed to target Watson-Crick base pairs should utilize the strength of -ImPy- and -PyPy- central pairings. The f/Im and f/Py terminal groups yielded no advantage for their respective C/G or T/A base pairs. The exception is with the -ImPy- central pairing, for which f/Im has a 10-fold greater affinity for C/G than f/Py has for T/A.