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The cross-sections for ~(46) Ti(n,2 n)~(45) Ti, ~(46) Ti(n,p)~(46 m+g) Sc+~(47) Ti(n,d*)~(46 m+g) Sc, ~(46)Ti(n,p)~(46 m+g) Sc, ~(47) Ti(n,p)~(47) Sc+~(48) Ti(n,d*)~(47) Sc, ~(47) Ti(n,p)~(47) Sc, ~(48) Ti(n,p)~(48) Sc+~(49) Ti(n,d*)~(48) Sc,~(48) Ti(n,p)~(48) Sc, and ~(50) Ti(n,α)~(47) Ca reactions were investigated around neutron energies of 13.5–14.8 Me V by means of the activation technique. Fast neutrons were produced by the~3 H(d,n)~4 He reaction. Neutron energies from different directions in the measurements were obtained in advance using the method of cross-section ratios for ~(90) Zr(n,2 n)~(89 m+g) Zr and ~(93) Nb(n,2 n)~(92 m) Nb reactions. The results obtained are analyzed and compared with the experimental data provided by the literature and verified nuclear data in the JEFF-3.3,CENDL-3.1, ENDF/B-VIII.0 libraries, as well as results calculated by Talys-1.9 code.  相似文献   
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In this study, we reported tea polyphenols (TP) as a novel, cheap, environment-friendly and easy dissolution in common electrolytes reaction-type electrolyte additive for the graphite anode of the lithium-ion batteries. The TP can capture less stable radical anions that are harmful to oxidation stability of ethylene carbonate (EC) to form stable polymer. To a certain extent, it improved the electrochemical performance of the graphite electrode such as reversible capacity and cyclic stability by charge-discharge test, cyclic voltammetry (CV), scanning electron microscope (SEM), and electrochemical impedance microscope (EIS). The first charge capacities of the graphite electrodes in electrolytes without and with TP were 327.1 and 349.1 mAh g?1, respectively. The charge capacities were 306.8 and 344.2 mAh g?1 after 100 cycles and the capacity retention were 93.79 and 98.60%, respectively. The improvement was benefited from the effective scavenging the less stable radical anions and improvement the oxidation stability of EC and formation of a stable, compact and thin solid electrolyte interface (SEI) film with lower resistance.  相似文献   
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The current chemotherapy for Chagas disease is still based on benznidazole, which has low solubility, but complexation with cyclodextrins provides a way of increasing the solubility. The objective of this work was to characterize the inclusion complexes formed between benznidazole (BNZ) and randomly 2-methyled-β-cyclodextrin (RM-β-CD) in aqueous solution and study cytotoxicity and trypanocidal. BNZ:RM-β-CD solution complex systems were prepared and characterized using the phase solubility diagram, nuclear magnetic resonance and a photostability assays, also to investigate the in vitro trypanocidal activity with epimastigote forms of Trypanossoma cruzi and the study of cytotoxicity against mammal cells. The phase-solubility diagram displayed an A L-type feature, providing evidence of the formation of soluble inclusion complexes. The continuous variation method showed the existence of a complex with 1:1 stoichiometry. Toxicity assays demonstrated that inclusion complexes were able to reduce the toxic effects caused by benznidazole alone and that this did not interfere with the trypanocidal activity of the benznidazole. The use of inclusion complexes benznidazole:cyclodextrin is thus a promising alternative for the development of a safe and stable liquid formulation and a new option for the treatment of Chagas disease.  相似文献   
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In this paper, we compare two approaches for determining the amplitude equations; namely, the integral equation method and the method of multiple scales. To describe and compare the methods, we consider three examples: the parametric resonance of a Van der Pol oscillator under state feedback control with a time delay, the primary resonance of a harmonically forced Duffing oscillator under state feedback control with a time delay, and the primary resonance together with 1:1 internal resonance of a two degree-of-freedom model. Using the integral equation method and the method of multiple scales, the amplitude equations are obtained. The stability of the periodic solution is examined by using the Floquet theorem together with the Routh–Hurwitz criterion (without time delay) and the Nyquist criterion (with time delay). By comparison with the solution obtained by the numerical integration, we find that the accuracy of the integral equation method is much better.  相似文献   
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Computational docking is a useful tool for predicting macromolecular complexes, which are often difficult to determine experimentally. Here, we present the DOT2 software suite, an updated version of the DOT intermolecular docking program. DOT2 provides straightforward, automated construction of improved biophysical models based on molecular coordinates, offering checkpoints that guide the user to include critical features. DOT has been updated to run more quickly, allow flexibility in grid size and spacing, and generate an infinitive complete list of favorable candidate configurations. Output can be filtered by experimental data and rescored by the sum of electrostatic and atomic desolvation energies. We show that this rescoring method improves the ranking of correct complexes for a wide range of macromolecular interactions and demonstrate that biologically relevant models are essential for biologically relevant results. The flexibility and versatility of DOT2 accommodate realistic models of complex biological systems, improving the likelihood of a successful docking outcome. © 2013 Wiley Periodicals, Inc.  相似文献   
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Monolithic stationary phases based on octadecyl acrylate for CEC using different initiating systems (UV irradiation, thermal, and chemical initiation) in the presence of lauroyl peroxide as initiator were synthesized. For each initiation mode, the influence of the porogenic solvent composition on both the morphological and electrochromatographic properties of the resulting monoliths was investigated. Under optimal conditions, excellent efficiencies for the photochemically and chemically polymerized monoliths (minimum plate heights of 6.9–10.7 and 6.5–12.6 μm, respectively) were achieved. Thermally initiated columns gave lower efficiency values, permeabilities, and longer analysis times compared to these initiating systems. The produced monolithic stationary phases were evaluated in terms of reproducibility and gave RSD values below 9.2, 10.6, and 9.8% for UV, thermally, and chemically initiated columns, respectively.  相似文献   
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