bluuebunny/crossref_metadata_2025_split huggingface dataset:
Elucidating the Beneficial Effect of Vinylene Carbonate on the Electrochemistry of Antimony Electrodes in Lithium Batteries
Authors: Martín Francisco , Morales Julián , Sánchez Luis 
Published: November 2008

AbstractVinylene carbonate (VC) is an effective electrolyte additive for improving electrode performance in lithium‐ion batteries. We confirm its beneficial effects in a nanosized Sb–cellulose fiber composite electrode and examine its mechanism of action by X‐ray photoelectron spectroscopy, the most suitable technique for characterizing active particle surfaces (especially electrode/electrolyte interfaces). Vinylene carbonate clearly increases electrolyte stability (particularly that of LiPF6) by avoiding the formation of a thick layer of LiF that conceals Sb and prevents its reaction with Li. Decreasing the layer thickness therefore increases the reversibility of the electrochemical reaction and improves capacity retention on cycling. The presence of VC afforded high‐quality Sb 4d and Li 1s photoemissions, fitting of which clearly exposed a previously unreported low‐energy component. We believe that this component is an LixSb alloy, which for the first time is identified spectroscopically.
Hangman Salen Platforms Containing Dibenzofuran Scaffolds
Authors: Yang Jenny Y. , Liu Shih‐Yuan , Korendovych Ivan V. , Rybak‐Akimova Elena V. , Nocera Daniel G. 
Published: November 2008

AbstractThe synthesis of salen ligands bearing two rigid dibenzofuran spacers functionalized with carboxylic acid and benzoic acid groups completes a series of “Hangman” ligands with the acid functionalities differentially extended across the molecular cleft. Stopped‐flow studies show that a high‐valent metal oxo intermediate is produced at Hangman platforms when H2O2is employed as a primary oxidant. The activity of this oxo species in promoting the disproportionation of hydrogen peroxide and olefin epoxidations is discussed in the context of the distance between the acid group and the metal center. The chemistry of the Hangman oxo complexes described here provides a roadmap for water‐splitting chemistry.
Recent Advances in CO2 Capture and Utilization
Authors: Yu Kai Man Kerry , Curcic Igor , Gabriel Joseph , Tsang Shik Chi Edman 
Published: November 2008

AbstractEnergy and the environment are two of the most important issues this century. More than 80 % of our energy comes from the combustion of fossil fuels, which will still remain the dominant energy source for years to come. It is agreed that carbon dioxide produced from the combustion process to be the most important anthropogenic greenhouse gas leading to global warming. Atmospheric CO2 concentrations have indeed increased by almost 100 ppm since their pre‐industrial level, reaching 384 ppm in 2007 with a total annual emission of over 35 Gt. Prompt global action to resolve the CO2 crisis is therefore needed. To pursue such an action, we are urged to save energy without the unnecessary production of carbon emissions and to use energy in more efficient ways, but alternative methods to mitigate the greenhouse gas have to be considered. This Minireview highlights some recent promising research activities and their prospects in the areas of carbon capture and storage and chemical fixation of CO2 in constructing a future low‐carbon global economy with reference to energy source, thermodynamic considerations, net carbon emissions and availability of reagents.
Metastable Sr0.5TaO3 Perovskite Oxides Prepared by Nanosheet Processing
Authors: Inaba Keigo , Suzuki Shinya , Noguchi Yuji , Miyayama Masaru , Toda Kenji , Sato Mineo 
Published: November 2008

AbstractMetastable Sr0.5TaO3 with a perovskite structure was prepared by using layer‐structured H2Sr1.5Ta3O10 by two different processes: direct dehydration and nanosheet processing, and the photocatalytic activities of the obtained structures were investigated for the evolution of H2 and O2 from distilled water under UV light irradiation. The average gas evolution rates were 66 μmol h–1 (H2) and 16 μmol h–1 (O2) for Sr0.5TaO3 prepared by direct dehydration, whereas those obtained by nanosheet processing were 126 μmol h–1 (H2) and 33 μmol h–1 (O2). It was shown that nanosheet processing is effective for obtaining metastable Sr0.5TaO3 with high photocatalytic activities. (© Wiley‐VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2009)
Reaction of 1,2‐Diaza‐1,3‐butadienes with Aminophosphorus Nucleophiles: A Practical Access to New Phosphorylated Pyrazolones
Authors: Attanasi Orazio A. , Baccolini Graziano , Boga Carla , De Crescentini Lucia , Giorgi Gianluca , Mantellini Fabio , Nicolini Simona 
Published: November 2008

AbstractThe reaction of 1,2‐diaza‐1,3‐butadienes with dibenzyl diisopropylphosphoramidite, methyl tetraisopropylphosphorodiamidite or tris(dimethylamino)phosphane under solvent‐free conditions gave stable α‐phosphoranylidene‐hydrazones that, in turn, were transformed into the corresponding 5‐oxo‐4‐phosphoranylidene‐4,5‐dihydro‐1H‐pyrazoles. X‐ray diffraction analysis of one of these derivatives is reported. α‐Phosphoranylidene‐hydrazones, derived from the reaction between 1,2‐diaza‐1,3‐butadienes with dibenzyl diisopropylphosphoramidite, were converted by hydrolytic cleavage into (E)‐hydrazono‐phosphonates, which are useful for the preparation of the corresponding (3‐oxo‐2,3‐dihydro‐1H‐pyrazol‐4‐yl)phosphonamidates.(© Wiley‐VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2009)
Magnetically Assembled Multisegmented Nanowires and Their Applications
Authors: Bangar Mangesh A. , Hangarter Carlos M. , Yoo Bongyoung , Rheem Youngwoo , Chen Wilfred , Mulchandani Ashok , Myung Nosang V. 
Published: November 2008

AbstractHere we report a cost effective and versatile way of synthesizing and assembling multi‐functional (e.g., gold‐polypyrrole‐nickel‐gold) nanowires. Multisegmented nanowires were synthesized using electrodeposition method for precise control over segment dimensions for proper expression of material functionality. The nanowires were integrated on microfabricated electrodes using magnetic dipole interactions between the ferromagnetic segment in the nanowire and the ferromagnetic electrodes. The electrical properties of multisegmented nanowires showed semiconducting behavior with the activation energy of ca. 0.27 eV for the conducting polymer segment of the nanowire. These nanowire devices showed response towards light and exposure to ammonia, demonstrating their potential use as photonic device and gas sensor, respectively.
Double‐Layer Nanogold and Double‐Strand DNA‐Modified Electrode for Electrochemical Immunoassay of Cancer Antigen 15‐3
Authors: Yang Yadong , Zhong Zhaoyang , Liu Hongming , Zhu Tangyou , Wu Jinjin , Li Mengxia , Wang Dong 
Published: November 2008

AbstractVarious sensor‐based immunoassay methods have been extensively developed for the detection of cancer antigen 15‐3 (CA 15‐3), but most often exhibit low detection signals and low detection sensitivity, and are unsuitable for routine use. The aim of this work is to develop a simple and sensitive electrochemical immunoassay for CA 15‐3 in human serum by using nanogold and DNA‐modified immunosensors. Prussian blue (PB), as a good mediator, was initially electrodeposited on a gold electrode surface, then double‐layer nanogold particles and double‐strand DNA (dsDNA) with the sandwich‐type architecture were constructed on the PB‐modified surface in turn, and then anti‐CA 15‐3 antibodies were adsorbed onto the surface of nanogold particles. The double‐layer nanogold particles provided a good microenvironment for the immobilization of biomolecules. The presence of dsDNA enhanced the surface coverage of protein, and improved the sensitivity of the immunosensor. The performance and factors influencing the performance of the immunosensor were evaluated. Under optimal conditions, the proposed immunosensor exhibited a wide linear range from 1.0 to 240 ng/mL with a relatively low detection limit of 0.6 ng/mL (S/N=3) towards CA 15‐3. The stability, reproducibility and precision of the as‐prepared immunosensor were acceptable. 57 serum specimens were assayed by the developed immunosensor and standard enzyme‐linked immunosorbent assay (ELISA), respectively, and the results obtained were almost consistent. More importantly, the proposed methodology could be further developed for the immobilization of other proteins and biocompounds.
A model for the dynamics of rowing boats
Authors: Formaggia Luca , Miglio Edie , Mola Andrea , Montano Antonio 
Published: November 2008

AbstractA model of a rowing scull has been developed, comprising the full motion in the symmetry plane and the interaction with the hydrodynamics. A particular emphasis has been given to the energy dissipation due to the secondary movements activated by the motion of the rowers and the intermittent forcing terms. Numerical simulations show the effectiveness of the proposed procedure. Copyright © 2008 John Wiley & Sons, Ltd.
GLT‐1 upregulation impairs prepulse inhibition of the startle reflex in adult rats
Authors: Bellesi Michele , Melone Marcello , Gubbini Alessandro , Battistacci Silvia , Conti Fiorenzo 
Published: November 2008

AbstractWe tested the hypothesis that glutamate transporter GLT‐1 (also known as EAAT2) plays a role in the regulation of prepulse inhibition (PPI) of the acoustic startle reflex, a simple form of information processing which is reduced in schizophrenia. To do this, we studied PPI in rats treated with ceftriaxone (200 mg/kg/day for 8 days), an antibiotic that selectively enhances GLT‐1 expression and activity. We showed that ceftriaxone‐induced GLT‐1 upregulation is associated with impaired PPI of the startle, that this effect is reversed by dihydrokainate, a GLT‐1 antagonist, that GLT‐1 expression correlates negatively with PPI, and that PPI normalizes when GLT‐1a levels return to baseline. Our data indicate that GLT‐1 regulates PPI of the startle reflex. © 2008 Wiley‐Liss, Inc.
Microglial expression of αvβ3 and αvβ5 integrins is regulated by cytokines and the extracellular matrix: β5 Integrin null microglia show no defects in adhesion or MMP‐9 expression on vitronectin
Authors: Milner Richard 
Published: November 2008

AbstractAs the primary immune effector cells in the CNS, microglia play a central role in regulating inflammation. The extracellular matrix (ECM) protein vitronectin is a strong inducer of microglial activation, switching microglia from a resting into an activated potentially destructive phenotype. As the activating effect of vitronectin is mediated by αv integrins, the aim of the current study was to evaluate the requirement of the αvβ5 integrin in mediating microglial adhesion and activation to vitronectin, by studying these events in β5 integrin‐null murine microglia. Surprisingly, β5 integrin null microglia were not defective in adhesion to vitronectin. Further analysis showed that microglia express the αvβ3 integrin, in addition to αvβ5. Flow cytometry revealed that microglial αv integrin expression is regulated by cytokines and ECM proteins. αvβ3 integrin expression was downregulated by IFN‐γ, TNF, LPS, and TGF‐β1. αvβ5 expression was also reduced by IFN‐γ, TNF, and LPS, but strongly increased by the antiactivating factors TGF‐β1 and laminin. Gel zymography revealed that β5 integrin null microglia showed no deficiency in their expression of matrix metalloproteinase (MMP)‐9 in response to vitronectin. Taken together, these data show that microglia express two different αv integrins, αvβ3 and αvβ5, and that expression of these integrins is independently regulated by cytokines and ECM proteins. Furthermore, it reveals that the αvβ5 integrin is not essential for mediating microglial adhesion and MMP‐9 expression in response to vitronectin. © 2008 Wiley‐Liss, Inc.
Collation, assessment and analysis of literaturein vitrodata on hERG receptor blocking potency for subsequent modeling of drugs' cardiotoxic properties
Authors: Polak Sebastian , Wiśniowska Barbara , Brandys Jerzy 
Published: November 2008

AbstractThe assessment of the torsadogenic potency of a new chemical entity is a crucial issue during lead optimization and the drug development process. It is required by the regulatory agencies during the registration process. In recent years, there has been a considerable interest in developingin silicomodels, which allow prediction of drug–hERG channel interaction at the early stage of a drug development process. The main mechanism underlying an acquired QT syndrome and a potentially fatal arrhythmia called torsades de pointes is the inhibition of potassium channel encoded by hERG (the human ether‐a‐go‐go‐related gene). The concentration producing half‐maximal block of the hERG potassium current (IC50) is a surrogate marker for proarrhythmic properties of compounds and is considered a test for cardiac safety of drugs or drug candidates. The IC50values, obtained from data collected during electrophysiological studies, are highly dependent on experimental conditions (i.e. model, temperature, voltage protocol). For thein silicomodels' quality and performance, the data quality and consistency is a crucial issue. Therefore the main objective of our work was to collect and assess the hERG IC50data available in accessible scientific literature to provide a high‐quality data set for further studies. Copyright © 2008 John Wiley & Sons, Ltd.
In vitroinflammatory response of nanostructured titania, silicon oxide, and polycaprolactone
Authors: Ainslie Kristy M. , Tao Sarah L. , Popat Ketul C. , Daniels Hugh , Hardev Veeral , Grimes Craig A. , Desai Tejal A. 
Published: November 2008

AbstractNanostructured materials are ubiquitous in tissue engineering, drug delivery, and biosensing applications. Nonetheless, little is known about the inflammatory response of materials differing in surface nanoarchitecture. Here we report human monocyte viability and morphology, in addition to inflammatory cytokines (IL‐1α and B, IL‐6, IL‐10, IFN‐α and γ, TNF‐α, IL‐12, MIP‐1α and β), and reactive oxygen species production on several nanostructured surfaces, compared to flat surfaces of the same material. The surfaces studied were titiania nanotubes, short and long silicon oxide, and polycaprolactone nanowires. The results indicate that inflammation on titanium, polycaprolactone, and silicon oxide materials can be reduced by restructuring the surface with nanoarchitecture. Nanostructured surfaces display a reduced inflammation response compared to a respective flat control, with significant differences between titanium and nanotubular titanium. Little difference is observed in the inflammatory response between short and long nanowires of PCL and silicon oxide. All surfaces are significantly less inflammatory than the positive control, lipopolysaccharide. Additionally, we show that flat titanium is more inflammatory than silicon oxide and polycaprolactone. This study shows that nanoarchitecture can be used to reduce the inflammatory response of human monocytesin vitro. © 2008 Wiley Periodicals, Inc. J Biomed Mater Res, 2009
Sustained release of antibiotics from injectable and thermally responsive polypeptide depots
Authors: Adams Samuel B. , Shamji Mohammed F. , Nettles Dana L. , Hwang Priscilla , Setton Lori A. 
Published: November 2008

AbstractBiodegradable polymeric scaffolds are of interest for delivering antibiotics to local sites of infection in orthopaedic applications, such as bone and diarthrodial joints. The objective of this study was to develop a biodegradable scaffold with ease of drug loading in aqueous solution, while providing for drug depot delivery via syringe injection. Elastin‐like polypeptides (ELPs) were used for this application, biopolymers of repeating pentapeptide sequences that were thermally triggered to undergo in situ depot formation at body temperature. ELPs were modified to enable loading with the antibiotics, cefazolin, and vancomycin, followed by induction of the phase transition in vitro. Cefazolin and vancomycin concentrations were monitored, as well as bioactivity of the released antibiotics, to test an ability of the ELP depot to provide for prolonged release of bioactive drugs. Further tests of formulation viscosity were conducted to test suitability as an injectable drug carrier. Results demonstrate sustained release of therapeutic concentrations of bioactive antibiotics by the ELP, with first‐order time constants for drug release of ∼25 h for cefazolin and ∼500 h for vancomycin. These findings illustrate that an injectable, in situ forming ELP depot can provide for sustained release of antibiotics with an effect that varies across antibiotic formulation. ELPs have important advantages for drug delivery, as they are known to be biocompatible, biodegradable, and elicit no known immune response. These benefits suggest distinct advantages over currently used carriers for antibiotic drug delivery in orthopedic applications. © 2008 Wiley Periodicals, Inc. J Biomed Mater Res Part B: Appl Biomater, 2009
Software news and updates electronegativity equalization method: Parameterization and validation for organic molecules using the Merz‐Kollman‐Singh charge distribution scheme
Authors: Jiroušková Zuzana , Vařeková Radka Svobodová , Vaněk Jakub , Koča Jaroslav 
Published: November 2008

AbstractThe electronegativity equalization method (EEM) was developed by Mortier et al. as a semiempirical method based on the density‐functional theory. After parameterization, in which EEM parameters Ai, Bi, and adjusting factor κ are obtained, this approach can be used for calculation of average electronegativity and charge distribution in a molecule. The aim of this work is to perform the EEM parameterization using the Merz‐Kollman‐Singh (MK) charge distribution scheme obtained from B3LYP/6‐31G* and HF/6‐31G* calculations. To achieve this goal, we selected a set of 380 organic molecules from the Cambridge Structural Database (CSD) and used the methodology, which was recently successfully applied to EEM parameterization to calculate the HF/STO‐3G Mulliken charges on large sets of molecules. In the case of B3LYP/6‐31G* MK charges, we have improved the EEM parameters for already parameterized elements, specifically C, H, N, O, and F. Moreover, EEM parameters for S, Br, Cl, and Zn, which have not as yet been parameterized for this level of theory and basis set, we also developed. In the case of HF/6‐31G* MK charges, we have developed the EEM parameters for C, H, N, O, S, Br, Cl, F, and Zn that have not been parameterized for this level of theory and basis set so far. The obtained EEM parameters were verified by a previously developed validation procedure and used for the charge calculation on a different set of 116 organic molecules from the CSD. The calculated EEM charges are in a very good agreement with the quantum mechanically obtained ab initio charges. © 2008 Wiley Periodicals, Inc. J Comput Chem, 2009
Prediction of antibacterial compounds by machine learning approaches
Authors: Yang Xue‐Gang , Chen Duan , Wang Min , Xue Ying , Chen Yu‐Zong 
Published: November 2008

AbstractThe machine learning (ML) as well as quantitative structure activity relationship (QSAR) method has been explored for predicting compounds with antibacterial activities at impressive performance. It is desirable to test additional ML methods, select most representative sets of molecular descriptors, and subject the developed prediction models to rigorous evaluations. This work evaluated three ML methods, support vector classification (SVC), k‐nearest neighbor (k‐NN), and C4.5 decision tree, which were trained and tested by 230 antibacterial and 381 nonantibacterial compounds. A well‐established feature selection method was used to select representative molecular descriptors from a larger pool than that used in reported studies. The performance of the developed prediction models was tested by 5‐fold cross‐validation and independent evaluation set. SVC produced the best prediction accuracies of 96.66 and 98.15% for antibacterial compounds, and 99.50 and 98.02% for nonantibacterial compounds respectively, which are slightly improved against those of the reported ML as well as QSAR models and outperform the k‐NN and C4.5 decision tree models developed in this work. Our study suggests that ML methods, particularly SVC, are potentially useful for facilitating the discovery of antibacterial agents. © 2008 Wiley Periodicals, Inc. J Comput Chem, 2009
Influence of cell volume changes on autophagic proteolysis in the perfused liver of air‐breathing walking catfish (Clarias batrachus)
Authors: Biswas Kuheli , Khongsngi James L. , Häussinger Dieter , Saha Nirmalendu 
Published: November 2008

AbstractExposure of perfused liver of walking catfish (Clarias batrachus) to hypotonicity (−80 mOsmol/L) caused swelling of liver cells as evidenced by the increase in liver mass by 11.5%, and inhibition of [3H]leucine release (as a measure of proteolysis) by 37% from the radiolabeled perfused liver. Whereas, exposure of perfused liver to hypertonicity (+80 mOsmol/L) caused shrinkage of liver cells as evidenced by the decrease in liver mass by 10.4%, and stimulation of [3H]leucine release by 24%. Infusion of amino acids such as glutamine plus glycine (2 mM each) also caused increase in liver cell volume as evidenced by the increase in liver mass by 8.9%, and inhibition of [3H]leucine release by 29%. Adjustment of anisotonicity of the media without changing the NaCl concentration in the media had almost similar effects on proteolysis in the perfused liver. A direct correlation of cell volume changes or hydration status of liver cells with that of proteolysis was observed in the perfused liver regardless of whether the cell volume increase/decrease was evoked by anisotonic perfusion media or by the addition of amino acids. Thus, it appears that the increase/decrease in hepatic cell volume could be one of the important modulators for adjusting the autophagic proteolysis in walking catfish probably to avoid the adverse affects of osmotically induced cell volume changes, to preserve the hepatic cell function and for proper energy supply under osmotic stress. This is the first report of cell volume‐sensitive changes of autophagic proteolysis in hepatic cells of any teleosts. J. Exp. Zool. 311A:115–124, 2009. © 2008 Wiley‐Liss, Inc.
Special quality traits of coloured potato breeding clones: Anthocyanins, soluble phenols and antioxidant capacity
Authors: Wegener Christina B. , Jansen Gisela , Jürgens Hans‐Ulrich , Schütze Wolfgang 
Published: November 2008

AbstractBACKGROUD: Coloured potato varieties rich in anthocyanins are of increasing interest in breeding to upgrade the nutritional quality of tubers. The objective of this study was to examine purple fleshed breeding clones for anthocyanins, soluble phenols and their antioxidant capacity, and to compare them in this respect with purple and white/yellow fleshed potato cultivars.RESULTS: Within the coloured potato group, the breeding clones had the highest contents of anthocyanins, with values ranging from 0.94 to 1.75 g kg−1 fresh weight. In cultivars and clones with purple flesh the amounts of soluble phenols were 2.6‐times higher than in white/yellow fleshed potatoes. In addition, coloured clones exhibited 4.4‐fold higher antioxidant activity, which was correlated with phenols and anthocyanins. But there were no major differences between the two potato groups in dry matter, starch, crude protein and reducing sugars.CONCLUSIONS: The involvement of purple fleshed potatoes in breeding led to increased anthocyanin and phenol contents of the resulting progeny. The high level of bioactive plant phenols coincided with an enhanced antioxidant activity, known for its positive health effects. Copyright © 2008 Society of Chemical Industry