bluuebunny/crossref_metadata_2025_split huggingface dataset:
Phytochemical Analysis and Antimicrobial Activity of Cardaria draba (L.) Desv. Volatiles
Authors: Radonić Ani , Blažević Ivica , Mastelić Josip , Zekić Marina , Skočibušić Mirjana , Maravić Ana 
Published: June 2011

AbstractTwo different volatile isolates from the aerial parts of Cardaria draba (L.) Desv., obtained either by hydrodistillation (Extract I) or by CH2Cl2 extraction subsequent to hydrolysis by exogenous myrosinase (Extract II), were characterized by GC‐FID and GC/MS analyses. The main volatiles obtained by hydrodistillation, i.e., 4‐(methylsulfanyl)butyl isothiocyanate (1; 28.0%) and 5‐(methylsulfanyl)pentanenitrile (2; 13.8%), originated from the degradation of glucoerucin. In Extract I, also volatiles without sulfur and/or nitrogen were identified. These were mostly hexadecanoic acid (10.8%), phytol (10.2%), dibutyl phthalate (4.5%), and some other compounds in smaller percentages. Extract II contained mostly glucosinolate degradation products. They originated from glucoraphanin, viz., 4‐(methylsulfinyl)butyl isothiocyanate (3; 69.2%) and 5‐(methylsulfinyl)pentanenitrile (4; 4.5%), glucosinalbin, viz., 2‐(4‐hydroxyphenyl)acetonitrile (5; 7.2%), and glucoerysolin, viz., 4‐(methylsulfonyl)butyl isothiocyanate (6; 5.0%). Moreover, the volatile samples were evaluated for their antimicrobial activity using the disc‐diffusion method and determining minimum inhibitory concentrations (MIC). All volatile isolates expressed a wide range of growth inhibition activity against both Gram‐positive and Gram‐negative bacteria and fungi. The MIC values varied between 4 and 128 μg/ml.
Isopenicillin N Synthase Binds δ‐(L‐α‐Aminoadipoyl)‐L‐Cysteinyl‐D‐Thia‐allo‐Isoleucine through both Sulfur Atoms
Authors: Clifton Ian J. , Ge Wei , Adlington Robert M. , Baldwin Jack E. , Rutledge Peter J. 
Published: June 2011

AbstractIsopenicillin N synthase (IPNS) catalyses the synthesis of isopenicillin N (IPN), the biosynthetic precursor to penicillin and cephalosporin antibiotics. IPNS is a non‐heme iron(II) oxidase that mediates the oxidative cyclisation of the tripeptide δ‐L‐α‐aminoadipoyl‐L‐cysteinyl‐D‐valine (ACV) to IPN with a concomitant reduction of molecular oxygen to water. Solution‐phase incubation experiments have shown that, although IPNS can turn over analogues with a diverse range of hydrocarbon side chains in the third (valinyl) position of its substrate, the enzyme is much less tolerant of polar residues in this position. Thus, although IPNS converts δ‐L‐α‐aminoadipoyl‐L‐cysteinyl‐D‐isoleucine (ACI) and AC‐D‐allo‐isoleucine (ACaI) to penam products, the isosteric sulfur‐containing peptides AC‐D‐thiaisoleucine (ACtI) and AC‐D‐thia‐allo‐isoleucine (ACtaI) are not turned over. To determine why these peptides are not substrates, we crystallized ACtaI with IPNS. We report the synthesis of ACtaI and the crystal structure of the IPNS:FeII:ACtaI complex to 1.79 Å resolution. This structure reveals direct ligation of the thioether side chain to iron: the sulfide sulfur sits 2.66 Å from the metal, squarely in the oxygen binding site. This result articulates a structural basis for the failure of IPNS to turn over these substrates.
Psychological distress and experience of sexual and physical assault among Australian prisoners
Authors: Schneider Karen , Richters Juliet , Butler Tony , Yap Lorraine , Richards Alun , Grant Luke , Smith Anthony M. A. , Donovan Basil 
Published: June 2011

ABSTRACTBackgroundPrison populations are made up of individuals from disadvantaged, often abusive backgrounds, who are more likely to suffer from psychological problems than the general community.AimThis study aimed to determine associations between current psychological distress and history of having experienced sexual coercion and/or physical assault among prisoners in two Australian states (Queensland and New South Wales).MethodsWe conducted a random sample survey of prisoners by computer‐assisted telephone interview. Prisoners were asked about forced sexual encounters in or outside prison, and physical assault in prison. Psychological distress was estimated using a dichotomised score obtained from the Kessler 6‐Item Psychological Distress Scale (K6), and a logistic regression analysis was employed to investigate associations.ResultsA total of 2426 prisoners were interviewed of 3055 prisoners invited to participate, a response rate of 79%. We categorised 236 men (12%) and 63 women (19%) as ‘severely’ psychologically distressed according to the K6, and 13% of the men and 60% of the women reported that they had been sexually coerced prior to imprisonment. Physical assault in prison was common, reported by 34% of the men and 24% of the women. On multivariate analysis, prisoners were more likely to be psychologically distressed if they had ever been threatened with sexual assault in prison or physically assaulted in prison. Sexual coercion outside prison was an important associate of psychological distress among men but not among women.ConclusionsAs psychological distress and experiences of assault are closely statistically linked among male prisoners and both are very common among female prisoners, their screening for psychological distress should include efforts to find out about sexual and violent assaults against them both before and during imprisonment. Further, longitudinal research with prisoners is required to establish causal relationships. Copyright © 2011 John Wiley & Sons, Ltd.
Experimental Study on Time Features of Particle Motion in Rotating Drums
Authors: Liu X. Y. , Xu X. , Zhang Y. Y. 
Published: June 2011

AbstractRotating drums are widely used in pharmaceutical industry to coat tablets. The motion of the tablet particle is one of the most important factors affecting coating uniformity. The purpose of the research is to experimentally investigate two important time variables for the coating process, residence time and turnover time, and their dependence on operating parameters (rotation speed and filling degree of the drum). The average residence time was found to decrease with increasing rotation speed and filling degree. The average turnover time was observed to increase approximately linearly with the inverse of the drum speed, but was found to be independent of the filling degree. A dimensionless time variable, the fractional residence time, i.e., the residence time divided by the turnover time, was introduced. Analysis showed that the fractional residence time could be a good indicator of coating uniformity. Results of the present work provide useful information for theoretical modeling which may ultimately serve as a tool for coating optimization.
Synthesis of Nano‐γ‐Ferric Oxide by Thermolysis of the 2‐Mercapto‐5‐Methylpyridine‐N‐Oxide‐Iron(III) Complex via Factorial Design
Authors: Edrissi M. , Soleymani M. 
Published: June 2011

Abstract2‐Mercapto‐5‐methylpyridine‐N‐oxide (MMPNO) and its sodium salt (NaMMPNO) were synthesized. The reaction of the latter with Fe3+ generates Fe(MMPNO)3 chelate. The thermolysis of this chelate at 350 °C yielded highly pure reddish‐brown γ‐Fe2O3 nanocrystallites with an average particle size of 6.2 nm, a particle size range of 4.2 to 14.8 nm, and a specific surface area of 51.5 m2g–1. The thermolysis process was optimized using the 22 fractional design. Quantitative tests and characterization of products were carried out by UV‐vis spectroscopy, XRD, LLS, SEM, TGA, BET, TEM, FT‐IR, elemental microanalysis, and classical analytical measurements.
An Unexpected and Easy Way of Freezing the Configuration of a Triaryl Phosphane Oxide
Authors: Haberhauer Gebhard , Ernst Silvia , Wilch Constanze 
Published: June 2011

AbstractConfigurationally stable triaryl phosphane oxides are important for reactions with transfer of chiral information. Apart from introducing bulky substituents to suppress fast inversion of helicity at room temperature, the use of a second chiral element which induces chirality in the triaryl phosphane oxide, so that it adopts only one configuration, is suitable. With regard to chirality transfer, C2‐symmetric imidazole cyclopeptides were tested for obtaining a configurationally stable phosphane oxide. Density functional calculations showed almost equal energies of the three possible triaryl phosphane oxides (MMM)‐1, (PPP)‐1, and (MP)‐1. Surprisingly, after synthesis only the MMM conformer is present in solution, and its configurational stability was proved by variable‐temperature and 2D NMR experiments as well as CD measurements. In view of the results of the DFT calculations, formation of stable (MMM)‐1 cannot be explained thermodynamically but by kinetic reaction control. This concept of freezing the conformation of a triaryl phosphane oxide can in future be used to easily prepare configurationally stable stereoisomeric propellerlike compounds.
Ruthenium Bidentate Phosphine Complexes for the Coordination and Catalytic Dehydrogenation of Amine– and Phosphine–Boranes
Authors: Ledger Araminta E. W. , Ellul Charles E. , Mahon Mary F. , Williams Jonathan M. J. , Whittlesey Michael K. 
Published: June 2011

AbstractAddition of the amine–boranes H3B⋅NH2tBu, H3B⋅NHMe2 and H3B⋅NH3 to the cationic ruthenium fragment [Ru(xantphos)(PPh3)(OH2)H][BArF4] (2; xantphos=4,5‐bis(diphenylphosphino)‐9,9‐dimethylxanthene; BArF4=[B{3,5‐(CF3)2C6H3}4]−) affords the η1‐BH bound amine–borane complexes [Ru(xantphos)(PPh3)(H3B⋅NH2tBu)H][BArF4] (5), [Ru(xantphos)(PPh3)(H3B⋅NHMe2)H][BArF4] (6) and [Ru(xantphos)(PPh3)(H3B⋅NH3)H][BArF4] (7). The X‐ray crystal structures of 5 and 7 have been determined with [BArF4] and [BPh4] anions, respectively. Treatment of 2 with H3B⋅PHPh2 resulted in quite different behaviour, with cleavage of the BP interaction taking place to generate the structurally characterised bis‐secondary phosphine complex [Ru(xantphos)(PHPh2)2H][BPh4] (9). The xantphos complexes 2, 5 and 9 proved to be poor precursors for the catalytic dehydrogenation of H3B⋅NHMe2. While the dppf species (dppf=1,1′‐bis(diphenylphosphino)ferrocene) [Ru(dppf)(PPh3)HCl] (3) and [Ru(dppf)(η6‐C6H5PPh2)H][BArF4] (4) showed better, but still moderate activity, the agostic‐stabilised N‐heterocyclic carbene derivative [Ru(dppf)(ICy)HCl] (12; ICy=1,3‐dicyclohexylimidazol‐2‐ylidene) proved to be the most efficient catalyst with a turnover number of 76 h−1 at room temperature.
A Biomimetic Principle for the Chemical Modification of Metal Surfaces: Synthesis of Tripodal Catecholates as Analogues of Siderophores and Mussel Adhesion Proteins
Authors: Franzmann Elisa , Khalil Faiza , Weidmann Christoph , Schröder Michael , Rohnke Marcus , Janek Jürgen , Smarsly Bernd M. , Maison Wolfgang 
Published: June 2011

AbstractBy following a biomimetic design principle, tetravalent scaffolds based on an adamantyl and trisalkylmethyl core structure have been synthesized. These scaffolds have been coupled to three catecholamines, thus resembling the characteristic tripodal recognition motif of many natural metal binders, such as mussel adhesion proteins and siderophores, for example, enterobactin. Besides this tripodal recognition element, our scaffolds provide a fourth position for the conjugation of effector molecules. These effectors can be conjugated through biocompatible conjugation techniques to the scaffold and can be used to tailor the properties of different metal surfaces for a range of applications, for example, in implant engineering. Herein, we describe the synthesis of several tripodal metal binders and their immobilization on TiO2 surfaces by using a simple dip‐coating procedure. Furthermore, we demonstrate the conjugation of our surface binders to the dye eosin Y as an effector molecule by peptide coupling. The resulting surfaces have been analyzed by using ellipsometry, time‐of‐flight secondary ion mass spectrometry, IR spectroscopy, and contact‐angle measurements to confirm the specific loading on TiO2 films and nanoparticles with our trivalent surface binders. As a proof of concept, we have demonstrated the functionalization of TiO2 nanoparticles with the eosin Y dye.
The Use of Electronic Brokerage Systems in China: A Modified e‐Commerce Model
Authors: Chen Gene 
Published: June 2011

AbstractI applied the DeLone and McLean (2004) information systems success model to the use of electronic brokerage systems in China. Several modifications to the model are proposed, including the addition of specific measures of customer perceptions concerning both the perceived costs and benefits of using such systems. Structural equation modelling revealed that the DeLone and McLean (2004) model is not a good representation of those who use electronic brokerage systems for cross‐national transactions, but that the modified model is a good fit for all customers. Copyright © 2011 ASAC. Published by John Wiley & Sons, Ltd.
The Efficacy and Safety of Sildenafil in Patients With Pulmonary Arterial Hypertension Associated With the Different Types of Congenital Heart Disease
Authors: Zeng Wei‐Jie , Lu Xian‐Ling , Xiong Chang‐Ming , Shan Guang‐Liang , Liu Zhi‐Hong , Ni Xin‐Hai , Gu Qing , Zhao Zhi‐Hui , Li Jian‐Jun , He Jian‐Guo ,   on behalf of the Sildenafil Therapy on Pulmonary Arterial Hypertension Associated With Different Types of Congenital Heart Disease Study Group
Published: June 2011

AbstractBackground:The difference in underlying pathophysiology in different congenital heart disease (CHD) may have an influence on clinical outcome. It remains unclear whether the effect of sildenafil on pulmonary arterial hypertension (PAH) varies in different types of CHD.Hypothesis:The potential effect of sildenafil on pulmonary arterial hypertension related to CHD may be associated with shunt location.Methods:In this 12‐week, prospective, open label, multicenter trial, 55 patients with CHD were divided into the 3 groups: atrial septal defects group (ASD, n = 15), ventricular septal defects group (VSD, n = 24), and patent ductus arteriosus group (PDA, n = 16). Exercise capacity, hemodynamic parameters, and arterial oxygen saturation were assessed at baseline and after sildenafil therapy (25 mg, 3 times daily).Results:Six‐minute walk distance significantly increased from 377.2 ± 68.7 m to 436.0 ± 70.4 m in patients with ASD, from 371.2 ± 66.0 m to 413.7 ± 83.1 m in VSD, and from 384.3 ± 90.2 m to 440.9 ± 71.8 m in PDA (P<0.01, respectively). Moreover, sildenafil also improved the pulmonary vascular resistance and pulmonary blood flow index in the 3 groups, whereas no significant changes in systemic vascular resistance and systemic arterial pressure were observed. However, arterial oxygen saturation was significantly improved in the ASD group only. The incidence of adverse events was similar among the 3 groups.Conclusions:Sildenafil therapy seems to be effective and safe for PAH secondary to ASD, VSD, and PDA, although some clinical and hemodynamic parameters were changed in a different manner among the 3 groups. © 2011 Wiley Periodicals, Inc.This study was partly supported by National Grant from The Ministry of Science and Technology (2006BAI01A07) and Capital Development Scientific Fund (2005‐1018). The authors have no other funding, financial relationships, or conflicts of interest to disclose.Study Group participants are listed in the Supporting Information Appendix.
The Impact of Better Corporate Social Responsibility Disclosure on the Cost of Equity Capital
Authors: Reverte Carmelo 
Published: June 2011

ABSTRACTIn this paper, we provide evidence on the impact of the quality of corporate social responsibility (CSR) reporting on the cost of equity capital for a sample of Spanish listed firms. We aim to verify whether firms with higher CSR disclosure ratings enjoy significantly lower costs of equity capital, after controlling for the well‐known Fama and French risk factors (i.e. beta, market‐to‐book, and size). Consistent with our main hypothesis, we find a significant negative relationship between CSR disclosure ratings and the cost of equity capital. We also obtain that the negative relationship between CSR reporting quality and the cost of equity capital is more pronounced for those firms operating in environmentally sensitive industries. Our findings contribute to the debate on whether CSR activities are value‐enhancing or value‐neutral by showing that improved CSR can enhance firm value by reducing the firm's cost of equity capital. This implies that CSR reporting is a part of a firm's communication tools in order to decrease information asymmetries between managers and investors. In other words, mandatory social responsibility reporting is called for in order to produce a more precise valuation of a firm. Copyright © 2011 John Wiley & Sons, Ltd and ERP Environment.
Evaluation of the pKa values and ionization sequence of bumetanide using 1H and 13C NMR and UV spectroscopy
Authors: Song Benben , Galande Amit K. , Kodukula Krishna , Moos Walter H. , Miller Susan M. 
Published: June 2011

AbstractNon‐thiazide loop diuretics such as bumetanide and furosemide are well‐established medicaments, with varying substituents that alter their chemical properties in ways that affect biological parameters, including biodistribution, efficacy, and safety. However, literature data supporting the assignment of pKa values and ionization sequence of bumetanide are limited. The present study summarizes available literature data and then characterizes nuclear magnetic resonance (NMR) and ultraviolet (UV) spectral changes over a range of pH values to delineate the apparent sequence of deprotonations. Three macroscopic pKa values, 1.44, 3.74, and 10.37, were determined in water via pH titration experiments monitored by 1H NMR. Both 1H and 13C analyses support assignment of the lowest pKa value to the anilinium ion, as described for another diuretic, piretanide. However, UV data suggest that initial deprotonation of the benzoic acid competes to some extent with deprotonation of the anilinium ion, such that both pathways may operate simultaneously in an aqueous environment. Thus, the observed pKa values likely represent the macroscopic averages of the two competing deprotonation sequences. Calculated pKa values for bumetanide, piretanide, and model compounds are contrary to the deprotonation sequence we and others have determined experimentally, which is not surprising given the complicated factors driving the acid–base properties of these molecules. Drug Dev Res 72: 416–426, 2011. © 2011 Wiley‐Liss, Inc.
Synapses on demand require dendrites at the ready: How defining stages of dendritic development in vitro could inform studies of behaviorally driven information storage in the brain
Authors: Withers Ginger S. , Wallace Christopher S. , Gibbs Elizabeth M. , Emery Isaac R. , Applegate Marja L. 
Published: June 2011

AbstractBill Greenough's work provides a framework for thinking about synaptogenesis not only as a key step in the initial wiring of neural systems according to a species typical plan (i.e., experience‐expectant development), but also as a mechanism for storing information based an individual's unique experience over its lifetime (i.e., experience‐dependent plasticity). Analysis of synaptic development in vitro brings a new opportunity to test the limits of expectant‐expectant development at the level of the individual neuron. We analyzed dendritic growth, synapse formation, and the development of specialized cytoplasmic microdomains during development in cultured hippocampal neurons, to determine if the timing of each of these events is correlated. Taken together, the findings reported here support the hypotheses that (1) dendritic development is rate limiting in synapse formation and (2) synaptic circuits are assembled in a step‐wise fashion consistent with a stage‐specific shift from genomically pre‐programmed to activity‐dependent mechanisms. © 2011 Wiley Periodicals, Inc. Dev Psychobiol 53:443–455, 2011.
A combination of enhancer/silencer modules regulates spatially restricted expression of cadherin‐7 in neural epithelium
Authors: Prasad Maneeshi S. , Paulson Alicia F. 
Published: June 2011

AbstractThe spatially restricted expression of cadherin‐7 to the intermediate domain of the neural epithelium and in migrating neural crest cells during early neural development is potentially regulated by multiple signaling inputs. To identify the regulatory modules involved in regulation of cadherin‐7, evolutionary conserved non‐coding sequences in the cadherin‐7 locus were analyzed. This led to the identification of an evolutionary conserved region of 606 bp (ECR1) that together with the cadherin‐7 promoter recapitulates endogenous cadherin‐7 expression in intermediate neural tube, spinal motor neurons, interneurons, and dorsal root ganglia. Deletion analysis of ECR1 revealed a 19‐bp block that is essential for ECR1 enhancer activity, while two separate blocks of 10 and 12 bp were found to be essential for ECR1 silencer activity in the dorsal and ventral neural epithelium, respectively. Together, these data provide an insight into tissue‐specific regulatory regions that might be involved in regulation of cadherin‐7 gene expression. Developmental Dynamics 240:1756–1768, 2011. © 2011 Wiley‐Liss, Inc.
The Role of Regional Governments in Climate Change Policy
Authors: Galarraga Ibon , Gonzalez‐Eguino Mikel , Markandya Anil 
Published: June 2011

ABSTRACTClimate change is one of the greatest challenges facing us, and it requires urgent policy action. Although climate change policies are mainly being discussed at international level by means of the United Nations Conventions and the Kyoto Protocol, the bulk of the impact will be felt at regional and local level. Regional and local governments are thus important actors. Moreover, regional governments in many parts of the world hold a wide range of the competences to implement policy actions for both adaptation and mitigation. This paper illustrates the important role of regions in climate policies and considers many of the policy instruments being designed and implemented. The paper describes 23 leading regions in climate policy. Finally, the case of Basque climate policy is described as an example of an industrial region in Europe where the degree of decentralization is significant. Copyright © 2011 John Wiley & Sons, Ltd and ERP Environment.
Long‐term conjugated linoleic acid supplementation in humans – effects on body composition and safety
Authors: Jutzeler van Wijlen Remo P. 
Published: June 2011

AbstractIn our contemporary adipogenic environment even modest improvements in body fat mass could be of relevance. In the last years animal and human studies have investigated the potential benefit of CLA on body composition. However, inconclusive results are often derived from short‐term studies. Long‐term intervention trials with supplemental CLA on body composition have not been reviewed exclusively up to now. Therefore, the objective of this study was to review the evidence of prolonged CLA supplementation as well as its influence on body composition in humans, and to summarize results from safety assessments of CLA intake. A literature search was performed to find intervention trials with CLA supplementation and its effects on body composition, as well as on insulin sensitivity. Only prolonged (≥12 wk) studies on body composition were included. The investigated studies indicate a modest reduction and/or prevention of regain of body fat in overweight/obese subjects. Results on the influence of CLA on insulin sensitivity are inconsistent, with newer data rather adding to the safety of CLA. Impaired insulin sensitivity by CLA remains a safety concern, yet is seemingly restricted to diabetic subjects and single‐isomer application. A meta‐a2	lysis of extended studies only is warranted to quantitatively evaluate the effects of CLA on body composition. Future research may elucidate if CLA should be considered as a marginal missing, semi‐essential nutrient in our present diet.