bluuebunny/crossref_metadata_2025_split huggingface dataset:
Reactions of Hydrated Singly Charged First‐Row Transition‐Metal Ions M+(H2O)n (M=V, Cr, Mn, Fe, Co, Ni, Cu, and Zn) toward Nitric Oxide in the Gas Phase
Authors: van der Linde Christian , Höckendorf Robert F. , Balaj O. Petru , Beyer Martin K. 
Published: January 2013

AbstractReactions of M+(H2O)n (M=V, Cr, Mn, Fe, Co, Ni, Cu, Zn; n≤40) with NO were studied by Fourier transform ion cyclotron resonance (FT‐ICR) mass spectrometry. Uptake of NO was observed for M=Cr, Fe, Co, Ni, Zn. The number of NO molecules taken up depends on the metal ion. For iron and zinc, NO uptake is followed by elimination of HNO and formation of the hydrated metal hydroxide, with strong size dependence. For manganese, only small HMnOH+(H2O)n−1 species, which are formed under the influence of room‐temperature black‐body radiation, react with NO. Here NO uptake competes with HNO formation, both being primary reactions. The results illustrate that, in the presence of water, transition‐metal ions are able to undergo quite particular and diverse reactions with NO. HNO is presumably formed through recombination of a proton and 3NO− for M=Fe, Zn, preferentially for n=15–20. For manganese, the hydride in HMnOH+(H2O)n−1 is involved in HNO formation, preferentially for n≤4. The strong size dependence of the HNO formation efficiency illustrates that each molecule counts in the reactions of small ionic water clusters.
Polycyclic Peptide Therapeutics
Authors: Baeriswyl Vanessa , Heinis Christian 
Published: January 2013

AbstractOwing to their excellent binding properties, high stability, and low off‐target toxicity, polycyclic peptides are an attractive molecule format for the development of therapeutics. Currently, only a handful of polycyclic peptides are used in the clinic; examples include the antibiotic vancomycin, the anticancer drugs actinomycin D and romidepsin, and the analgesic agent ziconotide. All clinically used polycyclic peptide drugs are derived from natural sources, such as soil bacteria in the case of vancomycin, actinomycin D and romidepsin, or the venom of a fish‐hunting coil snail in the case of ziconotide. Unfortunately, nature provides peptide macrocyclic ligands for only a small fraction of therapeutic targets. For the generation of ligands of targets of choice, researchers have inserted artificial binding sites into natural polycyclic peptide scaffolds, such as cystine knot proteins, using rational design or directed evolution approaches. More recently, large combinatorial libraries of genetically encoded bicyclic peptides have been generated de novo and screened by phage display. In this Minireview, the properties of existing polycyclic peptide drugs are discussed and related to their interesting molecular architectures. Furthermore, technologies that allow the development of unnatural polycyclic peptide ligands are discussed. Recent application of these technologies has generated promising results, suggesting that polycyclic peptide therapeutics could potentially be developed for a broad range of diseases.
The role of glacial cycles in promoting genetic diversity in the Neotropics: the case of cloud forests during the Last Glacial Maximum
Authors: Ramírez‐Barahona Santiago , Eguiarte Luis E. 
Published: January 2013

AbstractThe increasing aridity during the Last Glacial Maximum (LGM) has been proposed as a major factor affecting Neotropical species. The character and intensity of this change, however, remains the subject of ongoing debate. This review proposes an approach to test contrasting paleoecological hypotheses by way of their expected demographic and genetic effects on Neotropical cloud forest species. We reviewed 48 paleoecological records encompassing the LGM in the Neotropics. The records show contrasting evidence regarding the changes in precipitation during this period. Some regions remained fairly moist and others had a significantly reduced precipitation. Many paleoecological records within the same region show apparently conflicting evidence on precipitation and forest stability. From these data, we propose and outline two demographic/genetic scenarios for cloud forests species based on opposite precipitation regimes: the dry refugia and the moist forests hypotheses. We searched for studies dealing with the population genetic structure of cloud forest and other montane taxa and compared their results with the proposed models. To date, the few available molecular studies show insufficient genetic evidence on the predominance of glacial aridity in the Neotropics. In order to disentangle the climatic history of the Neotropics, the present study calls for a general multi‐disciplinary approach to conduct future phylogeographic studies. Given the contradictory paleoecological information, population genetic data on Neotropical cloud forest species should be used to explicitly test the genetic consequences of competing paleoecological models.
The Use of Polyoxometalates in the Design of Layer‐Like Hybrid Salts Containing Cationic Mn4 Single‐Molecule Magnets
Authors: Cardona‐Serra Salvador , Clemente‐Juan Juan Modesto , Coronado Eugenio , Martí‐Gastaldo Carlos , Navarro‐Moratalla Efrén 
Published: January 2013

AbstractHerein, we describe the combination of polyoxometalates (POMs) with a polynuclear metallic cluster Mn4 {Mn4 = [Mn4(OAc)2(pdmH)6]2+, (pdmH = deprotonated pyridine‐2,6‐dimethanol; C7H8NO2)} for the construction of ionic crystals with layered architectures. Choosing a POM with the appropriate charge and size not only allows for the fine tuning of the stacking periodicity, but it also allows modifying the in‐plane packing motif and density of the cationic metallic clusters. The isolation of differently layered hybrid crystals with the same Mn4 single‐molecule‐magnet (SMM) system allowed for the direct comparison of the magnetic properties of such materials. The variation of the slow relaxation properties of the SMM clusters may be attributed to the variability of the low‐energy spin states, which are particularly sensitive to the specific counternanion used.
Impact of endogenous canola phenolics on the oxidative stability of oil‐in‐water emulsions
Authors: Sørensen Ann‐Dorit Moltke , Friel James , Winkler‐Moser Jill K. , Jacobsen Charlotte , Huidrom Dayanidhi , Reddy Narsi , Thiyam‐Holländer Usha 
Published: January 2013

AbstractThe aim of this study was to evaluate the antioxidative effect of phenolics naturally present in canola seeds and meal. Individual phenolics were extracted from ground, defatted canola seeds, and meal. Fractionated extracts rich in sinapic acid, sinapine, or canolol as well as a non‐fractionated extract were used. These extracts (100 and 350 µM) were evaluated as antioxidants in stripped canola oil‐in‐water (o/w) emulsion. For comparison, the antioxidative effect of phenolic standards for sinapic acid and sinapine (as sinapine thiocyanate) and butylated hydroxytoluene (BTH) as a positive control were also evaluated. The concentration of lipid hydroperoxides and selected volatiles measured at different time points was used to evaluate the antioxidative effect. Moreover, the properties of extracts and corresponding phenolic standards were evaluated in three different in vitro antioxidant assays. All extracts and standard antioxidants had radical scavenging activity and reducing power. The antioxidant standards and extracts inhibited lipid oxidation in the emulsions compared to no antioxidant added. At 100 µM the effectiveness of the extracts was as follows: sinapine>whole extract>sinapic acid>canolol>Con2 (no antioxidant). At 350 µM the ranking was as follows: canolol ≥ sinapine ≥ whole extract ≥ sinapic acid > Con2. Sinapine and sinapic acid extracts were more efficient antioxidants than the corresponding pure standards. However, the most efficient antioxidant in this study was BHT. The differences in effectiveness may be ascribed to mainly the different chain attached to the phenolic ring, which results in different polarity and thus different location in the emulsions.Practical applications: The result showed stronger antioxidant activity of canola extracts than phenolic standards. Therefore, these canola extracts can be used for protecting canola oil emulsion or other emulsions against lipid oxidation. However, the results indicate that the antioxidant activity of the extracts rich in sinapine and canolol had a concentration‐sensitive effect. In order to get the best antioxidative effect, optimization of the concentration to be used for each specific application is necessary.
Selectively Functionalized Constrained Polyazamacrocycles: Building Blocks for Multifunctional Chelating Agents
Authors: Désogère Pauline , Bernhard Claire , Goze Christine , Penouilh Marie‐José , Rousselin Yoann , Denat Franck 
Published: January 2013

AbstractA new class of cross‐bridged and side‐bridged 1,4,7,10‐tetraazacyclotridecanes (homocyclens) bearing an aminomethyl pendant arm on the carbon skeleton has been prepared. The regioselectivity of the quaternization of the bis‐aminal intermediates is discussed on the basis of X‐ray diffraction and NMR experiments. These new polyazamacrocycles are valuable precursors of bifunctional chelating agents for applications in nuclear medicine.
A probabilistic approach for the prediction of seismic resilience of bridges
Authors: Decò Alberto , Bocchini Paolo , Frangopol Dan M. 
Published: January 2013

ABSTRACTThis paper proposes a probabilistic approach for the pre‐event assessment of seismic resilience of bridges, including uncertainties associated with expected damage, restoration process, and rebuilding/rehabilitation costs. A fragility analysis performs the probabilistic evaluation of the level of damage (none, slight, moderate, extensive, and complete) induced on bridges by a seismic event. Then, a probabilistic six‐parameter sinusoidal‐based function describes the bridge functionality over time. Depending on the level of regional seismic hazard, the level of performance that decision makers plan to achieve, the allowable economic impact, and the available budget for post‐event rehabilitation activities, a wide spectrum of scenarios are provided. Possible restoration strategies accounting for the desired level of resilience and direct and indirect costs are investigated by performing a Monte Carlo simulation based on Latin hypercube sampling. Sensitivity analyses show how the recovery parameters affect the resilience assessment and seismic impact. Finally, the proposed approach is applied to an existing highway bridge located along a segment of I‐15, between the cities of Corona and Murrieta, in California. Copyright © 2013 John Wiley & Sons, Ltd.
Effects of sediment composition on cadmium bioaccumulation in the clam Meretrix meretrix Linnaeus
Authors: Wu Xing , Xie Lingtian , Xu Liying , Wang Shaofeng , Jia Yongfeng 
Published: January 2013

Abstract
Sediment particulates can be ingested by benthic animals, and the bioavailability of associated metals strongly depends on their speciation in the sediments. Different sedimentary components have distinct physiochemical characteristics and result in different biological responses from animals. Therefore, the bioaccumulation of particle-bound trace metals may be different. In the present study, bioaccumulation of cadmium adsorbed on various (hydr)oxide minerals, that is, ferric hydroxide, aluminum hydroxide, and manganese dioxide, in the clam Meretrix meretrix Linnaeus was studied. The results showed that the accumulation rate of cadmium varied for different mineral-adsorbed cadmium. The bioaccumulation of metal (hydr)oxide-adsorbed cadmium in M. meretrix followed the order Cd-MnO2 &gt; Cd-Al(OH)3 &gt; Cd-Fe(OH)3. The type of mineral determines both the assimilation efficiency and ingestion rate, and consequently controls the bioaccumulation of adsorbed cadmium. Environ. Toxicol. Chem. 2013;32:841–847. © 2013 SETAC
Impact assessment of dredging to remove coal fly ash at the Tennessee Valley Authority Kingston Fossil plant using fathead minnow elutriate exposures
Authors: Stanley Jacob K. , Kennedy Alan J. , Bednar Anthony J. , Chappell Mark A. , Seiter Jennifer M. , Averett Daniel E. , Steevens Jeffery A. 
Published: January 2013

Abstract
On December 22, 2008, failure of an earthen containment structure resulted in the release of approximately 4.1 million m3 of coal fly ash into the Emory River and the surrounding area from the Tennessee Valley Authority Kingston Fossil Plant near Kingston, Tennessee, USA. The purpose of the present study was to assess the potential of dredging activities performed to remove the fly ash from the river to result in increased risk to pelagic fish, with special consideration of mobilization of metals. Elutriates were created using two sources of fly ash by bubbling with air over 10 d. This elutriate preparation method was designed to represent worst-case conditions for oxidation, metal release, and dissolution. Larval and juvenile Pimephales promelas underwent 10-d exposures to these elutriates. Larval end points included survival and biomass, and juvenile end points included survival, length, biomass, liver somatic index, and bioaccumulation. No significant toxicity was observed. Bioaccumulation of metals in juveniles was found to be primarily attributable to metals associated with particles in the gut. Results suggest little potential for toxicity to related fish species due to fly ash removal dredging activities given the extreme conditions represented by the elutriates in the present study. Environ. Toxicol. Chem. 2013;32:822–830. © 2013 SETAC
Detoxification of corn stover hydrolysate using surfactant‐based aqueous two phase system
Authors: Dhamole Pradip B. , Wang Bin , Feng Hao 
Published: January 2013

AbstractBACKGROUNDPretreatment methods used to break down lignocellulose structure lead to the generation of compounds that inhibit ethanol fermentation. Hence, removal of these compounds is essential for improved fermentability. The surfactant‐based cloud point extraction (CPE) aqueous two phase system is a new method having the potential for separation and recovery of inhibitors. The present work examines the potential of surfactants‐based CPE systems as a detoxification method.RESULTSSurfactants L62D and L62LF achieved more than 90% removal of phenolic compounds and less than 20% removal of acetic acid and HMF from a model system when the surfactant concentration was 1% and 5%. With untreated simulated hydrolysate containing inhibitors the fermentation was inhibited completely. Detoxification of the same hydrolysate with L62D (1% and 5%) and L62LF (1% and 5%) showed complete fermentation with high ethanol productivity (0.61 g L‐1 h‐1). Similarly, the detoxified corn stover hydrolysate showed delayed fermentation. The productivity increased by 30% after detoxification with 1% of the two surfactants and by 100% with 5% of the surfactants (L62D and L62LF).CONCLUSIONThe new surfactant‐based detoxification method significantly improved the fermentability of simulated hydrolysate and corn stover hydrolysate. © 2013 Society of Chemical Industry
Hyperpolarized 129Xe MRI of the human lung
Authors: Mugler John P. , Altes Talissa A. 
Published: January 2013

AbstractBy permitting direct visualization of the airspaces of the lung, magnetic resonance imaging (MRI) using hyperpolarized gases provides unique strategies for evaluating pulmonary structure and function. Although the vast majority of research in humans has been performed using hyperpolarized 3He, recent contraction in the supply of 3He and consequent increases in price have turned attention to the alternative agent, hyperpolarized 129Xe. Compared to 3He, 129Xe yields reduced signal due to its smaller magnetic moment. Nonetheless, taking advantage of advances in gas‐polarization technology, recent studies in humans using techniques for measuring ventilation, diffusion, and partial pressure of oxygen have demonstrated results for hyperpolarized 129Xe comparable to those previously demonstrated using hyperpolarized 3He. In addition, xenon has the advantage of readily dissolving in lung tissue and blood following inhalation, which makes hyperpolarized 129Xe particularly attractive for exploring certain characteristics of lung function, such as gas exchange and uptake, which cannot be accessed using 3He. Preliminary results from methods for imaging 129Xe dissolved in the human lung suggest that these approaches will provide new opportunities for quantifying relationships among gas delivery, exchange, and transport, and thus show substantial potential to broaden our understanding of lung disease. Finally, recent changes in the commercial landscape of the hyperpolarized‐gas field now make it possible for this innovative technology to move beyond the research laboratory. J. Magn. Reson. Imaging 2013;37:313–331. © 2012 Wiley Periodicals, Inc.
Organic Carbon Dynamics in Different Soil Types After Conversion of Forest to Agriculture
Authors: Bruun T. B. , Elberling B. , de Neergaard A. , Magid J. 
Published: January 2013

AbstractState‐of‐the‐art predictive models of soil organic carbon (SOC) dynamics associated with land use changes are unable to reflect the diversity of tropical soil types as the knowledge of contrasting site‐specific factors in mediating the response of the SOC pool is sparse. This paper examines the influence of soil type and management on SOC dynamics following the conversion of forests to annual cropping in Ghana. Soil from primary forests and from areas with short (2–7 years) and long (20 years) histories of maize cultivation was sampled from a Vertisol dominated by smectite and Ultisol dominated by kaolinite. Wet sieving was used to separate soil fractions below and above 250 µm. SOC concentrations and δ13C signatures of SOC in soil fractions and bulk soil were determined. SOC stocks were calculated by the commonly used fixed depth approach and by the equivalent soil mass approach. After 20 years of cultivation of the Vertisol, the total SOC content was 40 per cent lower than under forest, and about 95 per cent of the forest‐derived SOC had been lost. After 20 years of cultivation of the Ultisol, total SOC content was only about 20 per cent lower than under forest and merely 30 per cent of the forest‐derived SOC had been lost. Both soil types were managed as they would typically be in small scale farming systems, thus the higher SOC losses and the substantial loss of forest‐derived SOC from the Vertisol question the conventional concept of smectite having a higher SOC‐stabilizing potential than kaolinite under field conditions. Copyright © 2013 John Wiley & Sons, Ltd.
Methods for assessing the fatigue strength for cyclic internal pressure loaded components by using new developed high‐strength ductile iron
Authors: Schönborn S. , Hanselka H. , Wagener R. , Kaufmann H. 
Published: January 2013

AbstractIn dem vorliegenden Beitrag werden Methoden, auf Basis des bezogenen Spannungsgradienten χ* und des hochbeanspruchten Werkstoffvolumens HBV90%, zur betriebsfesten Vorbemessung von Bauteilen aus hochfesten Sphärogusswerkstoffen vorgestellt. Aufbauend auf umfangreichen Schwingfestigkeitsuntersuchungen unter konstanten Amplituden mit aus dem Bauteil entnommenen Materialproben wurden für die Werkstoffe EN‐GJS‐500‐7, SiboDur 700‐10 und MADI die zugehörigen Werkstoffkennwerte experimentell bestimmt und Näherungslösungen für die Übertragung auf beliebige Bauteilgeometrien abgeleitet. Die Validierung der Treffsicherheit bei der Abschätzung der Schwingfestigkeiten von innendruckbelasteten Bauteilen erfolgte an einem praxisnahen Pulsdummy‐Modellkörper, der als versagenskritisches Detail eine Bohrungsverschneidung im Winkel von 45° aufweist.
Interspecific variations in the gastrointestinal microbiota in penguins
Authors: Dewar Meagan L. , Arnould John P. Y. , Dann Peter , Trathan Phil , Groscolas Rene , Smith Stuart 
Published: January 2013

AbstractDespite the enormous amount of data available on the importance of the gastrointestinal (GI) microbiota in vertebrate (especially mammals), information on the GI microbiota of seabirds remains incomplete. As with many seabirds, penguins have a unique digestive physiology that enables them to store large reserves of adipose tissue, protein, and lipids. This study used quantitative real‐time polymerase chain reaction (qPCR) and 16S rRNA gene pyrosequencing to characterize the interspecific variations of the GI microbiota of four penguin species: the king, gentoo, macaroni, and little penguin. The qPCR results indicated that there were significant differences in the abundance of the major phyla Firmicutes, Bacteroides, Actinobacteria, and Proteobacteria. A total of 132,340, 18,336, 6324, and 4826 near full‐length 16S rRNA gene sequences were amplified from fecal samples collected from king, gentoo, macaroni, and little penguins, respectively. A total of 13 phyla were identified with Firmicutes, Bacteroidetes, Proteobacteria, and Fusobacteria dominating the composition; however, there were major differences in the relative abundance of the phyla. In addition, this study documented the presence of known human pathogens, such as Campylobacter, Helicobacter, Prevotella, Veillonella, Erysipelotrichaceae, Neisseria, and Mycoplasma. However, their role in disease in penguins remains unknown. To our knowledge, this is the first study to provide an in‐depth investigation of the GI microbiota of penguins.
The Protohistoric ‘Quicklime Burials’ from the Balearic Islands: Cremation or Inhumation
Authors: Van Strydonck M. , Decq L. , den Brande T. Van , Boudin M. , Ramis D. , Borms H. , De Mulder G. 
Published: January 2013

AbstractTraditionally, the Balearic so‐called ‘quicklime burials’ of the Iron Age have been considered to be inhumations in quicklime. The general appearance of the bones, however, resembles more closely that of cremated bones. Laboratory tests reveal that the observed features of the bones from these burials, including cracks, thumbnail fractures and warping, cannot be explained by an inhumation in quicklime. The δ 13C value, Fourier transform infrared spectra, SF values and the low carbon content of the apatite moreover indicate a thermal manipulation of the bones. The 14C content is depleted with regard to the accepted archaeological age of the sample, which can best be explained by carbon exchange between bio‐apatite and fossil CO2 released during the heating of limestone. This implies that the Balearic ‘quicklime burials’ must be interpreted as an elaborate cremation practice in presence of limestone. Copyright © 2013 John Wiley & Sons, Ltd.
Examining the Role of Transformational Leadership in Emergency Management: The Case of FEMA
Authors: Karaca Hasan , Kapucu Naim , Van Wart Montgomery 
Published: January 2013

AbstractIt is generally accepted that all administrative agencies need a combination of transactional and transformational leaders; this is no different in emergency management agencies. However, until recently there has been relatively little study regarding the exact nature of transformational leadership in emergency management. Do standard concepts of transformational leadership apply? We used the case of the Federal Emergency Management Agency (FEMA) to explore this issue. Further, because of the time series data available when the agency studied was going through significant changes, we pose a further question: Do “shocks” to an agency significantly affect notions of transformational leadership? Structural equation modeling is conducted to examine and measure transformational leadership behaviors and explore how they relate to public employees' perceptions of leadership effectiveness as reported by the 2002, 2006, and 2008 Federal Human Capital Surveys (FHCS).