bluuebunny/crossref_metadata_2025_split huggingface dataset:
Simulation of long‐term soil water dynamics at Reynolds Creek, Idaho: implications for rangeland productivity
Authors: Finzel Julie A. , Seyfried Mark S. , Weltz Mark A. , Launchbaugh Karen L. 
Published: July 2015

AbstractPlant productivity, forage availability and soil carbon dynamics are all strongly controlled by soil water in semi‐arid rangelands. Sagebrush steppe ecosystems are among the most extensive in the western USA. We used the soil ecohydrology model (SEM) to simulate soil water dynamics and estimate plant growth at three different sagebrush steppe sites. SEM is a capacitance parameter model that uses a water balance approach to simulate daily changes in soil water and a modification of the de Wit equation to estimate plant yield. Model‐simulated soil water results were evaluated using long‐term (27–34 years) measured data. We found that SEM accurately simulated soil water dynamics and total soil water storage at all three sites, with R2 values greater than 0.8, Nash–Sutcliffe efficiencies near 0.8 and mean absolute errors of about 1.5 cm. Model‐estimated yield indices indicated a high degree of interannual variability, with values ranging more than fivefold and no long‐term trend in plant production due to water availability. We also found that seasonal yield could be estimated with reasonable accuracy at the outset of the growing season (March 1) for about half of the years simulated due to either relatively high or low pre‐growing season precipitation. Published 2015. This article is a U.S. Government work and is in the public domain in the USA. Ecohydrology published by John Wiley & Sons, Ltd.
Pt, Pd and Hg Complexes with Potentially Tridentate Telluroether Ligands
Authors: Kirsten Lars , Schwade Vania D. , Selter Lars , Hagenbach Adelheid , Piquini Paulo C. , Schulz Lang Ernesto , Abram Ulrich 
Published: July 2015

AbstractN‐[3‐(Phenyltellanyl)propyl]picolinamide (HL1) or N‐[N″,N″‐methyl(phenyl)aminothiocarbonyl]‐N′‐[3‐(phenyltellanyl)propyl]benzamidine (HL2) react with equivalent amounts of PtCl2 or PdCl2 with formation of neutral [MCl(L1‐κN,N′,Te)] or [MCl(L2‐κS,N,Te)] chelates. A corresponding reaction of HL2 with HgCl2 results in the formation of [HgCl2(HL2‐κS,Te)]. Treatment of [PtCl(L1‐N,N′,Te)] with elemental iodine results in the exclusive oxidation of the metal ion and the platinum(IV) complex [PtI3(L1‐κN,N′,Te)] could be isolated in reasonable amounts. A decomposition of the tellurium‐containing ligand and the formation of [PdI2(PhTeI)2] was observed during a similar procedure with the corresponding palladium complex. The bonding situation inside the latter compound was analyzed through density functional theory calculations.
Dinuclear Nitrato Coordination Compounds with Bis(3,5‐tert‐butylpyrazol‐1‐yl)­acetate
Authors: Kozlevčar Bojan , Jakomin Klemen , Počkaj Marta , Jagličić Zvonko , Beyer Andreas , Burzlaff Nicolai , Kitanovski Nives 
Published: July 2015

AbstractTwo dinuclear centrosymmetric coordination compounds with the bis(3,5‐di‐tert‐butylpyrazol‐1‐yl)acetic acid anion (L– = bdtbpza), namely, violet [Co(bdtbpza)(NO3)]2 (1) and turquoise [Cu(bdtbpza)(NO3)]2 (2), are reported. Around each metal(II) ion, the L– ligand is κ3‐N,N,O coordinated, and the M–O bonds are significantly longer than both M–N bonds. The coordination sphere is completed by short nitrato and M–O bonds to a ligand that is already κ3‐N,N,O coordinated to the adjacent intra‐dinuclear metal center. Therefore, each L– ligand has a total coordination number of four but with different carboxylate modes, namely, κ4‐N,N,O,O (1,1) in 1 and κ4‐N,N,O,O′ (1,3) in 2 for the C(1)–O–C(2) group. Thus, the coordination spheres are MO2N2O in both cases, though 1 is distorted trigonal bipyramidal, whereas 2 is square pyramidal. Antiferromagnetic (AFM) coupling (17 cm–1) is seen only in 1, though the best fit was obtained with consideration of spin–orbit coupling along with zero‐field splitting owing to exchange anisotropy. The new dinuclear nitrato species might be alternatives to previously reported mimics of enzyme active sites.
Silylated Group 14 Ylenes: An Emerging Class of Reactive Compounds
Authors: Marschner Christoph 
Published: July 2015

AbstractSilyl‐substituted heavy‐element tetrylenes are very reactive entities and therefore prefer variously to dimerize to heavy olefin analogues, to oligomerize to cyclic products, or to undergo some type of rearrangement reaction. Our work on the synthesis of oligosilanyl‐substituted plumbylenes, stannylenes, and germylenes has shown that trapping such tetrylenes as phosphine adducts is a good method for preventing dimerization or rearrangement and allows the chemistry of the free tetrylene to be studied either through phosphane abstraction or even through thermally induced dissociation. In addition to a number of typical reactions with these tetrylenes, which occur in such a way that the divalent element becomes tetravalent, it was found in the case of germylenes that addition of monosubstituted alkynes proceeds by insertion into a Ge–Si bond with preservation of the divalent state of the germylene. The obtained tetrylene phosphane adducts could also be used as precursors for the generation of transition‐metal complexes with tetrylene ligands.
4′‐Selenonucleosides as Next‐Generation Nucleosides
Authors: Sahu Pramod K. , Naik Siddhi D. , Yu Jinha , Jeong Lak Shin 
Published: July 2015

AbstractModified nucleosides continue to hold their position as one of the most fruitful classes of therapeutic agents in drug discovery. One fairly recent modification involves bioisosteric introduction of selenium at the 4′‐position of the sugar ring, with the aim of overcoming the drawbacks of previous‐generation 4′‐oxo‐, 4′‐carba‐, and 4′‐thionucleosides. This review highlights the development of new 4′‐selenonucleosides, summarizing various synthetic strategies involved in several prime modifications on the 4‐selenosugar moiety.
Synthesis of 2,1‐Borazaroquinolines and 2,1‐Borazaroisoquinolines from Vinyl­aminopyridines and Potassium Organotrifluoroborates by Microwave‐Assisted Heating
Authors: Sánchez Casado M. Rosa , Ciordia Jiménez Myriam , Ariza Bueno Manuela , Barriol Morgane , Leenaerts Joseph E. , Pagliuca Chiara , Martínez Lamenca Carolina , De Lucas Ana Isabel , García Aránzazu , Trabanco Andrés A. , Rombouts Frederik J. R. 
Published: July 2015

AbstractAzaborines are an emerging class of compounds with applications in medicinal chemistry and materials science. The synthesis of a wide variety of borazaronaphthalenes has been reported in the last decade. However, access to other borazaro derivatives has been limited. A new approach to synthesize 2,1‐borazaroquinolines and 2,1‐borazaroisoquinolines from (vinylamino)pyridines and potassium organotrifluoroborates using microwave‐assisted heating is reported. A substituted diverse set of new azaborines has been synthesized by this method, providing the first access to a family of 2,1‐borazaroquinolines and 2,1‐borazaroisoquinolines.
Experimental and Theoretical Studies of 4‐(1‐benzyl‐5‐methyl‐1H‐1,2,3‐triazol‐4‐yl)‐6‐(2,4‐dichlorophenyl)pyrimidin‐2‐amine: A Potential Antibacterial Agent
Authors: Murugavel S. , Madhanraj R. , Prasanna Kumar D. K. Andrew , Nagarajan Sangaraiah , Ponnuswamy Alagusundaram 
Published: July 2015

AbstractThe title compound (1), 4‐(1‐benzyl‐5‐methyl‐1H‐1,2,3‐triazol‐4‐yl)‐6‐(2,4‐dichlorophenyl)pyrimidin‐2‐amine (C20H16Cl2N6), was synthesized and structurally characterized by elemental analysis, 1H NMR and 13C NMR and single crystal X‐ray diffraction. The compound crystallizes as a colourless needle shaped in the triclinic system, space group P‐1 with cell constants: a = 10.7557(11) Å, b = 12.7078(17) Å, c = 15.511(2) Å, α = 68.029(4)0, β = 86.637(5)0, γ = 87.869(4)0; V = 1962.4 (4) Å3, Z = 4. There are two structurally similar but crystallographically independent molecules (A and B) in the asymmetric unit of the title compound, which is linked via N‐H…Cl hydrogen bond. An intramolecular C‐H…N hydrogen also occurs in each molecule. In the crystal, each of independent molecules forms a centrosymmetric dimer with an R22(8) ring motifs through a pair of N‐H…N hydrogen bonds. These dimers are further connected by intermolecular N‐H…Cl and C‐H…Cl hydrogen bonds, forming an infinite two dimensional supramolecular network lying parallel to the [010] plane. The molecular geometry was also optimized using density functional theory (DFT/B3LYP) method with the 6‐311G (d, p) basis set and compared with the experimental data. Mulliken population analyses on atomic charges, HOMO‐LUMO energy levels, Molecular electrostatic potential and chemical reactivity of the title compound were investigated by theoretical calculations. The thermo dynamical properties of the title compound at different temperature have been calculated and corresponding relations between the properties and temperature have also been obtained. The in vitro antibacterial activity has been screened against Gram‐positive (Bacillus cerus and Staphylococcus epidermidis) and Gram‐Negative (Escherichia coli, Acinetobacter baumannii and Proteus vulgaris). The results revealed that the compound exhibited good to moderate antibacterial activity.
Magnetically‐recoverable Schiff Base Complex of Pd (II) Immobilized on Fe3O4@SiO2 Nanoparticles: An Efficient Catalyst for Mizoroki‐Heck and Suzuki‐Miyaura Coupling Reactions
Authors: Esmaeilpour Mohsen , Javidi Jaber 
Published: July 2015

AbstractThe activity of Pd(II)‐Schiff base complex molecules grafted on the surface of Fe3O4@SiO2 particles were investigated in the palladium‐catalyzed coupling reactions of aryl halides with alkenes (Mizoroki‐Heck reaction) and phenylboronic acids (Suzuki‐Miyaura reaction) in the absence of phosphorous ligands. This method shows notable advantages such as heterogeneous nature of the catalyst, excellent yields, short reaction times, easy preparation, simplicity of operation, and cleaner reaction profiles. The catalyst can be separated from the reaction mixture by applying a permanent magnet externally and can be reused for several times without significant loss of activity. Also, the amount of palladium leaching has been determined by ICP analysis.
Influence of Support Type and Metal Loading in Methane Decomposition over Iron Catalyst for Hydrogen Production
Authors: Ibrahim Ahmed A. , Al‐Fatesh Ahmed S. , Khan Wasim U. , Soliman Mostafa A. , AL Otaibi Raja L. , Fakeeha Anis H. 
Published: July 2015

AbstractNatural gas resources, stimulate the method of catalytic methane decomposition. Hydrogen is a superb energy carrier and integral component of the present energy systems, while carbon nanotubes exhibit remarkable chemical and physical properties. The reaction was run at 700 °C in a fixed bed reactor. Catalyst calcination and reduction were done at 500 °C. MgO, TiO2 and Al2O3 supported catalysts were prepared using a co‐precipitation method. Catalysts of different iron loadings were characterized with BET, TGA, XRD, H2‐TPR and TEM. The catalyst characterization revealed the formation of multi‐walled nanotubes. Alternatively, time on stream tests of supported catalyst at 700 °C revealed the relative profiles of methane conversions increased as the %Fe loading was increased. Higher %Fe loadings decreased surface area of the catalyst. Iron catalyst supported with Al2O3 exhibited somewhat higher catalytic activity compared with MgO and TiO2 supported catalysts when above 35% Fe loading was used. CH4 conversion of 69% was obtained utilizing 60% Fe/Al2O3 catalyst. Alternatively, Fe/MgO catalysts gave the highest initial conversions when iron loading below 30% was employed. Indeed, catalysts with 15% Fe/MgO gave 63% conversion and good stability for 1 h time on stream. Inappropriateness of Fe/TiO2 catalysts in the catalytic methane decomposition was observed.
Synthesis of stable isotope‐labeled epothilone D using a degradation–reconstruction approach
Authors: Burrell Richard C. , Turley Wesley A. , Bonacorsi Samuel J. 
Published: July 2015

The stabilization of microtubules using epothilones represents a novel mechanism of action to treat Alzheimer's disease. Epothilone D is one such microtubule‐stabilizing drug that has been investigated by Bristol‐Myers Squibb. An important step in the development process was the synthesis of a stable isotope‐labeled analog for use in bioanalytical assays to accurately quantify the concentration of the drug in biological samples.A novel synthetic route to stable isotope‐labeled epothilone D is described. The synthetic route was based on a strategy to degrade epothilone B and then use that key intermediate to reconstruct stable isotope‐labeled epothilone D. Epothilone B was treated with potassium osmate and sodium periodate. The thiazole moiety in epothilone B was efficiently cleaved to give (1S,3S,7S,10R,11S,12S,16R)‐3‐acetyl‐7,11‐dihydroxy‐8,8,10,12,16‐pentamethyl‐4,17‐dioxabicyclo[14.1.0]heptadecane‐5,9‐dione. The epoxide in the macrocyclic ring of that intermediate was cleanly removed by treatment with tungsten hexachloride and n‐butyllithium to give the corresponding olefin (4S,7R,8S,9S,16S,Z)‐16‐acetyl‐4,8‐dihydroxy‐5,5,7,9,13‐pentamethyloxacyclohexadec‐13‐ene‐2,6‐dione. Bis(triethylsilyl) protection produced (4S,7R,8S,9S,16S,Z)‐16‐acetyl‐5,5,7,9,13‐pentamethyl‐4,8‐bis(triethylsilyloxy)‐oxacyclohexadec‐13‐ene‐2,6‐dione. This intermediate was coupled to a stable isotope‐labeled thiazole using a Wittig reaction as the key step to provide 13C5, 15N‐labeled epothilone D. In summary, the synthesis was completed in nine total steps, only six of which involved isotopically labeled reagents. A total of 168 mg of 13C5, 15N‐labeled epothilone D was prepared in an 8% overall yield from 13C2, 15N‐labeled thioacetamide and 13C3‐labeled ethyl bromopyruvate.
Who takes the lead? A multi‐source diary study on leadership, work engagement, and job performance
Authors: Breevaart Kimberley , Bakker Arnold B. , Demerouti Evangelia , Derks Daantje 
Published: July 2015

SummaryTransformational leadership is associated with a range of positive outcomes. Yet, according to substitutes for leadership theory, there may be circumstances under which it is difficult, if not impossible, for leaders to inspire and challenge their employees. Therefore, we hypothesize that transformational leadership behaviors as well as employee self‐leadership strategies contribute to employee work engagement and job performance. Furthermore, we hypothesize that transformational leadership behaviors are more effective when employees have a high need for leadership, whereas self‐leadership strategies are more effective when employees have a low need for leadership. A sample of 57 unique leader–employee dyads filled out a quantitative diary survey at the end of each week, for a period of five weeks. The results of multilevel structural equation modeling showed that employees were more engaged in their work and received higher performance ratings from their leader when leaders used more transformational leadership behaviors, and when employees used more self‐leadership strategies. Furthermore, we showed that transformational leadership behaviors were more effective when employees had a high (vs. low) need for leadership and that the opposite was true for employee self‐leadership. These findings contribute to our understanding of the role of employees in the transformational leadership process. Copyright © 2015 John Wiley & Sons, Ltd.
126 novel mutations in Italian patients with neurofibromatosis type 1
Authors: Bianchessi Donatella , Morosini Sara , Saletti Veronica , Ibba Maria Cristina , Natacci Federica , Esposito Silvia , Cesaretti Claudia , Riva Daria , Finocchiaro Gaetano , Eoli Marica 
Published: July 2015

AbstractGenetic analysis of Neurofibromatosis type 1 (NF1) may facilitate the identification of patients in early phases of the disease. Here, we present an overview of our diagnostic research spanning the last 11 years, with a focus on the description of 225 NF1 mutations, 126 of which are novel, found in a series of 607 patients (513 unrelated) in Italy. Between 2003 and 2013, 443 unrelated patients were profiled by denaturing high pressure liquid chromatography (DHPLC) analysis of 60 amplicons derived from genomic NF1 DNA and subsequent sequencing of heterozygotic PCR products. In addition, a subset of patients was studied by multiplex ligation‐dependent probe amplification (MLPA) to identify any duplications, large deletions or microdeletions present at the locus. Over the last year, 70 unrelated patients were investigated by MLPA and sequencing of 22 amplicons spanning the entire NF1 cDNA. Mutations were found in 70% of the 293 patients studied by DHPLC, thereby fulfilling the NIH criterion for the clinical diagnosis of NF1 (detection rate: 70%); furthermore, 87% of the patients studied by RNA sequencing were genetically characterized. Mutations were also found in 36 of the 159 patients not fulfilling the NIH clinical criteria. We confirmed a higher incidence of intellectual disability in patients harboring microdeletion type 1 and observed a correlation between a mild phenotype and the small deletion c.2970_2972delAAT or the missense alteration in amino acid residue 1809 (p.Arg1809Cys). These data support the use of RNA‐based methods for genetic analysis and provide novel information for improving the management of symptoms in oligosymptomatic patients.
Association of Maternal and Infant Salivary Testosterone and Cortisol and Infant Gender With Mother–Infant Interaction in Very‐Low‐Birthweight Infants
Authors: Cho June , Su Xiaogang , Phillips Vivien , Holditch‐Davis Diane 
Published: July 2015

AbstractMale very‐low‐birthweight (VLBW) infants are more prone than females to health and developmental problems and less positive mother–infant interactions. Because gender differences in brain development and social relationships suggest hormonal influences on quality of mother–infant interaction, the authors explored the associations of maternal and infant salivary testosterone and cortisol levels with mother–infant interactions in the sample as a whole and by gender, after controlling for covariates. Data were collected prospectively from 62 mothers and their VLBW infants through infant record review, maternal interview, biochemical measurement of both mothers and infants, and observation of mother–infant interactions at 40 weeks postmenstrual age and at three and six months corrected age. Infants’ positive interactions increased and mothers’ decreased from three to six months. In generalized estimating equation (GEE) analyses, after controlling for covariates, higher maternal testosterone and infant cortisol were associated with more positive and more frequent maternal interactive behaviors. In GEE analyses by infant gender, after controlling for covariates, effects of maternal and infant hormone levels became more significant, especially on infants’ interactive behaviors. Based on these preliminary findings, among VLBW infants, males with high testosterone are expected to have less positive mother–infant interactions than males with low testosterone or female infants. © 2015 Wiley Periodicals, Inc.
Improved bounds for the randomized decision tree Complexity of recursive majority
Authors: Magniez Frédéric , Nayak Ashwin , Santha Miklos , Sherman Jonah , Tardos Gábor , Xiao David 
Published: July 2015

AbstractWe consider the randomized decision tree complexity of the recursive 3‐majority function. We prove a lower bound offor the two‐sided‐error randomized decision tree complexity of evaluating heighthformulae with error. This improves the lower bound ofgiven by Jayram, Kumar, and Sivakumar (STOC'03), and the one ofgiven by Leonardos (ICALP'13). Second, we improve the upper bound by giving a new zero‐error randomized decision tree algorithm that has complexity at most. The previous best known algorithm achieved complexity. The new lower bound follows from a better analysis of the base case of the recursion of Jayramet al. The new algorithm uses a novel “interleaving” of two recursive algorithms. © 2015 Wiley Periodicals, Inc. Random Struct. Alg., 48, 612–638, 2016
Finding semantic associations in hierarchically structured groups of Web data
Authors: Rosaci Domenico 
Published: July 2015

Abstract
Most of the activities usually performed by Web users are today effectively supported by using appropriate metadata that make the Web practically readable by software agents operating as users’ assistants. While the original use of metadata mostly focused on improving queries on Web knowledge bases, as in the case of SPARQL-based applications on RDF data, other approaches have been proposed to exploit the semantic information contained in metadata for performing more sophisticated knowledge discovery tasks. Finding semantic associations between Web data seems a promising framework in this context, since it allows that novel, potentially interesting information can emerge by the Web’s sea, deeply exploiting the semantic relationships represented by metadata. However, the approaches for finding semantic associations proposed in the past do not seem to consider how Web entities are logically collected into groups, that often have a complex hierarchical structure. In this paper, we focus on the importance of taking into account this additional information, and we propose an approach for finding semantic associations which would not emerge without considering the structure of the data groups. Our approach is based on the introduction of a new metadata model, that is an extension of the direct, labelled graph allowing the possibility to have nodes with a hierarchical structure. To evaluate our approach, we have implemented it on the top of an existing recommender system for Web users, experimentally analyzing the introduced advantages in terms of effectiveness of the recommendation activity.
Short‐Term Performance Improvement of a Continuing Medical Education Program in a Low‐Income Country
Authors: Fils Jacky , Bhashyam Abhiram R. , Pierre Pierre Jacques B. , Meara John G. , Dyer George S.M. 
Published: July 2015

AbstractBackground
The Haitian Annual Assembly for Orthopaedic Trauma (HAAOT) is a CME conference designed to help Haitian orthopaedic surgeons improve their knowledge and skills. The effectiveness of international CME conferences has not been studied. We hypothesized that HAAOT improves participants’ short‐term performance on knowledge‐based assessments.MethodsData were prospectively collected from 57 Haitian and 21 foreign orthopaedic surgeons and residents who attended HAAOT using pre‐ and post‐presentation questions. An audience response system was used to capture responses to 40 questions. Five additional demographic questions were used to train participants and to record unique audience member responses. Questions were projected in English and in French. Two‐sided paired t tests were used to compare pre‐ and post‐test scores. ANOVA with post‐hoc unpaired t tests was used to compare among demographic groups.ResultsResponse rate Median response rate was 77.4 % per day (Range: 76.5–85.9 % per day). Pre‐test scores Pre‐test scores averaged 21 % for Haitians and 39 % for foreigners (p < 0.0001), and were similar among Haitian attendings and residents. Pre‐post differences Scores improved by 8 % for Haitians (p < 0.0001) and 10 % for foreigners (p < 0.01) after didactic presentations. Among sub‐groups, Haitian attendings improved on average by 18 % compared to 6 % for residents (p < 0.0001). Haitian attending improvement trended toward significance when compared to foreign attendings (p < 0.08).ConclusionsOur study is the first to show improved short‐term knowledge performance using an audience response system during a CME conference in a low‐income country. CME conferences in low‐income countries can be an effective tool to increase surgeon knowledge, and audience response systems can help engage participants and track outcomes.