bluuebunny/crossref_metadata_2025_split huggingface dataset:
The generalized bone phenotype in children with neurofibromatosis 1: A sibling matched case–control study
Authors: Armstrong Linlea , Jett Kimberly , Birch Patricia , Kendler David L. , McKay Heather , Tsang Erica , Stevenson David A. , Hanley David A. , Egeli Deetria , Burrows Melonie , Friedman J.M. 
Published: May 2013

AbstractPeople with neurofibromatosis 1 (NF1) have low bone mineralization, but the natural history and pathogenesis are poorly understood. We performed a sibling‐matched case–control study of bone mineral status, morphology, and metabolism. Eighteen children with NF1 without focal bony lesions were compared to unaffected siblings and local population controls. Bone mineral content at the lumbar spine and proximal femur (dual energy X‐ray absorptiometry (DXA)) was lower in children with NF1; this difference persisted after adjusting for height and weight. Peripheral quantitative computed tomography (pQCT) of the distal tibia showed that trabecular density was more severely compromised than cortical. Peripheral QCT‐derived estimates of bone strength and resistance to bending and stress were poorer among children with NF1 although there was no difference in fracture frequencies. There were no differences in the size or shape of bones after adjusting for height. Differences in markers of bone turnover between cases and controls were in the directions predicted by animal studies, but did not reach statistical significance. Average serum calcium concentration was higher (although within the normal range) in children with NF1; serum 25‐OH vitamin D, and PTH levels did not differ significantly between cases and controls. Children with NF1 were less mature (assessed by pubertal stage) than unaffected siblings or population controls. Children with NF1 have a generalized difference of bone metabolism that predominantly affects trabecular bone. Effects of decreased neurofibromin on bone turnover, calcium homeostasis, and pubertal development may contribute to the differences in bone mineral content observed among people with NF1. © 2013 Wiley Periodicals, Inc.
Is summer monsoon rainfall over the west coast of India decreasing?
Authors: Prakash Satya , Sathiyamoorthy V. , Mahesh C. , Gairola R. M. 
Published: May 2013

AbstractIn this study, long‐term changes in the summer monsoon rainfall over the west coast of India and adjoining eastern Arabian Sea (WCA) have been examined independently using rain gauge adjusted multisatellite rainfall data available since 1979. Present analysis using the satellite‐based rainfall data agrees with the long‐term rainfall decrease reported in the earlier studies. However, close examination of the data reveals that the rainfall in the recent years (since 2002) has started increasing over the WCA. Hence, it is stressed that a detailed analysis using the satellite‐derived rainfall data of longer period is required to arrive at a firm conclusion.
Determination of salbutamol by direct chiral reversed‐phase HPLC using teicoplanin as stationary phase and its application to natural water analysis
Authors: Rosales‐Conrado Noelia , Dell'Aica Margherita , de León‐González María Eugenia , Pérez‐Arribas Luis Vicente , Polo‐Díez Luis María 
Published: May 2013

ABSTRACTA direct chiral LC‐UV method was optimized for the determination of salbutamol (SAL) β2‐agonist in environmental water. Two commercially available columns were evaluated: teicoplanin Chirobiotic‐T™ (150 × 2.1 mm i.d., 5 µm) and vancomycin Chirobiotic‐V™ (150 × 2.1 mm i.d., 5 µm). Finally, teicoplanin chiral stationary phase was selected for SAL enantiomer resolution. In order to preserve its integrity and maintain the column performance for longer time, the use of additives such as triethylamine (TEA) in the mobile phase was avoided. Experimental design was applied to simultaneously evaluate the influence of several parameters involved in enantiomer separation and to establish the conditions for acceptable resolution and performance in short analysis time. Optimum mobile phase was methanol–20 mM ammonium acetate buffer at pH 4.5 (98:2, v/v). A solid‐phase extraction procedure for sample pre‐concentration and clean‐up allowed the determination of chiral SAL residues in natural water samples spiked at low concentrations in the range 1.0–20 ng mL−1. Reproducible recoveries, between 77 and 98%, were obtained and matrix effect was negligible. Injection of sample solutions at low elution strength permitted the SAL enantioresolution in the natural water complex matrix with satisfactory sensitivity and precision. Copyright © 2013 John Wiley & Sons, Ltd.
Probing Substrate Promiscuity of Amylosucrase from Neisseria polysaccharea
Authors: Daudé David , Champion Elise , Morel Sandrine , Guieysse David , Remaud‐Siméon Magali , André Isabelle 
Published: May 2013

AbstractThe amylosucrase from Neisseria polysaccharea (NpAS) naturally catalyzes the synthesis of a variety of products from sucrose and shows signs of plasticity of its active site. To explore further this promiscuity, the tolerance of amylosucrase towards different donor and acceptor substrates was investigated. The selection of alternate donor substrates was first made on the basis of preliminary molecular modeling studies. From 11 potential donors harboring selective derivatizations that were experimentally evaluated, only p‐nitrophenyl‐α‐D‐glucopyranoside was used by the wild‐type enzyme, and this underlines the high specificity of the −1 subsite of NpAS for glucosyl donor substrates. The acceptor substrate promiscuity was further explored by screening 20 hydroxylated molecules, including D‐ and L‐monosaccharides as well as polyols. With the exception of one compound, all were successfully glucosylated, and this showcases the tremendous plasticity of the +1 subsite of NpAS, which is responsible for acceptor recognition. The products obtained from the transglucosylation reactions of three selected acceptors were characterized, and they revealed original structures and enzyme enantiopreference, which were more particularly analyzed by in silico docking analyses.
Explicit Roles of Au and TiO2 in a Bifunctional Au/TiO2 Catalyst for the Water‐Gas Shift Reaction: A DFT Study
Authors: Hussain Akhtar , Gracia Jose , Nieuwenhuys Ben E. , Niemantsverdriet J. W. (Hans) 
Published: May 2013

AbstractThe water–gas shift reaction has been investigated by using DFT applied to Au(1 0 0), stepped Au(3 1 0), and TiO2 anatase (0 0 1) surfaces. The results show that neither Au nor TiO2 can catalyze the reaction by themselves. Of CO, CO2, H2O, and H2, only CO adsorbs with moderate adsorption energy at low‐coordinated sites, whereas other molecules interact only weakly with Au. The activation of H2O is impossible on Au surfaces. However, H2O adsorbs dissociatively on the anatase (0 0 1) surface and the diffusion of OH and H is feasible. The energetic data indicate that the rest of the process is possible on the Au surface. Two mechanisms were investigated and compared for the water–gas shift reaction, with H2O dissociation on the TiO2 surface and diffusion of OH and H on Au surfaces in common. The latter is, in principle, the rate‐limiting step. The first mechanism occurs through the disproportionation of two OH groups on Au into H2O and an O atom. The latter reacts with CO. In the alternative mechanism, CO combines with OH to give a COOH intermediate, which subsequently reacts with another OH group to form CO2 and H2O. Finally, H atoms recombine on the Au surface to complete the catalytic cycle.
Calcium‐Based Lewis Acid Catalysts
Authors: Begouin Jeanne‐Marie , Niggemann Meike 
Published: May 2013

AbstractRecently, Lewis acidic calcium salts bearing weakly coordinating anions such as Ca(NTf2)2, Ca(OTf)2, CaF2 and Ca[OCH(CF3)2]2 have been discovered as catalysts for the transformation of alcohols, olefins and carbonyl compounds. High stability towards air and moisture, selectivity and high reactivity under mild reaction conditions render these catalysts a sustainable and mild alternative to transition metals, rare‐earth metals or strong Brønsted acids.
Aptamer‐Based Turn‐On Detection of Thrombin in Biological Fluids Based on Efficient Phosphorescence Energy Transfer from Mn‐Doped ZnS Quantum Dots to Carbon Nanodots
Authors: Zhang Lu , Cui Peng , Zhang Baocheng , Gao Feng 
Published: May 2013

AbstractThis paper presents the first example of a sensitive, selective, and stable phosphorescent sensor based on phosphorescence energy transfer (PET) for thrombin that functions through thrombin–aptamer recognition events. In this work, an efficient PET donor–acceptor pair using Mn‐doped ZnS quantum dots labeled with thrombin‐binding aptamers (TBA QDs) as donors, and carbon nanodots (CNDs) as acceptors has been constructed. Due to the π–π stacking interaction between aptamer and CNDs, the energy donor and acceptor are taken into close proximity, leading to the phosphorescence quenching of donors, TBA QDs. A maximum phosphorescence quenching efficiency as high as 95.9 % is acquired. With the introduction of thrombin to the “off state” of the TBA‐QDs‐CNDs system, the phosphorescence is “turned on” due to the formation of quadruplex‐thrombin complexes, which releases the energy acceptor CNDs from the energy donors. Based on the restored phosphorescence, an aptamer‐based turn‐on thrombin biosensor has been demonstrated by using the phosphorescence as a signal transduction method. The sensor displays a linear range of 0–40 nM for thrombin, with a detection limit as low as 0.013 nM in pure buffers. The proposed aptasensor has also been used to monitor thrombin in complex biological fluids, including serum and plasma, with satisfactory recovery ranging from 96.8 to 104.3 %. This is the first time that Mn‐doped ZnS quantum dots and CNDs have been employed as a donor–acceptor pair to construct PET‐based biosensors, which combines both the photophysical merits of phosphorescence QDs and the superquenching ability of CNDs and thus affords excellent analytical performance. We believe this proposed method could pave the way to a new design of biosensors using PET systems.
A finite element‐based constrained mixture implementation for arterial growth, remodeling, and adaptation: Theory and numerical verification
Authors: Valentín A. , Humphrey J.D. , Holzapfel G.A. 
Published: May 2013

SUMMARYWe implemented a constrained mixture model of arterial growth and remodeling in a nonlinear finite element framework to facilitate numerical analyses of diverse cases of arterial adaptation and maladaptation, including disease progression, resulting in complex evolving geometries and compositions. This model enables hypothesis testing by predicting consequences of postulated characteristics of cell and matrix turnover, including evolving quantities and orientations of fibrillar constituents and nonhomogenous degradation of elastin or loss of smooth muscle function. The nonlinear finite element formulation is general within the context of arterial mechanics, but we restricted our present numerical verification to cylindrical geometries to allow comparisons with prior results for two special cases: uniform transmural changes in mass and differential growth and remodeling within a two‐layered cylindrical model of the human aorta. The present finite element model recovers the results of these simplified semi‐inverse analyses with good agreement. Copyright © 2013 John Wiley & Sons, Ltd.
MapReduce delay scheduling with deadline constraint
Authors: Li Hongliang , Wei Xiaohui , Fu Qingwu , Luo Yuan 
Published: May 2013

SUMMARYMapReduce programming paradigm has been widely applied to solve large‐scale data‐intensive problems. Intensive studies of MapReduce scheduling have been carried out to improve MapReduce system performance. Delay scheduling is a common way to achieve high data locality and system performance. However, inappropriate delays can lead to low system throughput and potentially break the original job priority constraints. This paper proposes a deadline‐enabled delay (DLD) scheduling algorithm that optimizes job delay decisions according to real‐time resource availability and resource competition, while still meets job deadline constraints. Experimental results illustrate that the resource availability estimation method of DLD is accurate (92%). Compared with other approaches, DLD reduces job turnaround time by 22% in average while keeping a high locality rate (88%).Copyright © 2013 John Wiley & Sons, Ltd.
Tailoring Copper Oxide Semiconductor Nanorod Arrays for Photoelectrochemical Reduction of Carbon Dioxide to Methanol
Authors: Rajeshwar Krishnan , de Tacconi Norma R. , Ghadimkhani Ghazaleh , Chanmanee Wilaiwan , Janáky Csaba 
Published: May 2013

AbstractSolar photoelectrochemical reduction of carbon dioxide to methanol in aqueous media was driven on hybrid CuO/Cu2O semiconductor nanorod arrays for the first time. A two‐step synthesis was designed and demonstrated for the preparation of these hybrid copper oxide one‐dimensional nanostructures on copper substrates. The first step consisted in the growth of CuO nanorods by thermal oxidation of a copper foil at 400 °C. In the second step, controlled electrodeposition of p‐type Cu2O crystallites on the CuO walls was performed. The resulting nanorod morphology with controllable wall thickness by adjusting the Cu2O electrodeposition time as well as their surface/bulk chemical composition were probed by scanning electron microscopy, X‐ray diffraction and Raman spectroscopy. Photoelectrosynthesis of methanol from carbon dioxide was demonstrated at −0.2 V vs SHE under simulated AM1.5 solar irradiation on optimized hybrid CuO/Cu2O nanorod electrodes and without assistance of any homogeneous catalyst (such as pyridine or imidazole) in the electrolyte. The hybrid composition, ensuring double pathway for photoelectron injection to CO2, along with high surface area were found to be crucial for efficient performance in methanol generation under solar illumination. Methanol formation, tracked by gas chromatography/mass spectrometry, indicated Faradaic efficiencies of ∼95 %.
Mono‐ and Trinuclear Tripodal Platinum(II) Chelated Complexes Containing a Pyridine/Sulfoxide Based Anchoring Framework
Authors: Barattucci Anna , Plutino M. Rosaria , Faggi Cristina , Bonaccorsi Paola , Monsù Scolaro Luigi , Aversa Maria Chiara 
Published: May 2013

AbstractNew tripodal ligands 2,4,6‐triethyl‐1,3,5‐tris{[1‐(2‐pyridinyl)ethenyl]sulfinylmethyl}benzenes 6, characterized by three pendant chains each containing both sulfoxide and pyridine moieties, were synthesized from the corresponding sulfenic acid and 2‐ethynylpyridine. Two diastereomeric mixtures were obtained and separated, one racemic mixture 6a, having a C3 symmetry axis and the other 6b with no symmetry. With the aim of studying the coordination ability of these chelating‐κN,κS type ligands, monobranched racemic [1‐(2‐pyridinyl)ethenyl]sulfinylbenzene 9 was also synthesized. Upon addition of an equivalent amount of the monochelating ligand 9 or the tripodal species 6a to a CD3CN solution of a platinum(II) complex of the type cis‐[PtMe2(Me2SO)2] (Pt1) or trans‐[PtMeCl(Me2SO)2] (Pt2), platinum(II) coordination and chelation occurred, as definitively indicated by a sharp change in the 1H NMR spectrum towards the final corresponding chelated platinum(II) species and free dimethyl sulfoxide. The prepared platinum(II) species contain one or three fragments of the type {PtMe2}(10 or 12) and {PtMeCl}(11 or 13) bound to the pyridinyl/sulfinyl skeleton in the coordinating ligands 9 and 6a. All the prepared species were fully characterized by NMR spectroscopy from the connectivities in 2D‐COSY, 1H‐13C HSQC and phase‐sensitive 2D‐NOESY spectra which confirm the molecular mechanics calculation predictions.
The Reactivity of Arylphosphorus Acid Amides Under Birch Reduction Conditions
Authors: Stankevič Marek , Włodarczyk Adam , Nieckarz Damian 
Published: May 2013

AbstractSeveral classes of arylphosphorus acid amides have been tested in reactions with alkali metal solutions in liquid ammonia. The outcomes of such reactions depend on the structures of the starting materials. Generally, two processes – Birch reduction or cleavage of the P–aryl bond – can be operative. Diarylphosphinic amides tend to undergo double Birch reduction to afford bis(cyclohexadienyl)phosphinic amides.
The Multidimensional Optimal Order Detection method in the three‐dimensional case: very high‐order finite volume method for hyperbolic systems
Authors: Diot S. , Loubère R. , Clain S. 
Published: May 2013

SUMMARYThe Multidimensional Optimal Order Detection (MOOD) method for two‐dimensional geometries has been introduced by the authors in two recent papers. We present here the extension to 3D mixed meshes composed of tetrahedra, hexahedra, pyramids, and prisms. In addition, we simplify the u2 detection process previously developed and show on a relevant set of numerical tests for both the convection equation and the Euler system that the optimal high order of accuracy is reached on smooth solutions, whereas spurious oscillations near singularities are prevented. At last, the intrinsic positivity‐preserving property of the MOOD method is confirmed in 3D, and we provide simple optimizations to reduce the computational cost such that the MOOD method is very competitive compared with existing high‐order Finite Volume methods.Copyright © 2013 John Wiley & Sons, Ltd.
Probabilistic analysis of risks to us drinking water intakes from 1,4-dioxane in domestic wastewater treatment plant effluents
Authors: Simonich Staci Massey , Sun Ping , Casteel Ken , Dyer Scott , Wernery Dave , Garber Kevin , Carr Gregory , Federle Thomas 
Published: May 2013

Abstract
The risks of 1,4-dioxane (dioxane) concentrations in wastewater treatment plant (WWTP) effluents, receiving primarily domestic wastewater, to downstream drinking water intakes was estimated using distributions of measured dioxane concentrations in effluents from 40 WWTPs and surface water dilution factors of 1323 drinking water intakes across the United States. Effluent samples were spiked with a d8-1,4-dioxane internal standard in the field immediately after sample collection. Dioxane was extracted with ENVI-CARB-Plus solid phase columns and analyzed by GC/MS/MS, with a limit of quantification of 0.30 μg/L. Measured dioxane concentrations in domestic wastewater effluents ranged from &lt;0.30 to 3.30 μg/L, with a mean concentration of 1.11 ± 0.60 μg/L. Dilution of upstream inputs of effluent were estimated for US drinking water intakes using the iSTREEM model at mean flow conditions, assuming no in-stream loss of dioxane. Dilution factors ranged from 2.6 to 48 113, with a mean of 875. The distributions of dilution factors and dioxane concentration in effluent were then combined using Monte Carlo analysis to estimate dioxane concentrations at drinking water intakes. This analysis showed the probability was negligible (p = 0.0031) that dioxane inputs from upstream WWTPs could result in intake concentrations exceeding the USEPA drinking water advisory concentration of 0.35 μg/L, before any treatment of the water for drinking use. Integr Environ Assess Manag 2013;9:554–559. © 2013 SETAC
WHY IMPROVING IRRIGATION EFFICIENCY INCREASES TOTAL VOLUME OF CONSUMPTIVE USE
Authors: Contor Bryce A. , Taylor R. Garth 
Published: May 2013

ABSTRACTThe common prescription for dealing with limited supplies of water is to improve irrigation efficiency, that is, to reduce gross delivery to farm fields while maintaining full crop production. The public and some policy makers continue to assume that the water thus saved constitutes a new supply that may be applied to other uses. Scientists and hydrologists have long understood that the nonconsumed fraction of applied water often becomes the source for another human or ecosystem purpose after leaving the field, and irrigation improvements interrupt these uses. Thoughtful researchers have provided valuable guidance in conceptual frameworks and analysis procedures to address this issue. Researchers have also noted empirically that total consumptive use often increases when efficiency improves, and have cited case‐specific reasons that this occurs. This paper shows it is a general case arising from rational producer behavior in equating the marginal cost of a production input (irrigation water) with its marginal benefit. At any nonzero marginal cost of water, improving irrigation efficiency enables the irrigator to be willing and able to purchase a quantity of irrigation water that sustains more consumptive use than was possible with the prior, less efficient system.A case study indicates that improving efficiency from 60 to 80% reduces field delivery of irrigation water by 15% but increases consumptive use by 3%. Copyright © 2013 John Wiley & Sons, Ltd.
Toxicity assessment of manganese oxide micro and nanoparticles in Wistar rats after 28 days of repeated oral exposure
Authors: Singh Shailendra Pratap , Kumari Monika , Kumari Srinivas I. , Rahman Mohammed F. , Mahboob M. , Grover Paramjit 
Published: May 2013

ABSTRACTIn the near future, nanotechnology is envisaged for large‐scale use. Hence health and safety issues of nanoparticles (NPs) should be promptly addressed. Twenty‐eight‐day oral toxicity, genotoxicity, biochemical alterations, histopathological changes and tissue distribution of nano and microparticles (MPs) of manganese oxide (MnO2) in Wistar rats was studied. Genotoxicity was assessed using comet, micronucleus and chromosomal aberration assays. The results demonstrated a significant increase in DNA damage in leukocytes, micronuclei and chromosomal aberrations in bone marrow cells after exposure of MnO2‐NPs at 1000, 300 mg kg–1 bw per day and MnO2‐MPs at the dose of 1000 mg kg–1 bw per day. Our findings showed acetylcholinestrase inhibition at 1000 as well as at 300 mg kg–1 bw per day in blood and with all the doses in the brain indicating the toxicity of MnO2‐NPs. Further, the doses significantly inhibited different ATPases in the brain P2 fraction. Significant changes were observed in aspartate aminotransferase (AST), alanine aminotransferase (ALT) and lactate dehydrogenase (LDH) in the liver, kidney and serum in a dose‐dependent manner. MnO2‐MPs at 1000 mg kg–1 bw per day were found to induce significant alterations in biochemical enzymes. A significant distribution was found in all the tissues in a dose‐dependent manner. MnO2‐NPs showed a much higher absorptivity and tissue distribution as compared with MnO2‐MPs. A large fraction of MnO2‐NPs and MnO2‐MPs was cleared by urine and feces. Histopathological analysis revealed that MnO2‐NPs caused alterations in liver, spleen, kidney and brain. The MnO2‐NPs induced toxicity at lower doses compared with MnO2‐MPs. Further, this study did not display gender differences after exposure to MnO2‐NPs and MnO2‐MPs. Therefore, the results suggested that prolonged exposure to MnO2 has the potential to cause genetic damage, biochemical alterations and histological changes. Copyright © 2013 John Wiley & Sons, Ltd.