bluuebunny/crossref_metadata_2025_split huggingface dataset:
Acoustic Radiation Force Impulse Quantification in the Evaluation of Renal Parenchyma Elasticity in Pediatric Patients With Chronic Kidney Disease: Preliminary Results
Authors: Bilgici Meltem Ceyhan , Bekci Tumay , Genc Gurkan , Tekcan Demet , Tomak Leman 
Published: April 2017

ObjectivesTo evaluate renal parenchymal elasticity with acoustic radiation force impulse imaging in pediatric patients with chronic kidney disease (CKD) and compare with healthy volunteers.MethodsThirty‐eight healthy volunteers and 30 pediatric CKD patients were enrolled in this prospective study. The shear wave velocity (SW) values of both kidneys in CKD patients and healthy volunteers were evaluated.ResultsThe mean SW in healthy volunteers was 2.21 ± 0.34 m/s, whereas the same value was 1.81 ± 0.49, 1.72 ± 0.63, 1.66 ± 0.29, 1.48 ± 0.37, and 1.23 ± 0.27 for stages 1, 2, 3, 4, and 5 in CKD patients, respectively. The SW was significantly lower for each stage in the CKD patients compared with healthy volunteers. Acoustic radiation force impulse could not predict the different stages of CKD, with the exception of stage 5. The cut‐off value for predicting CKD was 1.81 m/s; at this threshold, sensitivity was 76.5% and specificity was 92.1% (area under the curve = 0.870 [95% confidence interval: 0.750–0.990]; P < .001). Interobserver agreement expressed as intraclass coefficient correlation was 0.65 (95% confidence interval: 0.34 to 0.83; P < .001).ConclusionsAcoustic radiation force impulse may be a potentially useful tool in detecting CKD in pediatric patients.
Boron‐Dependency of Molybdenum Boride Electrocatalysts for the Hydrogen Evolution Reaction
Authors: Park Hyounmyung , Encinas Andrew , Scheifers Jan P. , Zhang Yuemei , Fokwa Boniface P. T. 
Published: April 2017

AbstractMolybdenum‐based materials have been considered as alternative catalysts to noble metals, such as platinum, for the hydrogen evolution reaction (HER). We have synthesized four binary bulk molybdenum borides Mo2B, α‐MoB, β‐MoB, and MoB2 by arc‐melting. All four phases were tested for their electrocatalytic activity (linear sweep voltammetry) and stability (cyclic voltammetry) with respect to the HER in acidic conditions. Three of these phases were studied for their HER activity and by X‐ray photoelectron spectroscopy (XPS) for the first time; MoB2 and β‐MoB show excellent activity in the same range as the recently reported α‐MoB and β‐Mo2C phases, while the molybdenum richest phase Mo2B show significantly lower HER activity, indicating a strong boron‐dependency of these borides for the HER. In addition, MoB2 and β‐MoB show long‐term cycle stability in acidic solution.
Taming Silicon Congeners of CO and CO2: Synthesis of Monomeric SiII and SiIV Chalcogenide Complexes
Authors: Burchert Alexander , Müller Robert , Yao Shenglai , Schattenberg Caspar , Xiong Yun , Kaupp Martin , Driess Matthias 
Published: April 2017

AbstractThe synthesis of the unprecedented monomeric SiII selenide complex (bis‐NHC)Si=Se→GaCl3 2 (bis‐NHC=bis‐N heterocyclic carbene, H2C[{NC(H)=C(H)N(Dipp)}C:]2, Dipp=2,6‐iPr2C6H3), bearing the elusive SiSe ligand as a heavy CO homologue by the reaction of the silylone–GaCl3 adduct (bis‐NHC)Si→GaCl3 1 with elemental selenium in acetonitrile, is reported. The similar conversion of 1 with excess selenium conducted in THF afforded the SiSe2 complex (bis‐NHC)Si(=Se)Se→GaCl3 3. Remarkably, the reaction of 1 with Te=P(nBu)3 as a gentle Te transfer reagent led to the isolation of the monomeric SiTe2 complex (bis‐NHC)SiTe2 4, the first structurally characterized Lewis acid free heavy CO2 homologue complex. The isolated compounds 2, 3, and 4 have been fully characterized, including single‐crystal X‐ray diffraction analyses. Their electronic structures and spectroscopic data have also been studied by quantum‐chemical calculations.
Organocatalytic Nucleophilic Addition of Hydrazones to Imines: Synthesis of Enantioenriched Vicinal Diamines
Authors: Wang Yang , Wang Qian , Zhu Jieping 
Published: April 2017

AbstractIn the presence of a catalytic amount of chiral phosphoric acid, nucleophilic addition of N‐monosubstituted hydrazones to N‐Boc imines affords differentially protected vicinal diamines in the form of β‐amino N,N′‐dialkyldiazenes in excellent yields with high chemo‐, diastereo‐, and enantioselectivity. This catalytic asymmetric aza‐Mannich reaction represents the first example in which N‐alkyl hydrazones serve as α‐azo carbanion equivalents to provide vicinal diamines with control of the two contiguous stereocenters. The adducts are readily converted into the monoprotected or free diamines and derivatives thereof.
Enhanced and Optically Switchable Proton Conductivity in a Melting Coordination Polymer Crystal
Authors: Nagarkar Sanjog S. , Horike Satoshi , Itakura Tomoya , Le Ouay Benjamin , Demessence Aude , Tsujimoto Masahiko , Kitagawa Susumu 
Published: April 2017

AbstractThe melting behavior of a coordination polymer (CP) crystal was utilized to achieve enhanced and optically switchable proton conductivity in the solid state. The strong acid molecules (triflic acid) were doped in one‐dimensional (1D) CP, [Zn(HPO4)(H2PO4)2](ImH2)2 (ImH2=monoprotonated imidazole) in the melt state, and overall enhancement in the proton conductivity was obtained. The enhanced proton conductivity is assigned to increased number of mobile protons and defects created by acid doping. Optical control over proton conductivity in the CP is achieved by doping of the photo acid molecule pyranine into the melted CP. The pyranine reversibly generates the mobile acidic protons and local defects in the glassy state of CP resulting in the bulk switchable conductivity mediated by light irradiation. Utilization of CP crystal in liquid state enables to be a novel route to incorporate functional molecules and defects, and it provides a tool to control the bulk properties of the CP material.
From Biography to Osteobiography: An Example of Anthropological Historical Identification of the Remains of St. Paul
Authors: Mihanović Frane , Jerković Ivan , Kružić Ivana , Anđelinović Šimun , Janković Stipan , Bašić Željana 
Published: April 2017

ABSTRACTIn the identification process of historical figures, and especially in cases of Saint's bodies or mummified remains, any method that includes physical encroachment or sampling is often not allowed. In these cases, one of the few remaining possibilities is the application of nondestructive radiographical and anthropological methods. However, although there have been a few attempts of such analyses, no systematic standard methodology has been developed until now. In this study, we developed a methodological approach that was used to test the authenticity of the alleged body of Saint Paul the Confessor. Upon imaging the remains on MSCT and post‐processing, the images were analyzed by an interdisciplinary team to explore the contents beneath the binding media (e.g., the remains) and to obtain osetobiographical data for comparison with historical biological data. Obtained results: ancestry, sex, age, occupation, and social status were consistent with historical data. Although the methodological approach proved to be appropriate in this case, due to the discrepancy in the amount of data, identity could not be fully confirmed. Nonetheless, the hypothesis that the remains do not belong to St. Paul was rejected, whilst positive identification receives support. Anat Rec, 300:1535–1546, 2017. © 2017 Wiley Periodicals, Inc.
Recent Developments in the Preparation of Silicones with Antimicrobial Properties
Authors: Kottmann Annika , Mejía Esteban , Hémery Thérèse , Klein Johann , Kragl Udo 
Published: April 2017

AbstractThis Focus Review describes state‐of‐the‐art methods for the preparation of antimicrobial silicones. Given the diversity of antimicrobial activity and their mechanisms, the performance of these materials is highly dependent on the characteristics of the polymeric matrix. Therefore, different synthetic routes have been developed, such as 1) physical treatments, 2) chemical transformations, and 3) copolymerization. This classification is not exclusive, so some products belong to more than one class. Herein, we attempt to present a handy overview of the development of antimicrobial silicones, their most important application fields, the most relevant antimicrobial assays, and, as the title suggests, an overview of the most relevant preparation methods.
Noninvasive characterization of pancreatic tumor mouse models using magnetic resonance imaging
Authors: Farr Navid , Wang Yak‐Nam , D'Andrea Samantha , Gravelle Kayla M , Hwang Joo Ha , Lee Donghoon 
Published: April 2017

AbstractThe preclinical models of pancreatic adenocarcinoma provide an alternative means for determining the mechanisms of malignancy and possibilities for treatments, thus representing a resource of immense potential for cancer treatment in medicine. To evaluate different tumor models, quantifiable magnetic resonance imaging (MRI) techniques can play a significant role in identifying valuable in vivo biomarkers of tumor characteristics. We characterized three models of pancreatic cancer with multiparametric MRI techniques. Tumor stromal density of each tumor was measured using diffusion‐weighted imaging and magnetization transfer (MT‐MRI). Histologic measurement showed a similar trend with tumor fibrosis levels. Results indicated that MRI measurements can serve as a valuable tool in identifying and evaluating tumor characteristics.
Probing the CMP‐Sialic Acid Donor Specificity of Two Human β‐d‐Galactoside Sialyltransferases (ST3Gal I and ST6Gal I) Selectively Acting on O‐ and N‐Glycosylproteins
Authors: Noel Maxence , Gilormini Pierre‐André , Cogez Virginie , Yamakawa Nao , Vicogne Dorothée , Lion Cédric , Biot Christophe , Guérardel Yann , Harduin‐Lepers Anne 
Published: April 2017

AbstractSialylation of glycoproteins and glycolipids is catalyzed by sialyltransferases in the Golgi of mammalian cells, whereby sialic acid residues are added at the nonreducing ends of oligosaccharides. Because sialylated glycans play critical roles in a number of human physio‐pathological processes, the past two decades have witnessed the development of modified sialic acid derivatives for a better understanding of sialic acid biology and for the development of new therapeutic targets. However, nothing is known about how individual mammalian sialyltransferases tolerate and behave towards these unnatural CMP‐sialic acid donors. In this study, we devised several approaches to investigate the donor specificity of the human β‐d‐galactoside sialyltransferases ST6Gal I and ST3Gal I by using two CMP‐sialic acids: CMP‐Neu5Ac, and CMP‐Neu5N‐(4pentynoyl)neuraminic acid (CMP‐SiaNAl), an unnatural CMP‐sialic acid donor with an extended and functionalized N‐acyl moiety.
Diastereoselective Radical‐Type Cyclopropanation of Electron‐Deficient Alkenes Mediated by the Highly Active Cobalt(II) Tetramethyltetraaza[14]annulene Catalyst
Authors: Chirila Andrei , Gopal Das Braja , Paul Nanda D. , de Bruin Bas 
Published: April 2017

AbstractThe front cover artwork for Issue 8/2017 is provided by the homogeneous catalysis group in Amsterdam. The image shows [Co(MeTAA)], a fast cyclopropanation catalyst, rapidly approaching Earth's atmosphere like a comet. See the Full Paper itself at https://doi.org/10.1002/cctc.201601568.
Model of Temperature Cycle‐Induced Deracemization via Differences in Crystal Growth Rate Dispersion
Authors: Uchin Ratchanon , Suwannasang Kittisak , Flood Adrian E. 
Published: April 2017

AbstractA racemic suspension of a conglomerate‐forming system can be converted to a homochiral suspension where the solute in the solution phase undergoes fast racemization through temperature fluctuations, i.e., temperature cycle‐induced deracemization. Previously, a mathematical model of chiral symmetry breaking due to differences in distributions of crystal growth rate activities between the two enantiomorphs was proposed. This model was a simplification since it used a very low number of crystals. Herein, the deracemization process was simulated using continuous distributions for the population of crystals and the growth rate of crystals which results in far more accurate simulations. The mechanism produces results similar to that achieved in experiments. The results from the gCrystal program demonstrated that complete chiral conversion to the enantiomorph with the wider dispersion in growth rate activity occurred in the solid phase.
Mapping the Trajectory of Nucleophilic Substitution at Silicon Using aperi‐Substituted Acenaphthyl Scaffold
Authors: Hupf Emanuel , Olaru Marian , Raţ Ciprian I. , Fugel Malte , Hübschle Christian B. , Lork Enno , Grabowsky Simon , Mebs Stefan , Beckmann Jens 
Published: April 2017

AbstractThe second‐order nucleophilic substitution (SN2) reaction at a silicon atom is scrutinized by means of snapshots along a pseudoreaction coordinate. Phosphine and fluoride represent both attacking and leaving groups in the modeled SN2 reaction. In the experimentally obtained 5‐diphenylphosphinoacenaphth‐6‐yl‐dimethylfluorosilane,1, the phosphine and fluorosilane moieties are forced into immediate proximity through an acenaphthyl scaffold, that is, they exhibitperiinteractions that serve as the model of the reactant ion–molecule complex and starting point for a theoretical potential‐energy surface (PES) scan. Upon dissociation of fluoride, the experimentally obtained silylphosphonium cation2serves as a model of the product and end point of the PES scan. The pseudoreaction pathway is studied using geometric, energetic, spectroscopic, molecular‐orbital, and topological real‐space bonding indicators. It becomes evident that it is crucial to combine such methods to understand the pseudoreaction because they reveal different aspects based on different sensitivity to dispersive, electrostatic, and polar‐covalent contributions to bonding, as shown by the reduced density gradient analysis. For example, atoms‐in‐molecules theory describes a late topological catastrophe, whereas the electron localizability indicator describes an early concerted reaction and natural resonance theory describes a more gradual change of properties. This case study encourages the use of a well‐balanced toolbox equipped with complementary methods to emphasize different aspects of bonding.
Employing BINOL‐Phosphoroselenoyl Chloride for Selective Inositol Phosphorylation and Synthesis of Glycosyl Inositol Phospholipid from Entamoeba histolytica
Authors: Aiba Toshihiko , Suehara Sae , Choy Siew‐Ling , Maekawa Yuuki , Lotter Hannelore , Murai Toshiaki , Inuki Shinsuke , Fukase Koichi , Fujimoto Yukari 
Published: April 2017

AbstractThe chemical synthesis of glycosyl inositol phospholipids from Entamoeba histolytica is reported. The key feature of this synthesis is a regioselective phosphorylation reaction that occurs through desymmetrization of a myo‐inositol derivative with phosphoroselenoyl chloride. A new protecting‐group strategy was developed that utilizes allyl and alloc groups to synthesize complex glycolipids bearing unsaturated lipids. These developments provided an efficient synthetic route for various complex inositol phospholipids and their analogues. Furthermore, the binding affinity of the synthetic inositol phospholipids with mouse CD1d molecules has been evaluated, as well as the immunostimulatory activity.
Outer‐Sphere Reactivity Shift of Secondary Phosphine Oxide‐Based Nickel Complexes: From Ethylene Hydrophosphinylation to Oligomerization
Authors: Lhermet Rudy , Moser Emile , Jeanneau Erwann , Olivier‐Bourbigou Hélène , Breuil Pierre‐Alain R. 
Published: April 2017

AbstractA new dimension for secondary phosphine oxide (SPOs) ligands is described in this article. Demonstrated on original π‐allylic nickel structures, these self‐assembled complexes trigger catalytic hydrophosphinylation reactions. Addition of a Lewis acid B(C6F5)3 switches the reactivity towards migratory insertion and thus ethylene oligomerization through an unprecedented outer‐sphere interaction with the coordinated SPO ligand. NMR experiments and X‐ray analyses allowed for the observation of the formation of zwitterionic active species as well as their degradation pathway.
Role of the Methoxy Groups in Cryptophanes for Complexation of Xenon: Conformational Selection Evidence from 129Xe‐1H NMR SPINOE Experiments
Authors: Berthault Patrick , Boutin Céline , Léonce Estelle , Jeanneau Erwann , Brotin Thierry 
Published: April 2017

AbstractWe report the laser‐polarized 129Xe and 1H NMR spectra of a series of cryptophane derivatives that differ only by the number of methoxy groups attached on their benzene rings and the syn or anti arrangement of the linkers (compounds 6 a–s, 9 a–s, 12 a–s). All these compounds bind xenon even though the characteristic signal of the gas encapsulated in the cavity of the cage‐molecule cannot always be detected. Interestingly, the exchange dynamics of xenon strongly depends on the degree of substitution and is different from that of the cryptophane derivatives studied previously. In solution, the 1H NMR spectra of these derivatives show the presence of different conformations in a slow exchange regime that can be explained by a decrease of the flexibility of their skeleton. Thanks to 129Xe‐1H dipolar cross‐relaxation (SPINOE) spectra, we demonstrate that a single conformation present in solution can bind xenon.
Quantitative High‐Throughput Screening Using a Coincidence Reporter Biocircuit
Authors: Schuck Brittany W. , MacArthur Ryan , Inglese James 
Published: April 2017

AbstractReporter‐biased artifacts—i.e., compounds that interact directly with the reporter enzyme used in a high‐throughput screening (HTS) assay and not the biological process or pharmacology being interrogated—are now widely recognized to reduce the efficiency and quality of HTS used for chemical probe and therapeutic development. Furthermore, narrow or single‐concentration HTS perpetuates false negatives during primary screening campaigns. Titration‐based HTS, or quantitative HTS (qHTS), and coincidence reporter technology can be employed to reduce false negatives and false positives, respectively, thereby increasing the quality and efficiency of primary screening efforts, where the number of compounds investigated can range from tens of thousands to millions. The three protocols described here allow for generation of a coincidence reporter (CR) biocircuit to interrogate a biological or pharmacological question of interest, generation of a stable cell line expressing the CR biocircuit, and qHTS using the CR biocircuit to efficiently identify high‐quality biologically active small molecules. © 2017 by John Wiley & Sons, Inc.
Cooperative breeding shapes post‐fledging survival in an Afrotropical forest bird
Authors: Van de Loock Dries , Strubbe Diederik , De Neve Liesbeth , Githiru Mwangi , Matthysen Erik , Lens Luc 
Published: April 2017

AbstractFor avian group living to be evolutionary stable, multiple fitness benefits are expected. Yet, the difficulty of tracking fledglings, and thus estimating their survival rates, limits our knowledge on how such benefits may manifest postfledging. We radio‐tagged breeding females of the Afrotropical cooperatively breeding Placid greenbul (Phyllastrephus placidus)during nesting. Tracking these females after fledging permitted us to locate juvenile birds, their parents, and any helpers present and to build individual fledgling resighting datasets without incurring mortality costs or causing premature fledging due to handling or transmitter effects. A Bayesian framework was used to infer age‐specific mortality rates in relation to group size, fledging date, maternal condition, and nestling condition. Postfledging survival was positively related to group size, with fledglings raised in groups with four helpers showing nearly 30% higher survival until independence compared with pair‐only offspring, independent of fledging date, maternal condition or nestling condition. Our results demonstrate the importance of studying the early dependency period just after fledging when assessing presumed benefits of cooperative breeding. While studying small, mobile organisms after they leave the nest remains highly challenging, we argue that the telemetric approach proposed here may be a broadly applicable method to obtain unbiased estimates of postfledging survival.
Design of photovoltaics for modules with 50% efficiency
Authors: Warmann Emily C. , Flowers Cristofer , Lloyd John , Eisler Carissa N. , Escarra Matthew D. , Atwater Harry A. 
Published: April 2017

AbstractWe describe a spectrum splitting solar module design approach using ensembles of 2–20 subcells with bandgaps optimized for the AM1.5D spectrum. Device physics calculations and experimental data determine radiative efficiency parameters for III‐V compound semiconductor subcells and enable modification of conventional detailed balance calculations to predict module efficiency while retaining computational speed for a wide search of the design space. Accounting for nonideal absorption and recombination rates due to realistic material imperfections allows us to identify the minimum subcell quantity, quality, electrical connection configuration, and concentration required for 50% module efficiency with realistic optical losses and modeled contact resistance losses. We predict a module efficiency of 50% or greater will be possible with 7–10 electrically independent subcells in a spectral splitting optic at 300–500 suns concentration, assuming a 90% optical efficiency and 98% electrical efficiency, provided the subcells can achieve an average external radiative efficiency of 3–5% and a short circuit current that is at least 90% of the ideal. In examining spectrum splitting solar cells with both series‐connected and electrically independent subcells, we identify a new design trade‐off independent of the challenges of fabricating optimal bandgap combinations. Series‐connected ensembles, having a single set of electrical contacts, are less sensitive to lumped series resistance losses than ensembles where each subcells are contacted independently. By contrast, ensembles with electrically independent subcells can achieve lower radiative losses when the subcells are designed for good optical confinement. Distributing electrically independent subcells in a concentrating receiver module allows flexibility in subcell selection and fabrication, and can achieve ultra‐high efficiency with conventional III‐V cell technology.