bluuebunny/crossref_metadata_2025_split huggingface dataset:
Fluorescent Hydrogel‐Coated Paper/Textile as Flexible Chemosensor for Visual and Wearable Mercury(II) Detection
Authors: Zhang Dong , Zhang Yuchong , Lu Wei , Le Xiaoxia , Li Ping , Huang Lei , Zhang Jiawei , Yang Jintao , Serpe Michael J. , Chen Daoding , Chen Tao 
Published: September 2018

AbstractIn some industrial districts, abuse discharge of waste water has resulted in serious Hg2+ pollution in seafood, grain, and even drinking water. In order to protect people from mercury(II)‐polluted food and water, many solid‐state fluorescent Hg2+‐sensing materials are developed in terms of facile operation. However, one primary challenging issue is the restricted sensitivity caused by hindered slow diffusion of aqueous testing samples inside these conventional hydrophobic, dense, and rigid film materials. Herein, robust hydrophilic fluorescent hydrogel‐coated flexible paper/textile film chemosensors are reported. Their design relies on a specific chemical reaction between Hg2+ and the grafted thiourea moieties to induce remarkable “green‐to‐blue” emission color change. Thanks to their hierarchical porous structures fixed by interwoven paper/textile fibers, these flexible chemosensors allow fast capillary‐force‐driven mercury(II) diffusion into the hydrophilic hydrogel matrix, thus enabling visual detection of nearly nM‐level Hg2+. On this basis, robust fluorescent hydrogel‐coated wearable sensing gloves are fabricated for the first time, which significantly facilitate infield visual detection and effectively protect operators far from the toxic Hg2+‐polluted samples. These developed flexible wearable sensing systems might not only hold great potential applications in mercury(II) detection, but also inspire the development of next‐generation sensing apparatus for other food and environmental pollutants.
Perspectives on Thermoelectricity in Layered and 2D Materials
Authors: Wu Jing , Chen Yabin , Wu Junqiao , Hippalgaonkar Kedar 
Published: September 2018

AbstractLayered materials have garnered immense interest due to their unique electronic, mechanical, thermal, and optoelectronic properties. In these materials, atomically thin layers are held together by van der Waals (vdW) interactions, allowing single layers to be isolated and studied as 2D materials. New theoretical insights as well as novel experimental techniques have empowered recent developments in both thermoelectric physics and performance of 2D materials. In this Review, some of the key ideas are surveyed and open questions are discussed, laying out a vision for original discoveries in this still‐emerging field of applied physics. Here, graphene, transition metal dichalcogenides, black phosphorus, topological insulators as well as intercalated compounds are in focus. With these materials as a platform, how band structure, hydrodynamics, metal–insulator transitions, anisotropy, and surface states affect phonons and electrons and manifest in their thermoelectric properties is analyzed.
Ligand‐Controlled Assembly of Heteropolyoxomolybdates from Plenary Keggin Germanomolybdates and Cu–Ln Heterometallic Units
Authors: Gong Pei‐Jun , Pang Jing‐Jing , Hu Hui‐Fen , Li Hui‐Jie , Chen Li‐Juan , Zhao Jun‐Wei 
Published: September 2018

AbstractBy virtue of combining an in‐situ assembly process with a stepwise synthesis in conventional aqueous solution, two series of unique organic–inorganic hybrid heteropolyoxomolybdates were constructed from plenary Keggin germanomolybdates and Cu–Ln heterometallic units and fully characterized: [H2INA]2H8[LnCu(INA)4(H2O)6]2[α‐GeMo12O40]3⋅52 H2O (Ln=La3+ (1), Ce3+ (2), Pr3+ (3), Nd3+ (4), Sm3+ (5), Eu3+ (6); HINA=isonicotinic acid) and (NH4)[Cu(PA)2][Cu(PA)2Ln(H2O)8][α‐GeMo12O40]⋅10 H2O (Ln=Nd3+ (7), Sm3+ (8), Eu3+ (9); HPA=picolinic acid). The most remarkable structural characteristic of compounds 1–6 was that their molecular units were defined by three discrete plenary Keggin [α‐GeMo12O40]4− polyoxoanions and two organic–inorganic hybrid heterometallic [LnCu(INA)4(H2O)6]+ moieties, whereas compounds 7–9 exhibited a nice‐looking 1D chain‐like structure that was built from plenary [α‐GeMo12O40]4− polyoxoanions, pendent [Cu(PA)2] complexes, and bridging {[Cu(PA)2][Ln(H2O)8]}3+ heterometallic groups. Notably, two different pyridine carboxylic acid ligands led to the discrepancy between the two structure types. To the best of our knowledge, compounds 1–9 constitute the first examples of plenary Keggin heterometallic germanomolybdates that include Cu–Ln–organic subunits. Further studies revealed that compounds 3 and 8 exhibited fast adsorption capacity for cationic dyes methylene blue (MB) and rhodamine B (RhB) in water. Moreover, compounds 3 and 8 could quickly and selectively adsorb MB from a mixture of MB/methyl orange (MO) or MB/azophloxine (Apo).
Robustness‐evaluation of a stochastic dynamic system and the instant equivalent extreme‐value event
Authors: Ding Luchuan , Botte Wouter , Van Coile Ruben , Caspeele Robby 
Published: September 2018

AbstractMany theoretical methods for evaluating robustness have been developed in the last decades. Especially probability‐based robustness quantification promises to provide a rational basis for decision‐making. To allow for this type of robustness evaluation, the probability of failure (or the corresponding reliability index) of the structural system in the damaged and the undamaged state has to be determined. In this paper, the Probability Density Evolution Method (PDEM) is used to evaluate the dynamic reliability, taking into account the randomness which comes both from the excitation and from the stochastic system properties. The efficiency of the PDEM for robustness quantification is evaluated through a simple cargo crane example case. In addition, the instant equivalent extreme‐value event, which is quite different from the equivalent extreme‐value event for one variable, is applied to obtain the extreme value of reaction forces for each sample at instant time.
Design for lifecycle robustness of fastening systems
Authors: Podroužek Jan , Vorel Jan , Wan‐Wendner Roman 
Published: September 2018

AbstractThe future requirements on faster and automated construction, improved life‐cycle performance and sustainability of infrastructure in general increasingly promote the use of fastening technology. This paper addresses the concept of lifecycle robustness by introducing an ensemble of technical and management measures, covering the entire life span from design, construction, operation and decommissioning. Although a significant research on robustness and performance indicators has been performed in related areas, such as bridges or nuclear power plants, a framework for the quantification of lifecycle robustness of fastening systems is still not available. The presented proposals are based on the synthesis of theoretical and technological progress, established engineering design approaches and communication procedures, and experimental evidence, all originating from in‐house research and industrial partners. Rather than discussing particular technical aspects, this paper focuses on the uncertainty management and hazard mitigation policies through the entire life span of the fastening systems.
Coronary fractional flow reserve derived from intravascular ultrasound imaging: Validation of a new computational method of fusion between anatomy and physiology
Authors: Bezerra Cristiano G. , Hideo‐Kajita Alexandre , Bulant Carlos A. , Maso‐Talou Gonzalo D. , Mariani Jose , Pinton Fabio A. , Falcão Breno A. A. , Esteves‐Filho Antônio , Franken Marcelo , Feijóo Raúl A. , Kalil‐Filho Roberto , Garcia‐Garcia Hector M. , Blanco Pablo J. , Lemos Pedro A. 
Published: September 2018

AbstractObjectivesTo evaluate the diagnostic performance of a novel computational algorithm based on three‐dimensional intravascular ultrasound (IVUS) imaging in estimating fractional flow reserve (IVUSFR), compared to gold‐standard invasive measurements (FFRINVAS).BackgroundIVUS provides accurate anatomical evaluation of the lumen and vessel wall and has been validated as a useful tool to guide percutaneous coronary intervention. However, IVUS poorly represents the functional status (i.e., flow‐related information) of the imaged vessel.MethodsPatients with known or suspected stable coronary disease scheduled for elective cardiac catheterization underwent FFRINVAS measurement and IVUS imaging in the same procedure to evaluate intermediate lesions. A processing methodology was applied on IVUS to generate a computational mesh condensing the geometric characteristics of the vessel. Computation of IVUSFR was obtained from patient‐level morphological definition of arterial districts and from territory‐specific boundary conditions. FFRINVAS measurements were dichotomized at the 0.80 threshold to define hemodynamically significant lesions.ResultsA total of 24 patients with 34 vessels were analyzed. IVUSFR significantly correlated (r = 0.79; P < 0.001) and showed good agreement with FFRINVAS, with a mean difference of −0.008 ± 0.067 (P = 0.47). IVUSFR presented an overall accuracy, sensitivity, specificity, positive predictive value, and negative predictive value of 91%, 89%, 92%, 80%, and 96%, respectively, to detect significant stenosis.ConclusionThe computational processing of IVUSFR is a new method that allows the evaluation of the functional significance of coronary stenosis in an accurate way, enriching the anatomical information of grayscale IVUS.
CT determined psoas muscle area predicts mortality in women undergoing transcatheter aortic valve implantation
Authors: van Mourik Martijn S. , Janmaat Yvonne C. , van Kesteren Floortje , Vendrik Jeroen , Planken R. Nils , Henstra Marieke J. , Velu Juliëtte F. , Vlastra Wieneke , Zwinderman Aeilko H. , Koch Karel T. , de Winter Robbert J. , Wykrzykowska Joanna J. , Piek Jan J. , Henriques José P. S. , Lanting Vincent R. , Baan Jan , Latour Corine , Lindeboom Robert , Vis M. Marije 
Published: September 2018

AbstractObjectivesThe aim of this study was to assess the predictive value of PMA measurement for mortality.BackgroundCurrent surgical risk stratification have limited predictive value in the transcatheter aortic valve implantation (TAVI) population. In TAVI workup, a CT scan is routinely performed but body composition is not analyzed. Psoas muscle area (PMA) reflects a patient's global muscle mass and accordingly PMA might serve as a quantifiable frailty measure.MethodsMulti‐slice computed tomography scans (between 2010 and 2016) of 583 consecutive TAVI patients were reviewed. Patients were divided into equal sex‐specific tertiles (low, mid, and high) according to an indexed PMA. Hazard ratios (HR) and their confidence intervals (CI) were determined for cardiac and all‐cause mortality after TAVI.ResultsLow iPMA was associated with cardiac and all‐cause mortality in females. One‐year adjusted cardiac mortality HR in females for mid‐iPMA and high‐iPMA were 0.14 [95%CI, 0.05–0.45] and 0.40 [95%CI, 0.15–0.97], respectively. Similar effects were observed for 30‐day and 2‐years cardiac and all‐cause mortality. In females, adding iPMA to surgical risk scores improved the predictive value for 1‐year mortality. C‐statistics changed from 0.63 [CI = 0.54–0.73] to 0.67 [CI: 0.58–0.75] for EuroSCORE II and from 0.67 [CI: 0.59–0.77] to 0.72 [CI: 0.63–0.80] for STS‐PROM.ConclusionsParticularly in females, low iPMA is independently associated with an higher all‐cause and cardiac mortality. Prospective studies should confirm whether PMA or other body composition parameters should be extracted automatically from CT‐scans to include in clinical decision making and outcome prediction for TAVI.
Blending studies using wheat and lentil cotyledon flour—Effects on rheology and bread quality
Authors: Portman Drew , Blanchard Chris , Maharjan Pankaj , McDonald Linda S. , Mawson John , Naiker Mani , Panozzo Joe F. 
Published: September 2018

AbstractBackground and objectivesLentil (Lens Culinaris. Medik) is a highly nutritious food staple widely consumed within India subcontinent and the Mediterranean region. Although gaining popularity in western diets, wheat will continue to be a major crop as it can be used to manufacture a wide range of products. The nutritional benefits of lentils are acknowledged, particularly as a source of high protein so the incorporation of lentil flour into wheat‐based foods has the potential to improve the nutritive value of range food products. Twelve blended flours were made using different concentrations of red lentil cotyledon, wheat, and additional gluten. A blending study was undertaken to access yeast vitality, rheological properties of dough and baking characteristic of resulting bread.FindingsHigh ratio blends of lentil flour had no negative effect on yeast vitality even at the highest concentration of 40%. Increasing substitution of lentil flour was highly correlated to increased protein (r = 0.98) and ash (r = 0.95) and a concomitant decrease in dough strength but not extensibility. Loaf volume and baking quality were also compromised at higher concentrations. At a concentration of 5% lentil flour, there were no deleterious effects on dough quality traits or on baking quality. The addition of bakers’ gluten 0.1 g/gram flour had a restorative effect on the rheological and baking characteristics of wheat–lentil composites at higher concentrations of up to 20%.ConclusionsOur results show that optimal baking quality of wheat–lentil flour can be achieved using either low concentrations of up to 5% lentil flour or up to 20% lentil flour with the addition of gluten which maintained a superior loaf and crumb quality.Significance and noveltyThe protein and ash content of baked breads significantly increased when wheat was partially substituted with lentil flour. The concentration of lentil flour decreased dough strength and dough development time and decreased loaf volume while increasing crumb firmness in resulting bread. The addition of gluten improved the rheological and product quality of bread which allowed higher concentrations of lentil flour to be used in bread making. Balancing the ratio of lentil flour and gluten to optimize the rheological properties will result in a composite wheat–lentil bread with acceptable baking performance and enhanced nutritional benefits for consumers.
Grain constituents and starch characteristics influencing in vitro enzymatic starch hydrolysis in Hungarian triticale genotypes developed for food consumption
Authors: Langó Bernadett , Jaiswal Sarita , Bóna Lajos , Tömösközi Sándor , Ács Erika , Chibbar Ravindra N. 
Published: September 2018

AbstractBackground and objectivesTriticale is mostly used for feed but there is an increasing interest for food consumption. In cereals, major storage carbohydrate is starch, whose concentration and composition influence the end use of the grain. Therefore, grain constituents focused on starch characteristics were analyzed in 11 triticale genotypes and compared to wheat and rye.FindingsSignificant genotypic variation was detected among the analyzed parameters, in triticale. Starch concentrations (59.2%–66.1%) were similar to wheat, and amylose varied in wide range (23.9%–34.5%). The A‐type starch granules had higher volume (70.5%–81.9%) similar to rye, but the amylopectin structure was in between rye and wheat. Both grain constituents and starch properties influenced starch in vitro enzymatic hydrolysis, where the triticale average was similar to wheat in meal, but extracted starch was more like in rye.ConclusionsThe advantageous properties and genotypic variation possessed by triticale starch suggest that targeted selection can be used to improve triticale grain quality and opens up the opportunity to use triticale not just in human food but develop value‐added products.Significance and noveltyThis research provides knowledge to understand better the food‐use aspects of triticale and revealed novel information about starch characteristics and amylopectin structure in relation to starch hydrolytic properties.
Stabilizing Co4+ Ions in Ultrathin Cobalt Oxide Nanosheets for Efficient Oxygen Evolution Reaction
Authors: Wang Jianghao , Li Liping , Li Jing , Meng Lingshen , Xue Chenglin , Li Guangshe 
Published: September 2018

AbstractStabilizing transition metal ions with high valence states in two‐dimensional materials is a promising way to enhance electrocatalytic activity for oxygen evolution reaction, but still remains challenging. In this work, we initially report on a synthetic strategy that combines etching and ion‐exchange processes to prepare ultrathin cobalt oxide nanosheets containing Co4+ ions. The presence of Co4+ ions makes Co−O bond more covalent, which is essential for adsorption of OH−, but also reduces the charge transfer resistance. Moreover, nanosheets thus prepared provided a large number of active sites for oxygen evolution reaction. Owing to these merits, these nanosheets exhibited an apparently superior activity towards oxygen evolution reaction, delivering an anodic current density of 10 mA cm−2 at 1.57 V (vs RHE), about an order of magnitude higher than that of cobalt oxide nanosheets without Co4+ ions and bulk LiCoO2. Further, the repeated availability of the optimized nanosheets for oxygen evolution reaction is excellent: the overpotential at about 10 mA cm−2 was retained in between 340 and 346 mV after continuous cycling for 5000 cycles.
Discovery of Small Molecule WWP2 Ubiquitin Ligase Inhibitors
Authors: Watt Jessica E. , Hughes Gregory R. , Walpole Samuel , Monaco Serena , Stephenson G. Richard , Bulman Page Philip C. , Hemmings Andrew M. , Angulo Jesus , Chantry Andrew 
Published: September 2018

AbstractWe have screened small molecule libraries specifically for inhibitors that target WWP2, an E3 ubiquitin ligase associated with tumour outgrowth and spread. Selected hits demonstrated dose‐dependent WWP2 inhibition, low micromolar IC50 values, and inhibition of PTEN substrate‐specific ubiquitination. Binding to WWP2 was confirmed by ligand‐based NMR spectroscopy. Furthermore, we used a combination of STD NMR, the recently developed DEEP‐STD NMR approach, and docking calculations, to propose for the first time an NMR‐validated 3D molecular model of a WWP2‐inhibitor complex. These first generation WWP2 inhibitors provide a molecular framework for informing organic synthetic approaches to improve activity and selectivity.
α‐Fluoroalcohols: Synthesis and Characterization of Perfluorinated Methanol, Ethanol and n‐Propanol, and their Oxonium Salts
Authors: Baxter Amanda F. , Schaab Jonas , Hegge Joachim , Saal Thomas , Vasiliu Monica , Dixon David A. , Haiges Ralf , Christe Karl O. 
Published: September 2018

AbstractThe thermally unstable, primary perfluoroalcohols, CF3OH, C2F5OH, and nC3F7OH, were conveniently prepared from the corresponding carbonyl compounds in anhydrous HF solution. Experimental values for the reaction enthalpies and entropies were derived from the temperature dependence of the RfCOF+HF⇄RfCF2OH (Rf=F, CF3, CF3CF2) equilibria by NMR spectroscopy. Electronic structure calculations of the gas‐phase and solution reaction energies, gas‐phase acidities and heats of formation were carried out at the G3MP2 level, showing that these compounds are strong acids. Protonation of these alcohols in HF/SbF5 produced the perfluoroalkyl oxonium salts RfCF2OH2+SbF6−.
Democratization of HPC cloud services with automated parallel solvers and application containers
Authors: Muhtaroglu Nitel , Ari Ismail , Kolcu Birkan 
Published: September 2018

SummaryIn this paper, we investigate several design choices for HPC services at different layers of the cloud computing architecture to simplify and broaden its use cases. We start with the platform‐as‐a‐service (PaaS) layer and compare direct and iterative parallel linear equation solvers. We observe that several matrix properties that can be identified before starting long‐running solvers can help HPC services automatically select the amount of computing resources per job, such that the job latency is minimized and the overall job throughput is maximized. As a proof of concept, we use classical problems in structural mechanics and mesh these problems with increasing granularities leading to various matrix sizes, ie, largest having 1 billion non‐zero elements. In addition to matrix size, we take into account matrix condition numbers, preconditioning effects, and solver types and execute these finite element analysis (FEA) over an IBM HPC cluster. Next, we focus on the infrastructure‐as‐a‐service (IaaS) layer and explore HPC application performance, load isolation, and deployment issues using application containers (Docker) while also comparing them to physical and virtual machines (VM) over a public cloud.
Molybdenum‐Based Co‐catalysts in Photocatalytic Hydrogen Production: Categories, Structures, and Roles
Authors: Ma Baojun , Li Dekang , Wang Xiaoyan , Lin Keying 
Published: September 2018

AbstractPhotocatalytic hydrogen production by using solar energy has attracted great interest around the world. The main challenges are the high costs of the photocatalysts and the low efficiency of photocatalytic hydrogen production. Co‐catalysts, as crucial components of photocatalysts, are usually used to stimulate photoexcited electron transfer from the light absorber to the surface, and they also catalyze the proton‐reduction reaction to form H2 in water. However, most co‐catalysts used in photocatalytic hydrogen production are noble metals, which are expensive and contradict the low‐costs demanded by industry. Therefore, the development of earth‐abundant and cheap co‐catalysts to replace noble metals is necessary for photocatalytic H2 production. This account highlights the performance and roles of molybdenum‐based non‐noble metal co‐catalysts in photocatalytic hydrogen production. We developed a series of inexpensive and efficient molybdenum‐based co‐catalysts. We demonstrated that more H2 could be produced by loading Mo‐based co‐catalysts on CdS by using the co‐precipitation method than by using traditional Pt/CdS same under the same photocatalytic conditions. The molybdenum‐based co‐catalysts were able to form heterojunctions, which served as bridges to facilitate the transport and separation of photogenerated charges; moreover, the molybdenum‐based co‐catalysts were able to accept and store photoexcited electrons owing to their large specific capacitance. The stored photoelectrons could then be released according to proton‐reduction processes to form H2. Furthermore, the molybdenum‐based co‐catalysts were found to have metastable state structures and multiple valence states, which provided more active sites and effectively catalyzed the production of H2 and inhibited the reverse reaction. The discovery of Mo‐based co‐catalysts with superior properties will provide guidance for the design of new co‐catalysts.