bluuebunny/crossref_metadata_2025_split huggingface dataset:
A Clade II‐D Fungal Chimeric Diterpene Synthase from Colletotrichum gloeosporioides Produces Dolasta‐1(15),8‐diene
Authors: Bian Guangkai , Rinkel Jan , Wang Zhangqian , Lauterbach Lukas , Hou Anwei , Yuan Yujie , Deng Zixin , Liu Tiangang , Dickschat Jeroen S. 
Published: October 2018

AbstractBased on a terpenoid overproduction platform in yeast for genome mining, a chimeric diterpene synthase from the endophytic fungus Colletotrichum gloeosporioides ES026 was characterized as the (5R,12R,14S)‐dolasta‐1(15),8‐diene synthase. The absolute configuration was independently verified through the use of enantioselectively deuterated terpene precursors, which unequivocally established the predicted C1‐III‐IV cyclization mode for this first characterized clade II‐D enzyme. Extensive isotopic labeling experiments and isolation of the intermediate (1R)‐δ‐araneosene supported the proposed cyclization mechanism.
Soil geochemical methods in archaeo‐geophysics: Exploring a combined approach at sites in Scotland
Authors: Cuenca‐García Carmen 
Published: October 2018

AbstractThis article explores the application of geophysical and soil geochemical methods to detect archaeological features in three traditionally ‘difficult’ survey environments in Scotland: wind‐blown sands (Bay of Skaill, Orkney), clay (Chesterhall Parks Farm, Lanarkshire) and glacial drift deposits (Forteviot, Perthshire). The results presented here are part of the first research project that systematically tested a combined approach using geophysical and soil characterisation to understand the proxy responses of known archaeological features. First, a range of geophysical techniques [earth resistance, magnetometry, frequency domain electromagnetics (FDEM) and ground‐penetrating radar (GPR)] was employed over archaeological targets. Second, the different geophysical results were considered with respect to soil chemical concentrations (total phosphate and multi‐element analysis), texture, pH, conductivity, organic matter content and magnetic susceptibility from archaeological deposits, topsoil and subsoil samples. This study demonstrates that, by focusing on the responses of single archaeological features and assessing their physical and chemical signatures, soil composition and processes involved in the ‘history’ of buried features are of importance in improving our understanding of the reasons behind their detection with geophysical means. For example, at the cropmark site at Forteviot, chemical transformations can be triggered by organic matter accumulation and increased water retention within prehistoric ditch deposits and can have an effect on the type of magnetic contrast. In addition, chemical concentrations revealing anthropogenic organic materials can explain the enhanced conductivity of theoretically impervious features, as illustrated at the Bay of Skaill site. The study also provide insights into how a particular soil environment may affect different geophysical techniques such as the masking effects of heterogeneous glacial drift deposits or deep windblown sands. These types of survey environments characterise many archaeologically rich areas in Scotland, where integrated strategies, such as the one used in this investigation, are the best option to maximise detection of subsurface features and provide confident and augmented interpretations.
Große Stabdurchmesser und hohe Bewehrungsgrade
Authors: Breit Felix , Schnell Jürgen 
Published: October 2018

AbstractBewehrungsstäbe mit großen Stabdurchmessern werden vorwiegend in hochbeanspruchten Stahlbetonkonstruktionen wie z. B. in Stützen, Behältern und dicken Bodenplatten eingesetzt. Solche oft hochbewehrten Bauteile können durch die Verwendung großer Stabdurchmesser in baupraktischer Hinsicht optimiert hergestellt werden (reduzierter Verlegeaufwand, vereinfachter Betoneinbau). Außerdem können bereits in der Tragwerksplanung statisch‐konstruktive Vorteile wie z. B. größere statische Nutzhöhen und höhere Bewehrungsgrade ausgenutzt werden. Die derzeit eingeführten Bemessungs‐ und Konstruktionsregeln in [1, 2] geben jedoch diverse Zusatzregeln vor, deren Einhaltung die wirtschaftlichen Vorteile der großen Stabdurchmesser beschneiden.Systematische Untersuchungen zum Rissverhalten von Stahlbetonkonstruktionen mit großen Stabdurchmessern wurden erstmals in einem Verbundforschungsvorhaben [3] durchgeführt, an welchem die RWTH Aachen, die Technische Universität Kaiserslautern und die Technische Universität Braunschweig mitwirkten. Die Ergebnisse dieser grundlegenden Untersuchungen sind u. a. auch in [4–6] veröffentlicht.Ungeklärt ist jedoch weiterhin, inwieweit die derzeit gültigen Bemessungsregeln im Rahmen der Rissbreitenbeschränkung für plattenartige Bauteile mit kreuzweise verlegten großen Stabdurchmessern zutreffend angewendet werden können. Aber auch bei baupraktisch üblichen Stabdurchmessern (z. B. ∅ 20 mm und ∅ 28 mm) stellt sich die Frage, ob die auftretenden Rissbreiten bei mehrlagiger Bewehrungsanordnung mit bekanntem Regelwerk zielführend begrenzt werden können.Vor diesem Hintergrund wurden weitere, umfangreiche experimentelle Untersuchungen durchgeführt, welche u. a. in [7–9] veröffentlicht sind.
Study on bioequivalence of beraprost in healthy volunteers by liquid chromatography with tandem mass spectrometry
Authors: Prasaja Budi , Harahap Yahdiana , Lusthom Windy , Sofiana Anna , Safira Falah , Sandra Monika , Puspanegara Girinanda 
Published: October 2018

AbstractBeraprost sodium is an oral prostacyclin analog that was first approved in 1992 (Japan) for the treatment of peripheral vascular disorders. It is administered orally as a tablet available in strength 20 μg. In this paper, we described a liquid chromatography tandem mass spectrometry method that was developed for the quantification of beraprost in human plasma with high sensitivity at picogram per milliliter concentration. The method had been validated in terms of selectivity, sensitivity, accuracy and precision, matrix effect, linearity, recovery and carry‐over according to the Guideline on Bioanalytical Validation from the European Medicines Agency. The standard calibration curve for beraprost was 9.5–1419 pg/mL. This method has been applied successfully to a bioequivalence study with 60 μg of beraprost (three tablets) in 29 healthy volunteers. The results showed that the two formulations of beraprost are bioequivalent.
An update and expansion on the role of the Violence Risk Appraisal Guide and Historical Clinical Risk Management‐20 in United States case law
Authors: Cox Jennifer , Fairfax‐Columbo Jaymes , DeMatteo David , Vitacco Michael J. , Kopkin Megan R. , Parrott Caroline Titcomb , Bownes Elizabeth 
Published: October 2018

AbstractAn individual's risk for future violent behavior may be considered in various legal contexts, including civil commitment, criminal sentencing, or suitability for parole. Among the assessment tools forensic evaluators use to assess violence risk are the Violence Risk Appraisal Guide (VRAG; Quinsey, Harris, Rice, & Cormier, ) and the Historical Clinical Risk Managment‐20 (HCR‐20)/Historical Clinical Risk Management‐20, Version 3 (HCR‐20V3) (Webster, Douglas, Eaves, & Hart, and Douglas, Hart, Webster, & Belfrage, , respectively). Previous surveys and case law research suggest that these measures are widely used and perceived to be useful in aiding forensic clinicians. This study provides an update to Vitacco, Erickson, Kurus, and Apple () and examines the use of the HCR‐20 and VRAG in United States case law. A LexisNexis review revealed 134 cases decided between 1 January 2010 and 21 December 2016 that included the HCR‐20, VRAG, or both. Results revealed that these measures are typically introduced by the prosecution to inform opinions regarding general violence risk. In addition, consistent with previous research, these data suggest the introduction of the HCR‐20 and VRAG is rarely challenged and, when challenged, these challenges are rarely successful. However, data suggest that courts and parole boards may focus on specific risk factors (e.g., lack of insight) at the expense of other, more objective factors. Finally, we offer suggestions for clinicians who have transitioned to the newest version of the HCR‐20.
In Vitro and in Vivo Antischistosomal Activities of Chalcones
Authors: Pereira Vinícius R. D. , Junior Ismael J. Alves , da Silveira Lígia S. , Geraldo Reinaldo B. , de F. Pinto Priscila , Teixeira Fernanda S. , Salvadori Maria C. , Silva Marcos P. , Alves Lara A. , Capriles Priscila V. S. Z. , das C. Almeida Ayla , Coimbra Elaine S. , Pinto Pedro L. S. , Couri Mara R. C. , de Moraes Josué , Da Silva Filho Ademar A. 
Published: October 2018

AbstractIn this study, we evaluated the in vitro and in vivo schistosomicidal activities of chalcones against Schistosoma mansoni worms. In vitro assays revealed that chalcones 1 and 3 were the most active compounds, without affecting significantly mammalian cells. Confocal laser scanning microscopy and scanning electron microscopy studies revealed reduction on the numbers of tubercles and morphological alterations in the tegument of S. mansoni worms after in vitro incubation with chalcones 1 and 3. In a mouse model of schistosomiasis, the oral treatment (400 mg/kg) with chalcone 1 or 3 significantly caused a total worm burden reduction in mice. Chalcone 1 showed significant inhibition of the S. mansoni ATP diphosphohydrolase activity, which was corroborated by molecular docking studies. The results suggested that chalcones could be explored as lead compounds with antischistosomal properties.
Epoxy Isonitriles, A Unique Class of Antibiotics: Synthesis of Their Metabolites and Biological Investigations
Authors: Ernouf Guillaume , Wilt Ingrid K. , Zahim Sara , Wuest William M. 
Published: October 2018

AbstractEpoxy isonitrile containing natural products often possess specific and potent antibacterial activity against Gram‐positive pathogens. This scaffold, however, is extremely labile under acidic and basic conditions, undergoing a Payne rearrangement to produce a stable epoxy ketone metabolite and releasing hydrogen cyanide. We synthesized and performed biological assays with epoxy ketone containing metabolites and identified that the epoxy isonitrile moiety is pertinent for biological activity. Serendipitously, we discovered an α,β‐unsaturated epoxy ketone analogue that exhibited moderate activity against Staphylococcus aureus.
Ultrathin Nanosheet Ni‐Metal Organic Framework Assemblies for High‐Efficiency Ascorbic Acid Electrocatalysis
Authors: Li Qing , Zheng Shasha , Hu Xiao , Shao Zhifang , Zheng Mingbo , Pang Huan 
Published: October 2018

AbstractOwing to their unique porous structure, metal‐organic framework (MOF) nanosheets are considered one of the best active materials for high‐performance electrocatalysts. Ultrathin nanosheet Ni−MOF assemblies, [Ni3(OH)2(C8H4O4)2(H2O)4] ⋅ 2H2O, were synthesized by using a simple solvothermal method and used for efficiently catalyzing ascorbic acid (AA) in a common phosphate buffer solution (PBS, pH=7.2). Electrochemical data analysis revealed good catalytic activity performance and outstanding stability for the AA oxidation reaction. The reason for analyzing its intrinsic may depend on the structure of the ultrathin nanosheet. This structure not only provides a pathway for improving electrocatalytic performance, but its special aggregation state also makes it more stable in electrocatalytic AA.
Sample and feature augmentation strategies for calibration updating
Authors: Andries Erik , Kalivas John H. , Gurung Anit 
Published: October 2018

AbstractCalibration updating—transfer and/or maintenance—has historically been implemented using a simple but effective technique: in addition to primary samples, include a small number of secondary samples and weight them. It would be beneficial if these classical weighting techniques could be enhanced. Moreover, it would be ideal if we could only use secondary spectra without reference measurements. In this paper, we examine multiple calibration updating scenarios involving unlabeled and labeled secondary spectra. First, we propose three new updating approaches involving sample augmentation whereby unlabeled secondary spectra are used to construct an “undesirable” subspace. This subspace is then used to steer the model vector away from a spectroscopically undesirable solution. Second, we propose two new feature augmentation approaches using labeled secondary samples. These three approaches involves the sum of two model vectors, a dedicated primary model vector plus a perturbation vector, that can accommodate new secondary samples. We rigorously vet the proposed approaches across two near‐infrared (NIR) data sets and across multiple data splits. Out of all of the approaches examined, one feature augmentation approach provides improved results compared with existing approaches, and one sample augmentation approach utilizing only unlabeled secondary spectra appears promising.
A Versatile New Paradigm for the Design of Optical Nanosensors Based on Enzyme‐Mediated Detachment of Labeled Reporters: The Example of Urea Detection
Authors: Llopis‐Lorente Antoni , Villalonga Reynaldo , Marcos M. Dolores , Martínez‐Máñez Ramón , Sancenón Félix 
Published: October 2018

AbstractHere, a new bio‐inspired nanoarchitectonics approach for the design of optical probes is presented. It is based on nanodevices that combine 1) an enzymatic receptor subunit, 2) a signaling subunit (consisting of a labeled reporter attached to a silica surface), and 3) a mechanism of communication between the two sites based on the production of chemical messengers by the enzymatic subunit, which induces the detachment of the reporter molecules from the silica surface. As a proof of concept, a urea nanosensor based on the release of Alexa‐Fluor‐647‐labeled oligonucleotide from enzyme‐functionalized Janus gold–mesoporous‐silica nanoparticles (Au–MSNPs) was developed. The Janus particles were functionalized on the silica face with amino groups to which the labeled oligonucleotides were attached by electrostatic interactions, whereas the gold face was used for grafting urease enzymes. The nanodevice was able to release the fluorescent oligonucleotide through the enzyme‐mediated hydrolysis of urea to ammonia and the subsequent deprotonation of amino groups on the silica face. This simple nanodevice was applied for the fluorometric detection of urea in real human blood samples and for the identification of adulterated milk. Given the large variety of enzymes and reporter species that could be combined, this is a general new paradigm that could be applied to the design of a number of optical probes for the detection of target analytes.
Shell Cross‐Linked Micelles as Nanoreactors for Enantioselective Three‐Step Tandem Catalysis
Authors: Kuepfert Michael , Cohen Aaron E. , Cullen Olivia , Weck Marcus 
Published: October 2018

AbstractFunctionalized amphiphilic poly(2‐oxazoline)‐based triblock copolymers that assemble into shell cross‐linked micelles (SCMs) are described. These micelles permit the site isolation of three incompatible catalysts through compartmentalization, thereby enabling three‐step non‐orthogonal tandem processes in one pot. In particular, the acid‐catalyzed ketal hydrolysis to prochiral ketones proceeded in the hydrophilic corona, followed by the Rh‐catalyzed asymmetric transfer hydrogenation to enantio‐enriched alcohols in the cross‐linked shell, and nucleophilic base‐catalyzed acylation in the hydrophobic core. The catalysts are positioned in close proximity on a single micelle support to take advantage of the intramicellar substrate diffusion, yet they are sufficiently spaced apart from each other in physically distinct microenvironments. These compartmentalized micelles are substrate selective and, on a basic level, mimic compartmentalized catalytic architectures found in nature.
Eisen‐Chrom‐Redox‐Flow‐Batterie für Schülerversuche
Authors: le Plat Dennis , Henkel Rouven , Hickmann Thorsten , Tuckermann Rudolf 
Published: October 2018

AbstractIn dieser Arbeit wird eine Reihe von Schülerexperimenten zu Redox‐Flow‐Batterien vorgestellt, bei denen die SchülerInnen sich selbstständig mit den Vorteilen und Herausforderungen dieser innovativen Energiewandler auseinandersetzen. Dazu wurde zunächst eine Eisen‐Chrom‐Redox‐Flow‐Batterie aufgebaut und charakterisiert. Anschließend wurde eine vierteilige Experimentreihe entwickelt, in der sich Schüler und Schülerinnen in einzelnen Stationen intensiv mit dem Aufbau der Zelle, der Charakterisierung dieser, sowie der Färbung der Elektrolyten und der Herausforderung des Crossovers befassen. Zur Durchführung der einzelnen Stationen werden zusätzliche Konzepte, wie Ersatzschaltbilder, Spektralphotometrie und Diffusion vermittelt. Die Schüler, die die Reihe getestet haben, begrüßten das eigenständige Arbeiten und die Verzahnung der einzelnen Stationen untereinander. Eine anschließende Evaluation zeigte eine Verbesserung des Verständnisses der teilnehmenden SchülerInnen gegenüber einer Vergleichsgruppe.
Parental distress and desire for information regarding long‐term implications of pediatric cancer treatment
Authors: Greenzang Katie A. , Cronin Angel M. , Kang Tammy I. , Mack Jennifer W. 
Published: October 2018

AbstractBackgroundParents of children with cancer have unmet information needs regarding future limitations resulting from cancer or its treatment. Prior research has demonstrated that, in early care discussions, clinicians focus on the acute effects of therapy rather than long‐term limitations, partly due to worries of causing distress. The validity of concerns regarding distress is unknown. In the current study, the authors evaluated parental distress associated with information regarding future limitations, and the extent to which distress is associated with information preferences.MethodsThe authors surveyed 355 parents of children with cancer within 3 months of diagnosis, and the children’s physicians at Dana‐Farber Cancer Institute/Boston Children’s Cancer and Blood Disorders Center and the Children’s Hospital of Philadelphia. The primary outcome was parental distress associated with information regarding long‐term limitations.ResultsApproximately 46% of parents found information regarding future limitations to be extremely or very upsetting. In multivariate analysis, parents were more likely to consider information regarding future limitations distressing if they also found prognostic information upsetting (odds ratio [OR], 5.36; P<.001), struggled to accept their child’s illness (OR, 2.57; P<.001), or had depression (OR, 1.79; P=.01). However, approximately 92% of parents considered information regarding potential future limitations to be extremely/very important. Those who found information regarding future limitations distressing were more likely to consider it important (96% vs 89%; P=.03) and to desire a precise understanding of their child’s risks (92% vs 80%; P=.001).ConclusionsAlthough information regarding future limitations caused by cancer treatment is upsetting to many parents, the majority of them desire this information, and those who are distressed are more likely to value this information.
Improving energy efficiency in LTE‐A networks with the reduction of failure rate in eNB components
Authors: Bhuvaneswari P. , Nithyanandan L. 
Published: October 2018

SummarySmall cell networks provide optimistic and realistic way to meet the growth of increasing demand for higher rates of services in wireless networks. Energy efficiency (EE) is a high‐priority design parameter in a long‐term evolution‐advanced (LTE‐A) network. Generally, LTE‐A base stations are referred to as evolved Node B (eNB). To improve EE with small cell deployment, one way is to switch off some of the eNB components while the difficulty is to control the failure rate activated by fatigue processes of eNB subjected to Discontinuous Transmission mode (DTX). Specifically, if the time spent in DTX modes increases, then the failure rate of eNB decreases. Despite the variation of power states turned to enlarge the failure rate of eNB. The objective is to deal the difficulty of reducing the LTE‐A eNB failure rate subject to DTX mode and the new algorithm named AFEE (Acceleration Factor and Energy efficiency) is proposed and energy analysis is performed and numerical results are given. Specifically, the proposed algorithm is strong enough to attain power saving nearly of 55%.
Novel Rapid Screening of Basic Immobilized Amine Sorbent/Catalyst Water Stability by a UV/Vis/Cu2+ Technique
Authors: Wilfong Walter Christopher , Kail Brian W. , Wang Qiuming , Gray McMahan L. 
Published: October 2018

AbstractTime‐consuming thermogravimetric analysis (TGA) decomposition study is a typical practice to assess the stability of fresh and water‐treated basic immobilized amine sorbents (BIAS)/catalysts. This work presents a faster and more precise spectroscopic UV/Vis/Cu2+ sorbent screening technique that quantifies aqueous amines washed from the BIAS by using UV‐active amine/Cu2+ complexes. Six BIAS‐based catalysts, containing different amine species and a crosslinker within silica, were treated with ultrapure water and then analyzed for their CO2 capture performance and amine leach resistance/stability by using TGA (catalysts, approximately 4 h) and UV/Vis/Cu2+ techniques (wash solution, few minutes). A comparative analysis revealed that directly quantifying washed amines with UV/Vis/Cu2+ is 9–127 times more precise than indirect testing of the sorbents by TGA. Similar trends in the H2O stability profiles of the catalysts [organic content retained values (OCR)] were reported by both analysis methods, allowing UV/Vis/Cu2+ to replace TGA for quantifying unstable leached amines. The UV/Vis/Cu2+ OCR results could be used to predict the CO2‐capture stability profile of the sorbents, confirming the reliability of this technique to rapidly screen catalyst stability and performance.
The anatomy of single cell mass cytometry data
Authors: Olsen Lars R. , Leipold Michael D. , Pedersen Christina B. , Maecker Holden Terry 
Published: October 2018

AbstractMass cytometry enables the measurement of up to 50 features on single cell. This has catalyzed a shift toward multidimensional data analysis methods, rather than the manual gating strategies as traditionally for in flow cytometry data. This shift means that data scientists are involved in the analysis process to an increasing degree. As the data is analyzed in a more unbiased fashion, where noisy or uninformative observations are not easily excluded, a deeper knowledge of the origin, noise, and modalities of the data is therefore needed to embark on useful data analysis. In this primer, we introduce the idiosyncrasies of mass cytometry data with a focus on the technical properties of how data generated with the CyTOF® system, and the characteristics of protein expression in the cells of the hematopoietic continuum, specifically targeted toward data scientists. We also provide a comprehensive online repository of scripts, tutorials, and example data. © 2018 International Society for Advancement of Cytometry