bluuebunny/crossref_metadata_2025_split huggingface dataset:
Domino Staudinger/aza‐Wittig/Mannich Reaction: An Approach to Diversity of Di‐ and Tetrahydropyrrole Scaffolds
Authors: Pavlova Anna S. , Ivanova Olga A. , Chagarovskiy Alexey O. , Stebunov Nikolay S. , Orlov Nikolay V. , Shumsky Alexey N. , Budynina Ekaterina M. , Rybakov Victor B. , Trushkov Igor V. 
Published: September 2016

AbstractA highly efficient and selective domino reaction producing valuable di‐ and tetrahydropyrrole‐based skeletons from azidoethyl‐substituted CH‐acids and (thio)carbonyl compounds has been developed. By involving the additional functional groups in starting compounds into the domino reaction or postmodification of the primary reaction products, the simple construction of the pharmaceutically relevant three‐ and polycyclic azaheterocyclic scaffolds was demonstrated.
Nanostructured Hexacyanoferrate Intercalated Ni/Al Layered Double Hydroxide Modified Electrode as a Sensitive Electrochemical Sensor for Paracetamol Determination
Authors: Asadpour‐Zeynali Karim , Amini Roghayeh 
Published: September 2016

AbstractAn electrochemical sensor for paracetamol (PC) based on the hexacyanoferate(III) intercalated Ni−Al layered double hydroxide (Ni−Al−HCF) was presented. The as‐prepared LDH structurally and morphologically was characterized by scanning electron microscopy, X‐ray diffraction, and Fourier transform IR. Electrochemical studies revealed that Ni−Al−HCF film modified glassy carbon (GC) electrode exhibited remarkable electrocatalytic activity toward the oxidation of paracetamol. The electrochemical behavior of PC on the Ni−Al−HCF film was investigated in detail. Under optimum experimental conditions, the electrocatalytic response of the modified GC electrode was linear in the PC concentration range 3×10−6−–1.5×10−3 mol L−1, with a detection limit of 8×10−7 mol L−1 (S/N=3), using hydrodynamic amperometry. In addition, the modified electrode exhibited good reproducibility, long‐term stability and anti‐interference property. The fabricated sensor was successfully applied to determination of PC in various pharmaceutical preparations such as tablets, oral solution, and oral drops. Finally, the method was validated by the analysis of paracetamol spiked human serum samples, and good recoveries were obtained in the range of 99.2–103 %.
Trace level determination of Δ9‐tetrahydrocannabinol in a perfume using liquid chromatography high resolution tandem mass spectrometry and gas chromatography mass spectrometry
Authors: Thalhamer Bernhard , Himmelsbach Markus , Buchberger Wolfgang 
Published: September 2016

AbstractΔ9‐tetrahydrocannabinol (Δ9‐THC), which is the primary psychoactive ingredient in marijuana, was identified at trace levels in a perfume whose name/brand and its scent aim to arouse associations with marijuana/hashish. The presence of Δ9‐THC was unambiguously confirmed by high performance liquid chromatography (HPLC) coupled with Orbitrap high resolution mass spectrometric detection. The relevant HPLC peak of the analysed perfume shows identical chromatographic behaviour and mass spectrometric fragmentation compared to an authentic reference material of Δ9‐THC. Electrospray ionization was performed in the positive mode, fragmentation was carried out by both collision‐​induced dissociation and higher‐energy collisional dissociation. The quantitation of Δ9‐THC in the complex perfume matrix was performed by HPLC combined with a triple quadrupole mass spectrometer (HPLC‐MS/MS) in the multiple reaction monitoring mode. Calibration by the standard addition method yielded a concentration of 0.2 µg Δ9‐THC per ml perfume. Additionally gas chromatography mass spectrometry was also used to confirm the results for Δ9‐THC. It is based on a fundamentally different separation principle and results were in good agreement with HPLC‐MS/MS, which proved the reliability of the analysis. Copyright © 2016 John Wiley & Sons, Ltd.
Carbon, nitrogen, and water stable isotopes in plant tissue and soils across a moisture gradient in Puerto Rico
Authors: Evaristo Jaivime , McDonnell Jeff J. 
Published: September 2016

AbstractStable isotopes in the water molecule (2H or D and 18O), carbon, and nitrogen are useful tracers and integrators of processes in plant ecohydrological systems across scales. Over the last few years, there has been growing interest in regional to continental scale synthesis of stable isotope data with a view to elucidating biogeochemical and ecohydrological patterns. Published datasets from the humid tropics, however, are limited. To be able to contribute to bridging the “data gap” in the humid tropics, here, we publish a relatively novel and unique suite of δ13C, δ15N, δ2H, and δ18O isotope data from three sites across a moisture gradient and contrasting land use in Puerto Rico. Plant tissue (xylem and leaf) samples from two species of mahogany (Swietenia macrophylla and Swietenia mahagoni) and soil samples down to 60 cm in the soil profile were collected in relatively “wet” (July 2012) and “dry” (February 2013) periods at two sites in northeastern (Luquillo) and southwestern (Susua) Puerto Rico. The same sampling suite is also being made available from a highly urbanized site in the capital San Juan. Leaf samples taken in July 2012 and February 2013 were analyzed for δ13C and δ15N; all xylem and bulk soil samples were analyzed for δ2H and δ18O. Soil samples taken in July 2012 were analyzed for δ13C and δ15N. Leaf δ15N and δ13C dataset showed patterns that are possibly associated with site differences. While spatial patterns were also apparent in soil δ15N and δ13C dataset, the positively linear δ15N –δ13C relationship tends to weaken with site moisture. Soil depth and site moisture patterns were also observed in the δ2H and δ18O datasets of bulk soil and xylem samples. The purpose of these datasets is to provide baseline information on soil–plant water (δ2H and δ18O, N = 319), δ13C (N = 272), and δ15N (N = 269) that may be useful in a wide range of research questions from ecohydrological relations to biogeochemical patterns in soils and vegetation.
Effect of feeder free poly(lactide‐co‐glycolide) scaffolds on morphology, proliferation, and pluripotency of mouse embryonic stem cells
Authors: Galuppo Andrea G. , Chagastelles Pedro C. , Gamba Douglas , Iglesias Daikelly B. , Sperling Laura E. , Machado Janine , Petry Jéssica F. T. C. , Wendorff Joachim , Petzhold Cesar L. , Pranke Patricia 
Published: September 2016

AbstractThe aim of the study has been to evaluate the morphology, proliferation, and pluripotency maintenance of mouse embryonic stem cells (mESCs) cultivated on poly(lactic‐co‐glycolic acid) scaffolds. The scaffolds were hydrolyzed with NaOH (treated) and nonhydrolyzed (untreated). Morphological and mechanical characterization of the scaffolds was performed. mESC were evaluated for cell viability, cytotoxicity, expression of pluripotency markers, colony morphology, and overall distribution. The treatment generated a reduction in the hydrophobic characteristics of the scaffolds, leading to a higher wettability compared to the untreated group. The viability, cytotoxicity, number of colonies, and the thickness of the cell layer presented similar results between the scaffold groups. The viability test showed that it was possible to cultivate the mESCs on the scaffolds. The cytotoxicity analysis showed that the PLGA scaffolds were not harmful for the cells. The cells maintained the expression of the pluripotency markers Oct4 and Sox2. The number of colonies and the thickness of the cell layer on the scaffold showed that they were not able to colonize the entire volume of the scaffolds. The area occupied by the mESCs was the same between the treated and untreated groups after 14 days in culture. It is possible to conclude that both conditions are equally suitable for maintaining mESC culture. © 2016 Wiley Periodicals, Inc. J Biomed Mater Res Part A: 105A: 424–432, 2017.
Comparison of laparoscopic major hepatectomy with propensity score matched open cases from the National Clinical Database in Japan
Authors: Takahara Takeshi , Wakabayashi Go , Konno Hiroyuki , Gotoh Mitsukazu , Yamaue Hiroki , Yanaga Katsuhiko , Fujimoto Jirou , Kaneko Hironori , Unno Michiaki , Endo Itaru , Seto Yasuyuki , Miyata Hiroaki , Miyazaki Masaru , Yamamoto Masakazu 
Published: September 2016

AbstractBackgroundThe National Clinical Database (NCD) in Japan is a nationwide registry that collects the data of more than 1,200,000 surgical cases annually from over 3,500 hospitals. Based on the NCD data, this study compared the perioperative outcomes of major laparoscopic liver resection (LLR) with those of major open liver resection (OLR) using the propensity score matching method.MethodsWe collected data on 15,191 major hepatectomy cases (929 major LLR cases and 14,262 major OLR cases), and investigated the short‐term outcomes in well‐matched groups.ResultsIn the LLR group, 30‐day mortality, in‐hospital mortality, and operative mortality were 0.9%, 1.7%, and 1.7% respectively. The mean blood loss in the LLR group (865.4 ± 1,148.2 ml) was significantly less than in the OLR group (1,053.8 ± 1,176.6 ml), and the median postoperative hospital stay for the LLR patients (21.37 ± 19.71 days) was significantly shorter than for the OLR patients (26.25 ± 24.53 days). The complication rate in the LLR group (16.4%) was significantly lower than that in the OLR group (23.5%).ConclusionLLR in selected patients is currently safely performed as well as OLR even in patients requiring major hepatectomy, associated with less blood loss, shorter hospital stays, and fewer complications.
Anwendung des Örtlichen Konzepts in der Turbinenschaufelauslegung
Authors: Dankert M. , Richter C. 
Published: September 2016

Die Anforderungen an große Kraftwerksturbinen (Gas‐ und Dampfturbinen) sind im Zusammenhang mit der Energiewende in den letzten Jahren signifikant gestiegen. Durch die wachsende Einspeisung von Strom aus erneuerbaren Energien wie Wind und Sonne gewinnt die Erhöhung der Flexibilität im Kraftwerksbetrieb immer mehr an Bedeutung. Dafür müssen zuverlässige und robuste Turbinen entwickelt werden. Turbinenschaufeln sind eine der Schlüsselkomponenten einer Turbine und ein entscheidender Erfolgsfaktor, um die aktuellen und zukünftigen Markt‐ und Kundenanforderungen zu erfüllen und die damit verbundenen Herausforderungen zu meistern.Die Auslegung von Turbinenschaufeln ist komplex. Turbinenschaufeln sind im Betrieb häufig extremen, hohen sowie komplexen mechanischen und thermischen Belastungen ausgesetzt. Diese mechanischen und thermischen Betriebsbelastungen führen zu hohen Bauteilbeanspruchungen und häufig zu einem Ermüdungs‐ und/oder Kriechlebensdauerverbrauch. Hersteller großer Kraftwerksturbinen können ihre Turbinen und deren Komponenten in den allermeisten Fällen nicht im Vorfeld auf Prüfständen testen. Außerdem können Fehler in der Auslegung der Komponenten zu deren Versagen im Betrieb und damit zumindest zu erheblichen wirtschaftlichen Schäden führen. Aus diesen Gründen und vor dem Hintergrund der zunehmend flexibleren Fahrweise von Kraftwerken und der damit verbundenen höheren Anzahl an Lastwechseln sind für die Entwicklung und Auslegung von Turbinenschaufeln sowie deren Lebensdauervorhersage geeignete, zuverlässige und abgesicherte Berechnungs‐ und Bewertungskonzepte sowie Regeln unerlässlich, um den sicheren Betrieb der Turbinenschaufeln zu ermöglichen. Dies gilt insbesondere für die genaue Beschreibung des Ermüdungsverhaltens unter Betriebsbelastung.Der vorliegende Artikel beschäftigt sich mit den hier verwendeten Konzepten zur Lebensdauervorhersage und zum Betriebsfestigkeitsnachweis von Gas‐ und Dampfturbinenschaufeln.
Automatic adaptivity in the fully nonlocal quasicontinuum method for coarse‐grained atomistic simulations
Authors: Tembhekar I. , Amelang J. S. , Munk L. , Kochmann D. M. 
Published: September 2016

SummaryThe quasicontinuum (QC) method is a concurrent scale‐bridging technique that extends atomistic accuracy to significantly larger length scales by reducing the full atomic ensemble to a small set of representative atoms and using interpolation to recover the motion of all lattice sites where full atomistic resolution is not necessary. While traditional QC methods thereby create interfaces between fully resolved and coarse‐grained regions, the recently introduced fully nonlocal QC framework does not fundamentally differentiate between atomistic and coarsened domains. Adding adaptive refinement enables us to tie atomistic resolution to evolving regions of interest such as moving defects. However, model adaptivity is challenging because large particle motion is described based on a reference mesh (even in the atomistic regions). Unlike in the context of, for example, finite element meshes, adaptivity here requires that (i) all vertices lie on a discrete point set (the atomic lattice), (ii) model refinement is performed locally and provides sufficient mesh quality, and (iii) Verlet neighborhood updates in the atomistic domain are performed against a Lagrangian mesh. With the suite of adaptivity tools outlined here, the nonlocal QC method is shown to bridge across scales from atomistics to the continuum in a truly seamless fashion, as illustrated for nanoindentation and void growth. Copyright © 2016 John Wiley & Sons, Ltd.
Number of Unfavorable Intermediate‐Risk Factors Predicts Pathologic Upstaging and Prostate Cancer‐Specific Mortality Following Radical Prostatectomy: Results From the SEARCH Database
Authors: Zumsteg Zachary S. , Chen Zinan , Howard Lauren E. , Amling Christopher L. , Aronson William J. , Cooperberg Matthew R. , Kane Christopher J. , Terris Martha K. , Spratt Daniel E. , Sandler Howard M. , Freedland Stephen J. 
Published: September 2016

BACKGROUNDTo validate and further improve the stratification of intermediate risk prostate cancer into favorable and unfavorable subgroups for patients undergoing radical prostatectomy.MATERIALS AND METHODSThe SEARCH database was queried for IR patients undergoing radical prostatectomy without adjuvant radiotherapy. UIR disease was defined any patient with at least one unfavorable risk factor (URF), including primary Gleason pattern 4, 50% of more biopsy cores containing cancer, or multiple National Comprehensive Cancer Network IR factors.RESULTSOne thousand five hundred eighty‐six patients with IR prostate cancer comprised the study cohort. Median follow‐up was 62 months. Patients classified as UIR were significantly more likely to have pathologic high‐risk features, such as Gleason score 8 − 10, pT3–4 disease, or lymph node metastases, than FIR patients (P < 0.001). Furthermore, UIR patients had significantly higher rates of PSA‐relapse (PSA, hazard ratio [HR] = 1.89, P < 0.001) and distant metastasis (DM, HR = 2.92, P = 0.001), but no difference in prostate cancer‐specific mortality (PCSM) or all‐cause mortality in multivariable analysis. On secondary analysis, patients with ≥2 URF had significantly worse PSA‐RFS, DM, and PCSM than those with 0 or 1 URF. Moreover, 40% of patients with ≥2 URF had high‐risk pathologic features.CONCLUSIONSPatients with UIR prostate cancer are at increased risk of PSA relapse, DM, and pathologic upstaging following prostatectomy. However, increased risk of PCSM was only detected in those with ≥2 URF. This suggests that further refinement of the UIR subgroup may improve risk stratification. Prostate Prostate 77:154–163, 2017. © 2016 Wiley Periodicals, Inc.
Factors Influencing Movements of Two Migratory Fishes within the Tailrace of a Large Neotropical Dam and their Implications for Hydropower Impacts
Authors: Suzuki F. M. , Dunham J. B. , Silva L. G. M. , Alves C. B. M. , Pompeu P. S. 
Published: September 2016

AbstractFish attempting to move upstream through hydroelectric dams can be trapped and killed in turbines. Understanding fish movement patterns can provide useful insights for how to manage dam operations to minimize fish kill in turbines. We evaluated the movements of two migratory fish (Curimba—Prochilodus argenteus and Mandi—Pimelodus maculatus) using acoustic telemetry in the tailrace of Três Marias Dam (São Francisco River, Brazil) from 31 October 2011 to 16 February 2012. The majority of tagged fish left the tailrace in less than one week; however, some individuals returned, performing several visits to the tailrace. Mandi remained longer in the tailrace than Curimba. The number of visits was influenced by diel period, turbine and spillway discharge. Although the diel period was the only important contributor to the visits performed by Curimba, the movements of Mandi were significantly influenced by three factors. We found that whereas Curimba was predominantly diurnal, Mandi showed nocturnal habits. Additionally, visits of Mandi were significantly greater during higher turbine and spillway discharge. We discuss the implications of these results for understanding fish movements in the Três Marias Dam tailrace and their potential implications for adapting hydroelectric operations to minimize fish kills. Copyright © 2016 John Wiley & Sons, Ltd.
Synthesis of Three Novel Polyoxometalate–based Helical Hybrids from Simple to Complicated Helixes via Turing Metal Salt
Authors: Sun Wenlong , Zhang Chunjing , Pang Haijun , Ma Huiyuan , Zhang Zhuanfang , Wang Mo 
Published: September 2016

AbstractThree novel helical compounds, [Ag3(H2O)2(btpe)2](HMo8O26)⋅2H2O (1), [Cu3(btpe)4(ac)2](Mo8O26) (2), and [Co(btpe)2]2(Mo8O26) (3) (btpe=1,5‐bis(1,2,4‐triazol‐1‐yl)pentane and ac=acetate) have been synthesized under the same hydrothermal conditions. Structural characterizations by single‐crystal X‐ray diffraction show that compounds 1 and 2 possess a pair of the right‐ and left‐handed double helixes with communal entanglement nodes, whereas compound 3 represents the first example of POM‐based double helical compound that consists of three pair of the right‐ and left‐handed double helixes, containing two pairs of the right‐ and left‐handed double helixes with communal entanglement nodes and a pair of the right‐ and left‐handed double helixes without entanglement nodes. Also, the photocatalytic experiment indicates that the title compounds present a good degradation activity and may be potential photocatalysts to decompose the Methylene Blue dye.
Free‐Standing Graphene/Conducting Polymer Hybrid Cathodes as FTO and Pt‐Free Electrode for Quasi‐State Dye Sensitized Solar Cells
Authors: Ramalingam Karthick , Panchu SarojiniJeeva , Salunke Ashish Shivaji , Muthukumar Kamalambika , Ramanujam Ashwin , Muthiah Selvaraj 
Published: September 2016

AbstractHighly conducting freestanding graphene (FSG) was synthesized by the simple vacuum filtration method and utilized as a cathode current collector for (fluorine doped tin oxide) FTO free quasi‐dye sensitized solar cell (q‐DSSC). Subsequently,conducting polymers (CPs) viz., polyaniline (PANI) and poly(3,4‐ethylene‐di‐oxythiophene) (PEDOT) was decorated on FSG surface by electrochemical polymerization which acts as a electrocatalytst for Pt free q‐DSSC. Entirely, the FSG/CPs affords as a novel cathode architecture for FTO/Pt free electrode for q‐DSSCs. Remarkably, the FSG paper electrode exhibits lower sheet resistance (9‐11 Ω sq‐1) than the FTO which was directly utilized as current collector. Interestingly, the FSG/CPs based cathode shows an improved electro‐catalytic behaviour towards tri‐iodide reduction and in particularly, the photovoltaic performance of FSG/PEDOT shows power conversion efficiency (PCE) of 5.4 % compared with Pt/FTO of 5.1 %. It can be stated that synergetic effect of FSG/PEDOT proves to be a cost effective and efficientsubstitute for cathodes in q‐DSSC.
Fabrication of TiO2/CdS/Ag2S Nano‐Heterostructured Photoanode for Enhancing Photoelectrochemical and Photocatalytic Activity under Visible Light
Authors: Kumar Sandeep , Singh Aadesh P , Yadav Nitin , Thirumal Meganathan , Mehta B. R. , Ganguli Ashok K. 
Published: September 2016

AbstractWide optical absorption window, long lived and high charge carrier transfer efficiency are the prime characteristics towards the accomplishment of remarkably efficient photocatalysts. In this context, we have synthesized TiO2/CdS/Ag2S core/shell/shell (CSS) heterostructures by using ion‐exchange method. The photoelectrochemical (PEC) measurements unveiled appreciably increased PEC water splitting performance of the CSS heterostructure (used as photoanodes), as indicated by high photocurrent density of ∼ 7.6 mA/cm2 at 1.0 V versus Ag/AgCl and low photocurrent onset potential of ∼ 0.1 V as compared to pristine TiO2 nanorods. Mott‐Schottky analysis evident the p‐n junction features of heterostructures that strengthen the separation of electron and holes. We have investigated the exciton dynamics with photoluminescence (PL) and time correlated single photon counting (TCSPC) studies. The diminished PL intensity and shorten average lifetime (τavg) in CSS heterostructures is a clear manifestation of suppression of charge carrier recombination as well as efficient charge carrier transfer from CdS (shell) to TiO2 (core). Thus, both factors prolonged and efficient transfer of visible light driven charge carriers led to phenomenal photoactivity of TiO2/CdS/Ag2S based CSS heterostructures towards the degradation of toxic organic pollutants and PEC water oxidation. We anticipate that the architecture of CSS hetrostructures will provide a new paradigm in the realm of photocatalysis.
Transition‐Metal‐Free Direct Synthesis of Tetra‐ and Pentacyclic Azaheteroarenes via [3+3] Annulation of Nitroarenes and Benzyl‐Type Carbanions Mediated by Silylating Agents.
Authors: Nowacki Michał , Wojciechowski Krzysztof 
Published: September 2016

AbstractBenzylic‐type carbanions react with nitroarenes under mild conditions in the presence of DBU and trialkylchlorosilanes to form tetra‐and pentacyclic azaarenes. The reaction proceed via transformation of the σH‐adduct formed from carbanion and nitroarene. Reaction proceed under mild conditions at room temperature and does not require transition‐metal reagents at any stage of the process.
Assessing how habitat loss restricts the geographic range of Neotropical anurans
Authors: Vasconcelos Tiago S. , Doro João Lucas P. 
Published: September 2016

AbstractHabitat loss and fragmentation exert unquestionable negative effects in a wide range of taxa on both regional and local scales. However, there is a debate over whether habitat change impacts geographic species distribution. We assess how habitat loss restricts large‐scale species distribution on a geographic scale for four South American anurans that are known to occur in well conserved habitats, yet which are absent in others that are close by and more degraded. We used occurrence records of each species in Brazil and performed different modeling algorithms to compare ensemble distribution models generated by two different sets of predictors: a climate‐only versus a climate‐habitat procedure. We found that the distribution area predicted by the climate‐only procedure was larger than that of the climate‐habitat procedure for all species. The areas not predicted by the climate‐habitat but predicted by the climate‐only procedure for all species are commonly located in inland areas in southeastern Brazil, which coincides with areas that have suffered the most from habitat loss in the country. Plotting the predictions against well‐surveyed areas where the species have not been recorded, we found evidence that habitat loss may have restricted the current geographic ranges of Hypsiboas faber and Rhinella ornata. Finally, modeling approaches incorporating habitat landscape metrics, particularly for habitat‐specialist species, may be a helpful tool for identifying areas that harbored these species before deforestation took place.