bluuebunny/crossref_metadata_2025_split huggingface dataset:
A Bayesian source model for the 2004 great Sumatra‐Andaman earthquake
Authors: Bletery Quentin , Sladen Anthony , Jiang Junle , Simons Mark 
Published: July 2016

AbstractThe 2004 Mw 9.1–9.3 Sumatra‐Andaman earthquake is one of the largest earthquakes of the modern instrumental era. Despite considerable efforts to analyze this event, the different available observations have proven difficult to reconcile in a single finite‐fault slip model. In particular, the critical near‐field geodetic records contain variable and significant postseismic signal (between 2 weeks' and 2 months' worth), while the satellite altimetry records of the associated tsunami are affected by various sources of uncertainties (e.g., source rupture velocity and mesoscale oceanic currents). In this study, we investigate the quasi‐static slip distribution of the Sumatra‐Andaman earthquake by carefully accounting for the different sources of uncertainties in the joint inversion of available geodetic and tsunami data. To this end, we use nondiagonal covariance matrices reflecting both observational and modeling uncertainties in a fully Bayesian inversion framework. Modeling errors can be particularly large for great earthquakes. Here we consider a layered spherical Earth for the static displacement field, nonhydrostatic equations for the tsunami, and a 3‐D megathrust interface geometry to alleviate some of the potential epistemic uncertainties. The Bayesian framework then enables us to derive families of possible models compatible with the unevenly distributed and sometimes ambiguous measurements. We infer two regions of high fault slip at 3°N–4°N and 7°N–8°N with amplitudes that likely reach values as large as 40 m and possibly larger. These values are a factor of 2 larger than typically found in previous studies—potentially an outcome of commonly assumed forms of regularization. Finally, we find that fault rupture very likely involved shallow slip. Within the resolution provided by the existing data, we cannot rule out the possibility that fault rupture reached the trench.
Mixing and phytoplankton dynamics in a submarine canyon in the West Antarctic Peninsula
Authors: Carvalho Filipa , Kohut Josh , Oliver Matthew J. , Sherrell Robert M. , Schofield Oscar 
Published: July 2016

AbstractBathymetric depressions (canyons) exist along the West Antarctic Peninsula shelf and have been linked with increased phytoplankton biomass and sustained penguin colonies. However, the physical mechanisms driving this enhanced biomass are not well understood. Using a Slocum glider data set with over 25,000 water column profiles, we evaluate the relationship between mixed layer depth (MLD, estimated using the depth of maximum buoyancy frequency) and phytoplankton vertical distribution. We use the glider deployments in the Palmer Deep region to examine seasonal and across canyon variability. Throughout the season, the ML becomes warmer and saltier, as a result of vertical mixing and advection. Shallow ML and increased stratification due to sea ice melt are linked to higher chlorophyll concentrations. Deeper mixed layers, resulting from increased wind forcing, show decreased chlorophyll, suggesting the importance of light in regulating phytoplankton productivity. Spatial variations were found in the canyon head region where local physical water column properties were associated with different biological responses, reinforcing the importance of local canyon circulation in regulating phytoplankton distribution in the region. While the mechanism initially hypothesized to produce the observed increases in phytoplankton over the canyons was the intrusion of warm, nutrient enriched modified Upper Circumpolar Deep Water (mUCDW), our analysis suggests that ML dynamics are key to increased primary production over submarine canyons in the WAP.
Work‐family conflict, lack of time for personal care and leisure, and job strain in migraine: Results of the Brazilian Longitudinal Study of Adult Health (ELSA‐Brasil)
Authors: Griep Rosane Härter , Toivanen Susanna , Santos Itamar S. , Rotenberg Lucia , Juvanhol Leidjaira Lopes , Goulart Alessandra C. , Aquino Estela M. , Benseñor Isabela 
Published: July 2016

BackgroundWork‐family conflict and time scarcity may affect health. We investigated the association between these issues and migraine, taking into account job strain.MethodsBaseline data from ELSA‐Brasil (6,183 women; 5,664 men) included four indicators of work‐family conflict: time‐ and strain‐based interference of work with family (TB‐WFC, SB‐WFC), interference of family with work (FWC) and lack of time for personal care and leisure (LOT). Migraine was classified according to International Headache Society criteria.ResultsAmong women, definite migraine was associated with SB‐WFC (odds ratio [OR] = 1.28; 95% confidence interval [CI] 1.06–1.55), FWC (OR = 1.32; 1.00–1.75), and LOT (OR = 1.30; 1.08–1.58). Probable migraine was associated with SB‐WFC (OR = 1.17; 1.00–1.36). High psychological job demands and low social support interacted with LOT in association with definite migraine. Among men, probable migraine was associated with LOT (OR = 1.34; 1.09–1.64), and there were interactions between job strain and WFC for probable migraine.ConclusionsBalancing the demands of professional and domestic spheres could be highly relevant in the management of migraines. Am. J. Ind. Med. 59:987–1000, 2016. © 2016 Wiley Periodicals, Inc.
Direct Fluoro‐aminosulfenylation of Active Methylenes by Dialkylaminosulfur Trifluorides under Catalyst‐Free Conditions
Authors: Saidalimu Ibrayim , Guo Ming , Tokunaga Etsuko , Shibata Norio 
Published: July 2016

AbstractThe direct fluoro–aminosulfenylation of active methylene compounds by diethylaminosulfur trifluoride (DAST) and its derivatives is disclosed. A variety of α‐fluorinated α‐sulfenamides with a tetrasubstituted carbon center were synthesized from β‐keto esters, malonates, 1,3‐diketones, and dicyanoalkylidenes under mild reaction conditions. This direct fluoro–aminosulfenylation reaction occurs very smoothly under metal‐free and base‐free conditions.
Catalytic Hydrogenation of Aliphatic Nitro Compounds with Polysilane/Bone Charcoal‐Supported Palladium Catalysts under Continuous‐Flow Conditions
Authors: Saito Yuki , Ishitani Haruro , Kobayashi Shū 
Published: July 2016

AbstractHydrogenation of aromatic nitro compounds has been widely studied, however, the catalytic hydrogenation of aliphatic nitro compounds remains a challenging topic. Herein, a polysilane/bone charcoal‐supported Pd catalyst with excellent catalyst activity for the hydrogenation of aliphatic nitro compounds under continuous‐flow conditions is described. The catalyst was synthesized by a simple procedure and analyzed by STEM and energy dispersive X‐ray spectroscopy (EDX) measurements. This polysilane/bone charcoal‐supported Pd catalyst demonstrated higher catalyst activity than conventional Pd/C, and a wide substrate scope including secondary and tertiary nitro compounds was achieved. Furthermore, no catalyst deactivation was observed during 120 h of continuous‐flow reaction without leaching of Pd.
Neue Ziele für die Photopharmakologie
Authors: Lerch Michael M. , Hansen Mickel J. , van Dam Gooitzen M. , Szymanski Wiktor , Feringa Ben L. 
Published: July 2016

AbstractDas Feld der Photopharmakologie nutzt durch Licht schaltbare Moleküle, um Kontrolle über die Wirkung biologisch aktiver Verbindungen zu erlangen. Das Ziel ist es, die systemische Toxizität von Wirkstoffen wie auch die Herausbildung von Resistenzen zu vermindern und gleichzeitig eine extrem hohe Präzision in der Behandlung zu erreichen. Durch die Verwendung niedermolekularer Verbindungen stellt die Photopharmakologie eine valide Alternative zur Optogenetik dar. Wir präsentieren hier einen Überblick über die pharmakologischen Zielstrukturen in verschiedenen Organen sowie über Organsysteme im menschlichen Körper, die auf nicht‐invasive Weise angesteuert werden können. Wir diskutieren die Perspektiven einer selektiven Lichtzuführung zu diesen Organen sowie die spezifischen Anforderungen lichtaktivierbarer Wirkstoffe. Über anwendungsorientierte Aspekte hinaus sind wir bestrebt, die Wirkstofftauglichkeit (“druggability”) pharmazeutischer Zielstrukturen anhand aktueller Ergebnisse zu illustrieren. Ferner wollen wir aufzeigen, an welchen Stellen neue Ansätze erforscht werden müssen, damit die Umsetzung von “intelligentem” Moleküldesign in der Photopharmakologie zur klinischen Anwendung gelingt.
Konstruktionsprinzip niedermolekularer organischer Halbleiter für metallfreie Photokatalyse mit sichtbarem Licht
Authors: Wang Lei , Huang Wei , Li Run , Gehrig Dominik , Blom Paul W. M. , Landfester Katharina , Zhang Kai A. I. 
Published: July 2016

AbstractHier berichten wir über das strukturelle Konstruktionsprinzip niedermolekularer organischer Halbleiter als metallfreie, rein organische Photokatalysatoren, die bei Bestrahlung mit sichtbarem Licht aktiv sind. Dafür wurden zwei Serien von Elektronendonor‐ und Elektronenakzeptor‐basierten niedermolekularen und organischen Halbleitern synthetisiert, um entscheidende Anforderungen zu erfüllen wie: 1) Absorption im sichtbaren Bereich, 2) ausreichendes Photoredoxpotential und 3) lange Lebensdauer der photogenerierten Exzitonen. Die photokatalytische Aktivität wurde anhand der intermolekularen C‐H‐Funktionalisierung von elektronenreichen Heteroarenen mit Malonaten demonstriert. Eine mechanistische Studie über den lichtinduzierten Elektronentransfer zwischen dem organischen Photokatalysator, Substrat und Opferreagenz wurde beschrieben. Mit ihrem einstellbaren Absorptionsbereich und ihrer definierten energetischen Bandstruktur stellen die niedermolekularen organischen Halbleiter eine neue Klasse von metallfreien Photokatalysatoren für organische Reaktionen unter Bestrahlung mit sichtbarem Licht dar.
Improvement of the Water Resistance of a Narrow‐Band Red‐Emitting SrLiAl3N4:Eu2+ Phosphor Synthesized under High Isostatic Pressure through Coating with an Organosilica Layer
Authors: Tsai Yi‐Ting , Nguyen Hoang‐Duy , Lazarowska Agata , Mahlik Sebastian , Grinberg Marek , Liu Ru‐Shi 
Published: July 2016

AbstractA SrLiAl3N4:Eu2+ (SLA) red phosphor prepared through a high‐pressure solid‐state reaction was coated with an organosilica layer with a thickness of 400–600 nm to improve its water resistance. The observed 4f65d→4f7 transition bands are thought to result from the existence of Eu2+ at two different Sr2+ sites. Luminescence spectra at 10 K revealed two zero‐phonon lines at 15377 (for Eu(Sr1)) and 15780 cm−1 (for Eu(Sr2)). The phosphor exhibited stable red emission under high pressure up to 312 kbar. The configurational coordinate diagram gave a theoretical explanation for the Eu2+/3+ result. The coated samples showed excellent moisture resistance while retaining an external quantum efficiency (EQE) of 70 % of their initial EQE after aging for 5 days under harsh conditions. White‐light‐emitting diodes of the SLA red phosphor and a commercial Y3Al5O12:Ce3+ yellow phosphor on a blue InGaN chip showed high color rendition (CRI=89, R9=69) and a low correlated color temperature of 2406 K.
Asymmetric Ring Opening/Cyclization/Retro‐Mannich Reaction of Cyclopropyl Ketones with Aryl 1,2‐Diamines for the Synthesis of Benzimidazole Derivatives
Authors: Xia Yong , Lin Lili , Chang Fenzhen , Liao Yuting , Liu Xiaohua , Feng Xiaoming 
Published: July 2016

AbstractA highly efficient asymmetric ring‐opening/cyclization/retro‐Mannich reaction of cyclopropyl ketones with aryl 1,2‐diamines has been realized using a chiral N,N′‐dioxide/ScIII catalyst. Benzimidazoles containing chiral side chains were generated under mild reaction conditions in excellent outcomes (up to 99 % yield and 97 % ee). This method also provides efficient access to chiral benzimidazole‐substituted amide and cycloheptene derivatives.
Structural Design Principle of Small‐Molecule Organic Semiconductors for Metal‐Free, Visible‐Light‐Promoted Photocatalysis
Authors: Wang Lei , Huang Wei , Li Run , Gehrig Dominik , Blom Paul W. M. , Landfester Katharina , Zhang Kai A. I. 
Published: July 2016

AbstractHerein, we report on the structural design principle of small‐molecule organic semiconductors as metal‐free, pure organic and visible light‐active photocatalysts. Two series of electron‐donor and acceptor‐type organic semiconductor molecules were synthesized to meet crucial requirements, such as 1) absorption range in the visible region, 2) sufficient photoredox potential, and 3) long lifetime of photogenerated excitons. The photocatalytic activity was demonstrated in the intermolecular C−H functionalization of electron‐rich heteroaromates with malonate derivatives. A mechanistic study of the light‐induced electron transport between the organic photocatalyst, substrate, and the sacrificial agent are described. With their tunable absorption range and defined energy‐band structure, the small‐molecule organic semiconductors could offer a new class of metal‐free and visible light‐active photocatalysts for chemical reactions.
Asymmetric Transfer Hydrogenation of Imines using Alcohol: Efficiency and Selectivity are Influenced by the Hydrogen Donor
Authors: Pan Hui‐Jie , Zhang Yao , Shan Chunhui , Yu Zhaoyuan , Lan Yu , Zhao Yu 
Published: July 2016

AbstractThe influence of the alcohol, as the hydrogen donor, on the efficiency and selectivity of the asymmetric transfer hydrogenation (ATH) of imines is reported for the first time. This discovery not only leads to a highly enantioselective access to N‐aryl and N‐alkyl amines, but also provides new insight into the mechanism of the ATH of imines. Both experimental and computational studies provide support for the reaction pathway involving an iridium alkoxide as the reducing species.
Dissecting Bottromycin Biosynthesis Using Comparative Untargeted Metabolomics
Authors: Crone William J. K. , Vior Natalia M. , Santos‐Aberturas Javier , Schmitz Lukas G. , Leeper Finian J. , Truman Andrew W. 
Published: July 2016

AbstractBottromycin A2 is a structurally unique ribosomally synthesized and post‐translationally modified peptide (RiPP) that possesses potent antibacterial activity towards multidrug‐resistant bacteria. The structural novelty of bottromycin stems from its unprecedented macrocyclic amidine and rare β‐methylated amino acid residues. The N‐terminus of a precursor peptide (BtmD) is converted into bottromycin A2 by tailoring enzymes encoded in the btm gene cluster. However, little was known about key transformations in this pathway, including the unprecedented macrocyclization. To understand the pathway in detail, an untargeted metabolomic approach that harnesses mass spectral networking was used to assess the metabolomes of a series of pathway mutants. This analysis has yielded key information on the function of a variety of previously uncharacterized biosynthetic enzymes, including a YcaO domain protein and a partner protein that together catalyze the macrocyclization.
Cure‐on‐demand wood adhesive based on the frontal polymerization of acrylates
Authors: Holt TreyVon , Fazende Kylee , Jee Elizabeth , Wu Qinglin , Pojman John A. 
Published: July 2016

ABSTRACTWe demonstrated for the first time a cure‐on‐demand wood adhesive using thermal frontal polymerization with Southern Pine wood. Monomer structure, initiator loading, and filler loading all had an impact on the strength of the adhesive and the cure‐on‐demand ability. More flexible, ethoxylated monomers produced stronger adhesives; though, the ethoxylate groups reduce the ability of the system to be polymerized frontally. Addition of a highly reactive comonomer (acrylic acid) to increase molecular weight between crosslinks along with the ethoxylated triacrylate increased the propensity for frontal polymerization and made a tougher polymer. Increasing initiator loading could help ensure front propagation, but a maximum initiator loading was reached where the gaseous byproducts of the peroxide initiator made the network highly porous and thus lacking strength. Fillers such as kaolin and sawdust helped overcome decreases in strength at high initiator loadings. © 2016 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2016, 133, 44064.
Oxidative β‐Csp3−H Functionalization of tBuOH: A Selective Radical/Radical Cross‐Coupling Access to β‐Hydroxy Thioethers
Authors: Li Yuxiu , Liu Dong , Liu Chao , Lei Aiwen 
Published: July 2016

AbstractAn oxidative β‐Csp3−H functionalization of tert‐butanol (tBuOH) for the construction of C−S bonds through an iodine‐catalyzed Csp3−H/S−H coupling was successfully achieved. Different kinds of mercaptans were shown to be good coupling partners, affording the desired products in good yields. This protocol not only offers a novel method for the synthesis of β‐hydroxy thioethers, but also provides an effective strategy for selective radical/radical cross‐coupling.
RhI‐Catalyzed Intramolecular Carbonylative C−H/C−I Coupling of 2‐Iodobiphenyls Using Furfural as a Carbonyl Source
Authors: Furusawa Takuma , Morimoto Tsumoru , Nishiyama Yasuhiro , Tanimoto Hiroki , Kakiuchi Kiyomi 
Published: July 2016

AbstractSynthesis of fluoren‐9‐ones by a Rh‐catalyzed intramolecular C−H/C−I carbonylative coupling of 2‐iodobiphenyls using furfural as a carbonyl source is presented. The findings indicate that the rate‐determining step is not a C−H bond cleavage but, rather, the oxidative addition of the C−I bond to a RhI center.
Standardization of chemical analytical techniques for pyrolysis bio‐oil: history, challenges, and current status of methods
Authors: Ferrell Jack R. , Olarte Mariefel V. , Christensen Earl D. , Padmaperuma Asanga B. , Connatser Raynella M. , Stankovikj Filip , Meier Dietrich , Paasikallio Ville 
Published: July 2016

AbstractIn this perspective, we discuss the standardization of analytical techniques for pyrolysis bio‐oils, including the current status of methods, and our opinions on future directions. First, the history of past standardization efforts is summarized, and both successful and unsuccessful validation of analytical techniques highlighted. The majority of analytical standardization studies to‐date has tested only physical characterization techniques. Here, we present results from an international round robin on the validation of chemical characterization techniques for bio‐oils. Techniques tested included acid number, carbonyl titrations using two different methods (one at room temperature and one at 80 °C), 31P NMR for determination of hydroxyl groups, and a quantitative gas chromatography–mass spectrometry (GC‐MS) method. Both carbonyl titration and acid number methods have yielded acceptable inter‐laboratory variabilities. 31P NMR produced acceptable results for aliphatic and phenolic hydroxyl groups, but not for carboxylic hydroxyl groups. As shown in previous round robins, GC‐MS results were more variable. Reliable chemical characterization of bio‐oils will enable upgrading research and allow for detailed comparisons of bio‐oils produced at different facilities. Reliable analytics are also needed to enable an emerging bioenergy industry, as processing facilities often have different analytical needs and capabilities than research facilities. We feel that correlations in reliable characterizations of bio‐oils will help strike a balance between research and industry, and will ultimately help to ‐determine metrics for bio‐oil quality. Finally, the standardization of additional analytical methods is needed, particularly for upgraded bio‐oils. © 2016 Society of Chemical Industry and John Wiley & Sons, Ltd
In vivo use of the CYP inhibitor 1‐aminobenzotriazole to increase long‐term exposure in mice
Authors: Watanabe Ayahisa , Mayumi Kei , Nishimura Kyohei , Osaki Hiromi 
Published: July 2016

Abstract1‐Aminobenzotriazole (ABT) is a well‐known in vivo nonspecific inhibitor of cytochrome P450 (CYP) enzymes. An effective dosing regimen of ABT for a multiple‐administration study is needed to conduct pharmacological studies for proof‐of‐concept, although it has been established for single‐administration study, to characterize the pharmacokinetics of drug candidates. This study demonstrated a suitable dosing vehicle of ABT for continuous administration and increased exposure to antipyrine, which is a nonspecific probe of CYP, using ABT for a long period in mice. The dosing vehicle of ABT was 0.5% (w/v) hydroxypropyl methylcellulose and 0.5% (v/v) Tween 80 in N,N‐dimethylacetamide/20% hydroxypropyl‐β‐cyclodextrin aqueous solution (2:8, v/v) based on the duration of apparent solubility. After implantation of an ALZET osmotic pump with ABT, the plasma concentrations of ABT were maintained at more than 4.1 μg/ml over 336 h. Compared with the vehicle group, the CLtot of antipyrine with ABT decreased to approximately one‐fourth, and the BA of antipyrine with ABT increased up to 3‐fold. In addition, the enhancement of exposure of antipyrine by ABT was maintained over the 336 h. The body weight, food consumption and hematological parameters of mice did not change with ABT administration for 16 days. These findings demonstrated that pretreatment of ABT can increase long‐term exposure using continuous administration with the ALZET osmotic pump in mice with no overt toxicity. It is concluded that the in vivo use of 1‐aminobenzotriazole can be applied to pharmacological studies for proof‐of‐concept, thus contributing to the selection of drug candidates at an early drug discovery stage. Copyright © 2016 John Wiley & Sons, Ltd.
Revisiting the Effects of Anger on Risk‐Taking: Empirical and Meta‐Analytic Evidence for Differences Between Males and Females
Authors: Ferrer Rebecca A. , Maclay Alexander , Litvak Paul M. , Lerner Jennifer S. 
Published: July 2016

AbstractThat anger elicited in one situation can carry over to drive risky behavior in another situation has been described since the days of Aristotle. The present studies examine the mechanisms through which and the conditions under which such behavior occurs. Across three experiments, as well as a meta‐analytic synthesis of the data, results reveal that incidental anger is significantly more likely to drive risky decision making among males than among females. Moreover, the experiments document that, under certain circumstances, such risk‐taking pays off financially. Indeed, the present experiments demonstrate that, because the expected‐value‐maximizing strategy in these studies rewarded risk‐taking, angry‐male individuals earned more money than did both neutral‐emotion males and angry females. In sum, these studies found evidence for robust disparities between males and females for anger‐driven risk‐taking. Importantly, although men did not experience more anger than women, they did show a heightened tendency to respond to anger with risk‐taking. Published 2016. This article has been contributed to by US Government employees and their work is in the public domain in the USA.