bluuebunny/crossref_metadata_2025_split huggingface dataset:
Peat bogs in northern Alberta, Canada reveal decades of declining atmospheric Pb contamination
Authors: Shotyk William , Appleby Peter G. , Bicalho Beatriz , Davies Lauren , Froese Duane , Grant‐Weaver Iain , Krachler Michael , Magnan Gabriel , Mullan‐Boudreau Gillian , Noernberg Tommy , Pelletier Rick , Shannon Bob , van Bellen Simon , Zaccone Claudio 
Published: September 2016

AbstractPeat cores were collected from six bogs in northern Alberta to reconstruct changes in the atmospheric deposition of Pb, a valuable tracer of human activities. In each profile, the maximum Pb enrichment is found well below the surface. Radiometric age dating using three independent approaches (14C measurements of plant macrofossils combined with the atmospheric bomb pulse curve, plus 210Pb confirmed using the fallout radionuclides 137Cs and 241Am) showed that Pb contamination has been in decline for decades. Today, the surface layers of these bogs are comparable in composition to the “cleanest” peat samples ever found in the Northern Hemisphere, from a Swiss bog ~ 6000 to 9000 years old. The lack of contemporary Pb contamination in the Alberta bogs is testimony to successful international efforts of the past decades to reduce anthropogenic emissions of this potentially toxic metal to the atmosphere.
Transport of solar wind plasma onto the lunar nightside surface
Authors: Vorburger A. , Wurz P. , Barabash S. , Futaana Y. , Wieser M. , Bhardwaj A. , Dhanya M. B. , Asamura K. 
Published: September 2016

AbstractWe present first measurements of energetic neutral atoms that originate from solar wind plasma having interacted with the lunar nightside surface. We observe two distinct energetic neutral atom (ENA) distributions parallel to the terminator, the spectral shape, and the intensity of both of which indicate that the particles originate from the bulk solar wind flow. The first distribution modifies the dayside ENA flux to reach ∼6° into the nightside and is well explained by the kinetic temperature of the solar wind protons. The second distribution, which was not predicted, reaches from the terminator to up to 30° beyond the terminator, with a maximum at ∼102° in solar zenith angle. As most likely wake transport processes for this second distribution we identify acceleration by the ambipolar electric field and by the negatively charged lunar nightside surface. In addition, our data provide the first observation indicative of a global solar zenith angle dependence of positive dayside surface potentials.
Global water vapor variability and trend from the latest 36 year (1979 to 2014) data of ECMWF and NCEP reanalyses, radiosonde, GPS, and microwave satellite
Authors: Chen Biyan , Liu Zhizhao 
Published: September 2016

AbstractThe variability and trend in global precipitable water vapor (PWV) from 1979 to 2014 are analyzed using the PWV data sets from the ERA‐Interim reanalysis of the European Centre for Medium‐Range Weather Forecasts (ECMWF), reanalysis of the National Centers for Environmental Prediction (NCEP), radiosonde, Global Positioning System (GPS), and microwave satellite observations. PWV data from the ECMWF and NCEP have been evaluated by radiosonde, GPS, and microwave satellite observations, showing that ECMWF has higher accuracy than NCEP. Over the oceans, ECMWF has a much better agreement with the microwave satellite than NCEP. An upward trend in the global PWV is evident in all the five PWV data sets over three study periods: 1979–2014, 1992–2014, and 2000–2014. Positive global PWV trends, defined as percentage normalized by annual average, of 0.61 ± 0.33% decade−1, 0.57 ± 0.28% decade−1, and 0.17 ± 0.35% decade−1, have been derived from the NCEP, radiosonde, and ECMWF, respectively, for the period 1979–2014. It is found that ECMWF overestimates the PWV over the ocean prior to 1992. Thus, two more periods, 1992–2014 and 2000–2014, are studied. Increasing PWV trends are observed from all the five data sets in the two periods: 1992–2014 and 2000–2014. The linear relationship between PWV and surface temperature is positive over most oceans and the polar region. Steep positive/negative regression slopes are generally found in regions where large regional moisture flux divergence/convergence occurs.
Molecular cloning, heterologous expression, and enzymatic characterization of lysoplasmalogen‐specific phospholipase D from Thermocrispum sp.
Authors: Matsumoto Yusaku , Kashiwabara Nana , Oyama Takayuki , Murayama Kazutaka , Matsumoto Hideyuki , Sakasegawa Shin‐ich , Sugimori Daisuke 
Published: September 2016

Lysoplasmalogen (LyPls)‐specific phospholipase D (LyPls‐PLD) is an enzyme that catalyses the hydrolytic cleavage of the phosphoester bond of LyPls, releasing ethanolamine or choline, and 1‐(1‐alkenyl)‐sn‐glycero‐3‐phosphate (lysoplasmenic acid). Little is known about LyPls‐PLD and metabolic pathways of plasmalogen (Pls). Reportedly, Pls levels in human serum/plasma correlate with several diseases such as Alzheimer's disease and arteriosclerosis as well as a variety of biological processes including apoptosis and cell signaling. We identified a LyPls‐PLD from Thermocrispum sp. strain RD004668, and the enzyme was purified, characterized, cloned, and expressed using pET24a(+)/Escherichia coli with a His tag. The enzyme's preferred substrate was choline LyPls (LyPlsCho), with only modest activity toward ethanolamine LyPls. Under optimum conditions (pH 8.0 and 50 °C), steady‐state kinetic analysis for LyPlsCho yielded Km and kcat values of 13.2 μm and 70.6 s−1, respectively. The ORF of LyPls‐PLD gene consisted of 1005 bp coding a 334‐amino‐acid (aa) protein. The deduced aa sequence of LyPls‐PLD showed high similarity to those of glycerophosphodiester phosphodiesterases (GDPDs); however, the substrate specificity differed completely from those of GDPDs and general phospholipase Ds (PLDs). Structural homology modeling showed that two putative catalytic residues (His46, His88) of LyPls‐PLD were highly conserved to GDPDs. Mutational and kinetic analyses suggested that Ala55, Asn56, and Phe211 in the active site of LyPls‐PLD may participate in the substrate recognition. These findings will help to elucidate differences among LyPls‐PLD, PLD, and GDPD with regard to function, substrate recognition mechanism, and biochemical roles.Data AccessibilityThermocrispum sp. strain RD004668 and its 16S rDNA sequence were deposited in the NITE Patent Microorganisms Depositary (NPMD; Chiba, Japan) as NITE BP‐01628 and in the DDBJ database under the accession number AB873024. The nucleotide sequences of the 16S rDNA of strain RD004668 and the LyPls‐PLD gene were deposited in the DDBJ database under the accession numbers AB873024 and AB874601, respectively.EnzymeEC number EC 3.1.4.4
Traumatic injury risk and agricultural transitions: A view from the American Southeast and beyond
Authors: Lambert Patricia M. , Welker Martin H. 
Published: September 2016

AbstractObjectivesBioarchaeological research has documented a general decline in health with the transition from foraging to farming, primarily with respect to changing patterns of morbidity. Less is known about changes in injury risk, an aspect of health more obviously tied to particular landscapes and behaviors associated with different subsistence regimes. The purpose of this research is to evaluate several hypotheses emerging from the ideal free distribution model (Fretwell & Lucas,) that predict injury risk based on subsistence‐specific practices and land use patterns.Materials and MethodsPostcranial fracture frequencies for long bones and clavicles in human skeletal remains from three Southeast U.S. regions permit examination of variability in injury risk among low‐intensity (floodplain) farmers. Published data on six hunter‐gatherer samples, four low‐intensity agriculturalist samples, and six high‐intensity agriculturalist samples comprise a comparative sample for examining variability in injury risk across three distinct subsistence traditions. Differences are evaluated usingZscores and the Fisher Exact test, Chi‐Square test, and Mann–WhitneyUtest.ResultsWhile statistically significant differences are apparent among low‐intensity farming groups in the Southeast sample, in the global comparison postcranial fractures are significantly less common in low‐intensity agriculturalists than in hunter‐gatherers or high‐intensity agriculturalists.DiscussionThe results of this study support the hypothesis that, with respect to traumatic injury risk, low‐intensity farming is a risk‐averse subsistence strategy in comparison with full‐time foraging or high‐intensity agriculture. These data suggest that it is not agriculture per se that predicts an increase in this health risk, but rather the mode and intensity of agricultural production, findings that have important ramifications for our understanding of the health consequences of major subsistence transitions.
Ein stabiles kristallines Triarylphosphinoxidradikalanion
Authors: Schaub Tobias A. , Zolnhofer Eva M. , Halter Dominik P. , Shubina Tatyana E. , Hampel Frank , Meyer Karsten , Kivala Milan 
Published: September 2016

AbstractTriarylphosphinoxide (Ar3P=O) werden zurzeit intensiv als elektronenarme Halbleitermaterialien untersucht. Trotz ihres weitverbreiteten Einsatzes als Elektronenleiter gibt es kaum experimentelle Daten bezüglich der strukturellen und elektronischen Besonderheiten von negativ geladenen Triarylphosphinoxiden, was unter anderem ihrer Neigung zu Folgereaktionen zuzuschreiben ist. Im Hinblick darauf wurde ein Triarylphosphinoxid konzipiert und synthetisiert, bei dem die zentrale fragile Phosphorylgruppe (P=O) durch sterisch anspruchsvolle Spirofluorenyleinheiten abgeschirmt ist. Die Verbindung kann chemisch zum entsprechenden Triarylphosphinoxidradikalanion reduziert werden, das, aufgrund seiner außergewöhnlichen Stabilität, erstmals mittels Einzelkristallröntgenbeugung charakterisiert werden konnte. Die gewonnenen experimentellen Daten wurden durch spektroskopische Messungen und quantenchemische Berechnungen ergänzt, um ein umfassendes Bild der vorliegenden anionischen Spezies zu erhalten. Unsere Ergebnisse sind von grundlegender Bedeutung für den Entwurf von phosphinoxidbasierten Materialien mit erhöhter Stabilität im einfach negativ geladenen Zustand.
1H‐detektierte Festkörper‐NMR‐Studien wasserunzugänglicher Proteine in vitro und in situ
Authors: Medeiros‐Silva João , Mance Deni , Daniëls Mark , Jekhmane Shehrazade , Houben Klaartje , Baldus Marc , Weingarth Markus 
Published: September 2016

Abstract1H‐Detektion kann die spektrale Empfindlichkeit in der Festkörper‐NMR‐Spektroskopie stark verbessern und erlaubt dadurch Studien komplexerer Proteine. Zur 1H‐Detektion müssen jedoch austauschbare Wasserprotonen in ansonsten perdeuterierte Proteine eingeführt werden. Diese Vorbedingung hat bisweilen Studien wasserunzugänglicher Proteine stark erschwert. Hier präsentieren wir eine Methode, welche die hochaufgelöste 1H‐Detektion wasserunzugänglicher Proteine ermöglicht und selbst in hochkomplexen Medien wie zellulären Oberflächen funktioniert. Wir demonstrieren unsere Methode am Beispiel des K+‐Kanals KcsA in Liposomen sowie in situ in nativen bakteriellen Zellmembranen. Wir verwenden unsere Daten für eine Analyse der KcsA‐Dynamik und zeigen, dass der Selektivitätsfilter, der in K+‐Kanälen hochkonserviert vorliegt und kritisch für die Ionenleitfähigkeit ist, ausgeprägte molekulare Flexibilität aufweist.
Closing Uranyl Polyoxometalate Capsules with Bismuth and Lead Polyoxocations
Authors: Renier Olivier , Falaise Clément , Neal Harrison , Kozma Karoly , Nyman May 
Published: September 2016

AbstractUranyl polyoxometalate clusters are both fundamentally fascinating and potentially relevant to nuclear energy applications. With only ten years of development, there is still much to be discovered about heterometal derivatives and aqueous speciation and behavior. Herein, we show that it is possible to encapsulate the polyoxocations [Bi6O8]2+ and [Pb8O6]4+ in [(UO2)(O2)(OH)]2424− (denoted Bi@U24 and Pb@U24) in pure form and high yields despite the fact that under aqueous conditions, these compounds are stable on opposite ends of the pH scale. Moreover, [Pb8O6]4+ is a formerly unknown PbII polynuclear species, both in solution and in the solid state. Raman spectroscopic and mass spectrometric analysis of the reaction solutions revealed the very rapid assembly of the nested clusters, driven by bismuth‐ or lead‐promoted decomposition of excess peroxide, which inhibits U24 formation. Experimental and simulated small‐angle X‐ray scattering data of Bi@U24 and Pb@U24 solutions revealed that this technique is very sensitive not only to the size and shape of the clusters, but also to the encapsulated species.
Fabrication of Hollow Materials by Fast Pyrolysis of Cellulose Composite Fibers with Heterogeneous Structures
Authors: Dong Yue , Jia Baoquan , Fu Feiya , Zhang Heyou , Zhang Lina , Zhou Jinping 
Published: September 2016

AbstractA facile method for the fabrication of inorganic hollow materials from cuprammonium cellulose composite filaments based on fast pyrolysis has been developed. Unlike Ostwald ripening, approaches based on the Kirkendall effect, and other template methods, this process yielded hollow materials within 100 s. The heterogeneous structure of the cellulose composite fibers and the gradient distribution of the metal oxides are the main reasons for the formation of the hollow structure. The diameter, wall thickness, and length of the hollow microfibers could be conveniently controlled. With their perfect morphology, these hollow structural materials have great potential for use in various fields.
Continuous Consecutive Reactions with Inter‐Reaction Solvent Exchange by Membrane Separation
Authors: Peeva Ludmila , Da Silva Burgal Joao , Heckenast Zsofia , Brazy Florine , Cazenave Florian , Livingston Andrew 
Published: September 2016

AbstractPharmaceutical production typically involves multiple reaction steps with separations between successive reactions. Two processes which complicate the transition from batch to continuous operation in multistep synthesis are solvent exchange (especially high‐boiling‐ to low‐boiling‐point solvent), and catalyst separation. Demonstrated here is membrane separation as an enabling platform for undertaking these processes during continuous operation. Two consecutive reactions are performed in different solvents, with catalyst separation and inter‐reaction solvent exchange achieved by continuous flow membrane units. A Heck coupling reaction is performed in N,N‐dimethylformamide (DMF) in a continuous membrane reactor which retains the catalyst. The Heck reaction product undergoes solvent exchange in a counter‐current membrane system where DMF is continuously replaced by ethanol. After exchange the product dissolved in ethanol passes through a column packed with an iron catalyst, and undergoes reduction (>99 % yield).
1H‐Detected Solid‐State NMR Studies of Water‐Inaccessible Proteins In Vitro and In Situ
Authors: Medeiros‐Silva João , Mance Deni , Daniëls Mark , Jekhmane Shehrazade , Houben Klaartje , Baldus Marc , Weingarth Markus 
Published: September 2016

Abstract1H detection can significantly improve solid‐state NMR spectral sensitivity and thereby allows studying more complex proteins. However, the common prerequisite for 1H detection is the introduction of exchangeable protons in otherwise deuterated proteins, which has thus far significantly hampered studies of partly water‐inaccessible proteins, such as membrane proteins. Herein, we present an approach that enables high‐resolution 1H‐detected solid‐state NMR (ssNMR) studies of water‐inaccessible proteins, and that even works in highly complex environments such as cellular surfaces. In particular, the method was applied to study the K+ channel KcsA in liposomes and in situ in native bacterial cell membranes. We used our data for a dynamic analysis, and we show that the selectivity filter, which is responsible for ion conduction and highly conserved in K+ channels, undergoes pronounced molecular motion. We expect this approach to open new avenues for biomolecular ssNMR.
Supertetrahedral Networks and Lithium‐Ion Mobility in Li2SiP2 and LiSi2P3
Authors: Haffner Arthur , Bräuniger Thomas , Johrendt Dirk 
Published: September 2016

AbstractThe new phosphidosilicates Li2SiP2 and LiSi2P3 were synthesized by heating the elements at 1123 K and characterized by single‐crystal X‐ray diffraction. Li2SiP2 (I41/acd, Z=32, a=12.111(1) Å, c=18.658(2) Å) contains two interpenetrating diamond‐like tetrahedral networks consisting of corner‐sharing T2 supertetrahedra [(SiP4/2)4]. Sphalerite‐like interpenetrating networks of uniquely bridged T4 and T5 supertetrahedra make up the complex structure of LiSi2P3 (I41/a, Z=100, a=18.4757(3) Å, c=35.0982(6) Å). The lithium ions are located in the open spaces between the supertetrahedra and coordinated by four to six phosphorus atoms. Temperature‐dependent 7Li solid‐state MAS NMR spectroscopic data indicate high mobility of the Li+ ions with low activation energies of 0.10 eV in Li2SiP2 and 0.07 eV in LiSi2P3.
How to use QSPR‐type approaches to predict properties in the context of Green Chemistry
Authors: Fayet Guillaume , Rotureau Patricia 
Published: September 2016

AbstractGreen Chemistry is an active field of chemical research in which the ultimate targets are to promote high‐value, safe, clean products from renewable resources using inherently safer and clean processes. Until recently, the main efforts focused on the production of chemicals based on renewable resources by cleaner processes, notably by eliminating or substituting solvents.Quantitative Structure‐Property Relationships (QSPR) offer the opportunity to also take into account safety issues (in particular fire and explosion risks) in the early steps of development of chemicals and processes in the context of Green Chemistry. Based on robust methods for their development and validation, these predictive approaches allow access to the properties of substances based only on the knowledge of their molecular structures, even before their synthesis. QSPR models have been developed for various kinds of properties, including physico‐chemical hazards, for diverse families of compounds.They can be used as virtual screening tools to identify the best candidate among a series of possible compounds (within databases of products) for a target application and even in computer‐aided molecular design to propose alternative molecular structures, for instance for substitution purposes. So they represent very relevant tools to take into account the physico‐chemical hazards of substances together with targeted functional properties from the early stages of R&D projects toward safe‐by‐design “green” products and processes. © 2016 Society of Chemical Industry and John Wiley & Sons, Ltd
Camelid VHH affinity ligands enable separation of closely related biopharmaceuticals
Authors: Pabst Timothy M. , Wendeler Michaela , Wang Xiangyang , Bezemer Sandra , Hermans Pim , Hunter Alan K. 
Published: September 2016

AbstractInterest in new and diverse classes of molecules such as recombinant toxins, enzymes, and blood factors continues to grow for use a biotherapeutics. Compared to monoclonal antibodies, these novel drugs typically lack a commercially available affinity chromatography option, which leads to greater process complexity, longer development timelines, and poor platformability. To date, for both monoclonal antibodies and novel molecules, affinity chromatography has been mostly reserved for separation of process‐related impurities such as host cell proteins and DNA. Reports of affinity purification of closely related product variants and modified forms are much rarer. In this work we describe custom affinity chromatography development using camelid VHH antibody fragments as "tunable" immunoaffinity ligands for separation of product‐related impurities. One example demonstrates high selectivity for a recombinant immunotoxin where no binding was observed for an undesired deamidated species. Also discussed is affinity purification of a coagulation factor through specific recognition of the gamma‐carboxylglutamic acid domain.
Effect of green and red light in lipid accumulation and transcriptional profile of genes implicated in lipid biosynthesis in Chlamydomonas reinhardtii
Authors: Gaytán‐Luna Daniel Eugenio , Ochoa‐Alfaro Ana Erika , Rocha‐Uribe Alejandro , Pérez‐Martínez Ana Silvia , Alpuche‐Solís Ángel Gabriel , Soria‐Guerra Ruth Elena 
Published: September 2016

Microalgae have the potential to accumulate triacylglycerols under different light spectra. In this work, Chlamydomonas reinhardtii was grown under white (400–700 nm), red (650 nm), and green (550 nm) lights. According to our results, red light (650 nm) has a positive effect in the microalgae growth and chlorophyll concentration. About the lipid content, the control culture (white light‐illuminated) reached a 4.4% of dry cell weight (dcw), whereas the culture grown at 550 nm showed an increase of 1.35‐fold in the lipids accumulation (5.96% dcw). Interestingly, the most significant accumulation was found in the culture grown at 650 nm (14.78% dcw) which means 3.36‐fold higher with respect to the white light‐illuminated culture. The most abundant fatty acids found in lipid extracts obtained from the cultures under different light wavelength were palmitic (C16: 0), oleic (C18: 1n9), stearidonic (C18: 4), and linoleic (C18: 2), which are useful in the biodiesel production. Changes in gene expression in response to different wavelength illuminations were assessed; however, an in‐depth analysis of a larger number of genes involved in lipid biosynthesis is necessary to fully explain the highest accumulation of lipids in the culture grown under red light. This approach will be useful to find a sustainable source of lipids for biodiesel production. © 2016 American Institute of Chemical Engineers Biotechnol. Prog., 32:1404–1411, 2016
Bone marrow sarcoidosis associated with long‐term interferon‐β treatment for multiple sclerosis
Authors: Teh Angela , Russell Patrick , Li Jordan , Hewage Udul 
Published: September 2016

Key Clinical MessageSarcoidosis is a diagnosis that should be considered in patients receiving interferon therapy, who present with anemia and multiorgan dysfunction regardless of the duration of their treatment. When sarcoidosis is suspected, bone marrow biopsy should be considered especially for cases predominant by extrapulmonary features.
Pharmacist blood pressure management programs using telemonitoring systems are useful for monitoring side effects of antihypertensive drugs in a community pharmacy
Authors: Mizuno Tomohiro , Nabetani Nobuko , Yamashita Natsuki , Matsumoto Chizuru , Yasuda Yoshinari , Nagamatsu Tadashi , Umemura Norimasa 
Published: September 2016

Key Clinical MessageWe previously started pharmacist blood pressure (BP) management programs using telemonitoring systems for monitoring side effects of antihypertensive drugs in a community pharmacy. The present case demonstrates that pharmacist BP management programs using telemonitoring systems are useful for monitoring side effects of antihypertensive drugs in a community pharmacy.
A Synthesis of Exiguaquinol Dessulfate
Authors: Schwarzwalder Gregg M. , Scott David R. , Vanderwal Christopher D. 
Published: September 2016

AbstractA concise and stereoselective synthesis of exiguaquinol dessulfate is described. Sequential application of a Diels–Alder cycloaddition, a desymmetrizing aldol addition, and a reductive Heck cyclization established most of the architecture of exiguaquinol, and a carefully choreographed introduction of the polar substituents afforded the title compound; unfortunately, naphthoquinol sulfation could not be achieved to deliver exiguaquinol. Our hypothesis regarding the configurational preference of the N‐acyl hemiaminal, which was based upon an analysis of internal hydrogen‐bonding interactions with polar functional groups, was proven correct. A late‐stage intermediate did not demonstrate bactericidal activity against H. pylori cultures.