bluuebunny/crossref_metadata_2025_split huggingface dataset:
Structure and composition of the distant lunar exosphere: Constraints from ARTEMIS observations of ion acceleration in time‐varying fields
Authors: Halekas J. S. , Poppe A. R. , Farrell W. M. , McFadden J. P. 
Published: June 2016

AbstractBy analyzing the trajectories of ionized constituents of the lunar exosphere in time‐varying electromagnetic fields, we can place constraints on the composition, structure, and dynamics of the lunar exosphere. Heavy ions travel slower than light ions in the same fields, so by observing the lag between field rotations and the response of ions from the lunar exosphere, we can place constraints on the composition of the ions. Acceleration, Reconnection, Turbulence, and Electrodynamics of Moon's Interaction with the Sun (ARTEMIS) provides an ideal platform to utilize such an analysis, since its two‐probe vantage allows precise timing of the propagation of field discontinuities in the solar wind, and its sensitive plasma instruments can detect the ion response. We demonstrate the utility of this technique by using fully time‐dependent charged particle tracing to analyze several minutes of ion observations taken by the two ARTEMIS probes ~3000–5000 km above the dusk terminator on 25 January 2014. The observations from this time period allow us to reach several interesting conclusions. The ion production at altitudes of a few hundred kilometers above the sunlit surface of the Moon has an unexpectedly significant contribution from species with masses of 40 amu or greater. The inferred distribution of the neutral source population has a large scale height, suggesting that micrometeorite impact vaporization and/or sputtering play an important role in the production of neutrals from the surface. Our observations also suggest an asymmetry in ion production, consistent with either a compositional variation in neutral vapor production or a local reduction in solar wind sputtering in magnetic regions of the surface.
Twelve year interannual and seasonal variability of stream carbon export from a boreal peatland catchment
Authors: Leach J. A. , Larsson A. , Wallin M. B. , Nilsson M. B. , Laudon H. 
Published: June 2016

AbstractUnderstanding stream carbon export dynamics is needed to accurately predict how the carbon balance of peatland catchments will respond to climatic and environmental change. We used a 12 year record (2003–2014) of continuous streamflow and manual spot measurements of total organic carbon (TOC), dissolved inorganic carbon (DIC), methane (CH4), and organic carbon quality (carbon‐specific ultraviolet absorbance at 254 nm per dissolved organic carbon) to assess interannual and seasonal variability in stream carbon export for a peatland catchment (70% mire and 30% forest cover) in northern Sweden. Mean annual total carbon export for the 12 year period was 12.2 gCm−2 yr−1, but individual years ranged between 6 and 18 gCm−2 yr−1. TOC, which was primarily composed of dissolved organic carbon (>99%), was the dominant form of carbon being exported, comprising 63% to 79% of total annual exports, and DIC contributed between 19% and 33%. CH4 made up less than 5% of total export. When compared to previously published annual net ecosystem exchange (NEE) for the studied peatland system, stream carbon export typically accounted for 12 to 50% of NEE for most years. However, in 2006 stream carbon export accounted for 63 to 90% (estimated uncertainty range) of NEE due to a dry summer which suppressed NEE, followed by a wet autumn that resulted in considerable stream export. Runoff exerted a primary control on stream carbon export from this catchment; however, our findings suggest that seasonal variations in biologic and hydrologic processes responsible for production and transport of carbon within the peatland were secondary influences on stream carbon export. Consideration of these seasonal dynamics is needed when predicting stream carbon export response to environmental change.
On the utility of proxy system models for estimating climate states over the common era
Authors: Dee Sylvia G. , Steiger Nathan J. , Emile‐Geay Julien , Hakim Gregory J. 
Published: June 2016

AbstractPaleoclimate data assimilation has recently emerged as a promising technique to estimate past climate states. Here we test two of the underlying assumptions of paleoclimate data assimilation as applied so far: (1) climate proxies can be modeled as linear, univariate recorders of temperature and (2) structural errors in GCMs can be neglected. To investigate these two points and related uncertainties, we perform a series of synthetic, paleoclimate data assimilation‐based reconstructions where “pseudo” proxies are generated with physically based proxy system models (PSMs) for coral δ18O, tree ring width, and ice core δ18O using two isotope‐enabled atmospheric general circulation models. For (1), we find that linear‐univariate models efficiently capture the GCM's climate in ice cores and corals and do not lead to large losses in reconstruction skill. However, this does not hold for tree ring width, especially in regions where the trees' response is dominated by moisture supply; we quantify how the breakdown of this assumption lowers reconstruction skill for each proxy class. For (2), we find that climate model biases can introduce errors that greatly reduce reconstruction skill, with or without perfect proxy system models. We explore possible strategies for mitigating structural modeling errors in GCMs and discuss implications for paleoclimate reanalyses.
Fingerprinting stress: Stylolite and calcite twinning paleopiezometry revealing the complexity of progressive stress patterns during folding—The case of the Monte Nero anticline in the Apennines, Italy
Authors: Beaudoin Nicolas , Koehn Daniel , Lacombe Olivier , Lecouty Alexandre , Billi Andrea , Aharonov Einat , Parlangeau Camille 
Published: June 2016

AbstractIn this study we show for the first time how quantitative stress estimates can be derived by combining calcite twinning and stylolite roughness stress fingerprinting techniques in a fold‐and‐thrust belt. First, we present a new method that gives access to stress inversion using tectonic stylolites without access to the stylolite surface and compare results with calcite twin inversion. Second, we use our new approach to present a high‐resolution deformation and stress history that affected Meso‐Cenozoic limestone strata in the Monte Nero Anticline during its late Miocene‐Pliocene growth in the Umbria‐Marche Arcuate Ridge (northern Apennines, Italy). In this area an extensive stylolite‐joint/vein network developed during layer‐parallel shortening (LPS), as well as during and after folding. Stress fingerprinting illustrates how stress in the sedimentary strata did build up prior to folding during LPS. The stress regime oscillated between strike slip and compressional during LPS before ultimately becoming strike slip again during late stage fold tightening. Our case study shows that high‐resolution stress fingerprinting is possible and that this novel method can be used to unravel temporal relationships that relate to local variations of regional orogenic stresses. Beyond regional implications, this study validates our approach as a new powerful toolbox to high‐resolution stress fingerprinting in basins and orogens combining joint and vein analysis with sedimentary and tectonic stylolite and calcite twin inversion techniques.
Copper‐Catalyzed C(sp2)–C(sp3) Cross‐Dehydrogenative Coupling of Quinones with Cyclic Alkanes: One‐Step Access to Parvaquone and its Analogs
Authors: Baral Ek Raj , Kim Sung Hong , Lee Yong Rok 
Published: June 2016

AbstractA copper‐catalyzed direct cross‐coupling reaction of quinones with cycloalkanes in the presence of tert‐butyl hydro peroxide was developed. This methodology allows the direct installation of cycloalkyl groups with medium‐ and large‐sized rings on 1,4‐naphthoquinones, anthracene‐1,4‐dione, or 1,4‐benzoquinones. Based on this new protocol, the one‐pot synthesis of the antimalarial drug, parvaquone, was achieved.
Hypervalent Iodine‐Catalyzed Synthesis of 1,2,4‐Oxadiazoles from Aldoximes and Nitriles
Authors: Yoshimura Akira , Nguyen Khiem C. , Klasen Scott C. , Postnikov Pavel S. , Yusubov Mekhman S. , Saito Akio , Nemykin Victor N. , Zhdankin Viktor V. 
Published: June 2016

AbstractA convenient procedure for oxidative cycloaddition of aldoximes with nitriles using stoichiometric or catalytic amounts of hypervalent iodine(III) reagent IBA‐OTf (2‐iodosylbenzoic acid triflate) has been developed. This efficient procedure works well for the preparation of various 1,2,4‐oxadiazoles in generally high yields under mild reaction conditions. The actual oxidant in this reaction, IBA‐OTf, is prepared from 2‐iodosylbenzoic acid (IBA) and trifluoromethanesulfonic acid (TfOH) or it can be generated in situ from 2‐iodobenzoic acid and m‐chloroperoxybenzoic acid (m‐CPBA) in the presence of TfOH. The nature of hydroxy(aryl)iodonium species, generated in situ from 2‐iodobenzoic acid, m‐CPBA, and TfOH under catalytic reaction conditions, has been confirmed by 1H NMR spectroscopy, ESI‐mass spectrometry, and by X‐ray diffraction.
Non‐Osmotic Hydrogels: A Rational Strategy for Safely Degradable Hydrogels
Authors: Kamata Hiroyuki , Kushiro Keiichiro , Takai Madoka , Chung Ung‐il , Sakai Takamasa 
Published: June 2016

AbstractHydrogels are promising materials for biomedical applications, where timely degradation is often preferred. In the conventional design, however, the cleavage of polymer networks essentially causes considerable morphological changes (i.e., degradation‐induced swelling), triggering various medical complications. Herein, we report a rational strategy to suppress the degradation‐induced swelling based on the synthetic control of the polymer–solvent interaction parameter (χ) of constituent polymer networks. The resultant hydrogels with an optimal χ parameter (χ37 °C≈0.53; non‐osmostic hydrogels) displayed the capability to retain their original shape and degrade without generating significant swelling pressure under physiological conditions (Π37 °C<1 kPa). This concept of the safely degradable non‐osmotic hydrogel is theoretically universal, and can be exploited for other types of synthetic hydrogels in various settings.
Solvent Extraction: Structure of the Liquid–Liquid Interface Containing a Diamide Ligand
Authors: Scoppola Ernesto , Watkins Erik B. , Campbell Richard A. , Konovalov Oleg , Girard Luc , Dufrêche Jean‐Francois , Ferru Geoffroy , Fragneto Giovanna , Diat Olivier 
Published: June 2016

AbstractKnowledge of the (supra)molecular structure of an interface that contains amphiphilic ligand molecules is necessary for a full understanding of ion transfer during solvent extraction. Even if molecular dynamics already yield some insight in the molecular configurations in solution, hardly any experimental data giving access to distributions of both extractant molecules and ions at the liquid–liquid interface exist. Here, the combined application of X‐ray and neutron reflectivity measurements represents a key milestone in the deduction of the interfacial structure and potential with respect to two different lipophilic ligands. Indeed, we show for the first time that hard trivalent cations can be repelled or attracted by the extractant‐enriched interface according to the nature of the ligand.
Enantio‐ and Diastereoselective 1,2‐Additions to α‐Ketoesters with Diborylmethane and Substituted 1,1‐Diborylalkanes
Authors: Murray Stephanie A. , Green Jacob C. , Tailor Sanita B. , Meek Simon J. 
Published: June 2016

AbstractThe catalytic enantioselective synthesis of boronate‐substituted tertiary alcohols through additions of diborylmethane and substituted 1,1‐diborylalkanes to α‐ketoesters is reported. The reactions are catalyzed by readily available chiral phosphine/copper(I) complexes and produce β‐hydroxyboronates containing up to two contiguous stereogenic centers in up to 99:1 e.r. and greater than 20:1 d.r. The utility of the organoboron products is demonstrated through several chemoselective functionalizations. Evidence indicates the reactions occur via an enantioenriched α‐boryl‐copper‐alkyl intermediate.
Redox‐Active‐Ligand‐Mediated Formation of an Acyclic Trinuclear Ruthenium Complex with Bridging Nitrido Ligands
Authors: Bagh Bidraha , Broere Daniël L. J. , Siegler Maxime A. , van der Vlugt Jarl Ivar 
Published: June 2016

AbstractCoordination of a redox‐active pyridine aminophenol ligand to RuII followed by aerobic oxidation generates two diamagnetic RuIII species [1 a (cis) and 1 b (trans)] with ligand‐centered radicals. The reaction of 1 a/1 b with excess NaN3 under inert atmosphere resulted in the formation of a rare bis(nitrido)‐bridged trinuclear ruthenium complex with two nonlinear asymmetrical Ru‐N‐Ru fragments. The spontaneous reduction of the ligand centered radical in the parent 1 a/1 b supports the oxidation of a nitride (N3−) to half an equivalent of N2. The trinuclear omplex is reactive toward TEMPO‐H, tin hydrides, thiols, and dihydrogen.
Selection of thinner for epoxy–amine system used as binder for polymeric mortars
Authors: Bourguiba Amal , Dhaoui Wadia , Ghorbel Elhem 
Published: June 2016

ABSTRACTEpoxy resin mortars are mainly used in the implementation of precast items used in the civil engineering field. The workability of these mortars represents a major obstacle to the development of this field. In order to improve this property, different types of thinners are selected to study their effect on the rheological properties of the epoxy–amine system. Rheological tests are performed in order to estimate the resin gel point and to measure its viscosity during the crosslinking reaction. It appears that viscosity is the lowest for mixtures prepared with methyl octanoate, o‐xylene, and butyl glycidyl ether. Methyl octanoate is chosen as an ecofriendly thinner. The curing process is evaluated by varying the amount of the selected thinner using isothermal and dynamic DSC to determine the end of crosslinking. The mechanical properties using dynamic mechanical analysis (DMA) and tensile resistance testing of the cured epoxy resin with different amounts of methyl octanoate are also investigated. © 2016 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2016, 133, 43970.
Electrofishing as a new method to search for unknown populations of the endangered freshwater pearl mussel Margaritifera margaritifera
Authors: Salonen Jouni K. , Taskinen Jouni 
Published: June 2016

Abstract1. The freshwater pearl mussel Margaritifera margaritifera is threatened throughout its Holarctic range, but the occurrence of this species is insufficiently mapped. For the conservation of M. margaritifera, it is important to identify populations more comprehensively.2. Traditionally mussels have been searched for visually using techniques such as diving and aquascope, both of which are potentially time‐consuming and demanding survey methods.3. In this study, a new search method is presented. As glochidia of M. margaritifera are larval parasites on the gills of salmonid fish, electrofishing and non‐destructive examination of salmonids with the naked eye may reveal the presence of glochidia and therefore the occurrence of M. margaritifera in watercourses. This method was tested in both the field and laboratory in northern Finland.4. In summer, when M. margaritifera glochidia were large, the status of salmonids being infected or uninfected by M. margaritifera was correctly identified with the naked eye with 62, 80, 88 and 93% accuracy in four streams sampled, 96% accuracy in the laboratory, and 100% accuracy in all cases when at least 20 glochidia per fish were present. Intensity of infection was also assessed successfully; a specifically tailored, qualitative abundance score correlated significantly with the real number of glochidia. However, during autumn with small glochidia freshly attached to fish, glochidia infection could be observed only under microscopic examination.5. When the method was used in 40 previously incompletely surveyed tributaries, three M. margaritifera populations were found. The infection in salmonids was observed always with the naked eye, being subsequently confirmed microscopically. The existence of adult mussels in two of these rivers was also confirmed.6. The results indicate that electrofishing and a relatively quick naked‐eye check of salmonids provides a new, non‐destructive, and potentially cost‐effective way to search for new, previously unrecorded M. margaritifera populations. Copyright © 2016 John Wiley & Sons, Ltd.
1,8‐Naphthalimide Derivative Dyes with Large Stokes Shifts for Targeting Live‐Cell Mitochondria
Authors: Zhang Liqiang , Su Fengyu , Kong Xiangxing , Lee Fred , Sher Steven , Day Kevin , Tian Yanqing , Meldrum Deirdre R. 
Published: June 2016

AbstractAn ideal fluorescent dye for staining cell organelles should have multiple properties including specificity, stability, biocompatibility, and a large Stokes shift. Tunable photophysical properties enable 1,8‐naphthalimide to serve as an excellent fluorophore in biomedical applications. Many naphthalimide derivatives have been developed into drugs, sensors, and other dyes. In this study, a series of 1,8‐naphthalimide derivatives targeting live cell mitochondria were synthesized. Among these probes, Mt‐4 was characterized as the best one, with highly specific mitochondrial localization, low cytotoxicity, and a large Stokes shift. More importantly, Mt‐4 stood out as a potential mitochondrial dye for living‐cell experiments involving induced mitochondrial stress arising from the treatments because Mt‐4 shows enhanced fluorescence in mitochondrial stress situations.
A Series of Diamagnetic Pyridine Monoimine Rhenium Complexes with Different Degrees of Metal‐to‐Ligand Charge Transfer: Correlating 13C NMR Chemical Shifts with Bond Lengths in Redox‐Active Ligands
Authors: Sieh Daniel , Kubiak Clifford P. 
Published: June 2016

AbstractA set of pyridine monoimine (PMI) rhenium(I) tricarbonyl chlorido complexes with substituents of different steric and electronic properties was synthesized and fully characterized. Spectroscopic (NMR and IR) and single‐crystal X‐ray diffraction analyses of these complexes showed that the redox‐active PMI ligands are neutral and that the overall electronic structure is little affected by the choices of the substituent at the ligand backbone. One‐ and two‐electron reduction products were prepared from selected starting compounds and could also be characterized by multiple spectroscopic methods and X‐ray diffraction. The final product of a one‐electron reduction in THF is a diamagnetic metal–metal‐bonded dimer after loss of the chlorido ligand. Bond lengths in and NMR chemical shifts of the PMI ligand backbone indicate partial electron transfer to the ligand. Two‐electron reduction in THF also leads to the loss of the chlorido ligand and a pentacoordinate complex is obtained. The comparison with reported bond lengths and 13C NMR chemical shifts of doubly reduced free pyridine monoaldimine ligands indicates that both redox equivalents in the doubly reduced rhenium complex investigated here are located in the PMI ligand. With diamagnetic complexes varying over three formal reduction stages at the PMI ligand we were, for the first time, able to establish correlations of the 13C NMR chemical shifts with the relevant bond lengths in redox‐active ligands over a full redox series.
Synthesis of Boronate‐Based Benzo[fg]tetracene and Benzo[hi]hexacene via Demethylative Direct Borylation
Authors: Numano Misa , Nagami Naoto , Nakatsuka Soichiro , Katayama Takazumi , Nakajima Kiichi , Tatsumi Sou , Yasuda Nobuhiro , Hatakeyama Takuji 
Published: June 2016

AbstractA demethylative direct borylation is reported, which was applied to the synthesis of benzo[fg]tetracenes containing boronate ester, amide, and thioester substructures. Depending on the heteroatom adjacent to boron, the molecules showed characteristic photophysical properties, molecular arrangements, and chemical stabilities. The key to the successful synthesis is the appropriate choice of the boron source and Brønsted base. The versatility of the direct borylation was demonstrated by the synthesis of a boronate‐based benzo[hi]hexacene.
Impact of specific patterns on the sensitivity for follicular and Hurthle cell carcinoma in thyroid fine‐needle aspiration
Authors: Renshaw Andrew A. , Gould Edwin W. 
Published: June 2016

BACKGROUNDTo the authors' knowledge, the impact of specific cytologic patterns in thyroid fine‐needle aspiration (FNA) for follicular and Hurthle cell carcinoma is not known.METHODSThe results of all thyroid FNAs performed from 1997 through 2015 with corresponding resections of follicular and Hurthle cell carcinomas were reviewed.RESULTSA total of 24 follicular carcinomas and 35 Hurthle cell carcinomas were identified. All FNA specimens from follicular carcinomas had a microfollicular component (3 of which were noted only in 3‐dimensional groups), but only 18 cases (75%) had cytologic atypia, which most commonly consisted of enlarged nuclei with slightly pale chromatin. Diagnosing cases without cytologic atypia as benign would significantly decrease the sensitivity of the test (P = .02). Five Hurthle cell FNA specimens consisted of only scant Hurthle cells. The remaining Hurthle cell FNA specimens could be divided into those with large cell dysplasia (15 cases), those with small cell dysplasia (10 cases), cases with anisonucleosis insufficient for a diagnosis of large cell dysplasia (4 cases), and cases with Hurthle cells in flat sheets without atypia (1 case). Diagnosing cases with flat sheets without atypia as benign did not appear to affect the sensitivity of the test (P = 1.00).CONCLUSIONSDiagnosing FNA specimens with microfollicles without atypia as benign appears to significantly reduce the sensitivity for follicular carcinoma to 75%; in contrast, diagnosing FNA specimens with Hurthle cells in flat sheets without anisonucleosis as benign does not. Cancer Cytopathol 2016;124:729–36. © 2016 American Cancer Society.
Using DrugBank for In Silico Drug Exploration and Discovery
Authors: Wishart David S. , Wu Anthony 
Published: June 2016

AbstractDrugBank is a fully curated drug and drug target database that contains 8174 drug entries including 1944 FDA approved small‐molecule drugs, 198 FDA‐approved biotech (protein/peptide) drugs, 93 nutraceuticals, and over 6000 experimental drugs. Additionally, 4300 non‐redundant protein (i.e., drug target/enzyme/transporter/carrier) sequences are linked to these drug entries. DrugBank is primarily focused on providing both the query/search tools and biophysical data needed to facilitate drug discovery and drug development. This unit provides readers with a detailed description of how to effectively use the DrugBank database and how to navigate through the DrugBank Web site. It also provides specific examples of how to find chemical homologs of potential drug leads and how to identify potential drug targets from newly sequenced tumor samples. The intent of this unit is to give readers an introduction to the field of Web‐based drug discovery and to show how cheminformatics can be seamlessly integrated into the field of bioinformatics. © 2016 by John Wiley & Sons, Inc.