bluuebunny/crossref_metadata_2025_split huggingface dataset:
Adapter les outils de contrôle aux contextes et aux acteurs dans les PME : le cas exploratoire du tableau de bord achat d’un dirigeant
Authors: Dangereux Katia , Chapellier Philippe , Villesèque-Dubus Fabienne 
Published: June 2017

Ce travail a pour objectif de montrer que les systèmes de contrôle prennent du sens aux yeux des dirigeants de PME sous condition d’adaptation et que, dans certains cas, des systèmes de contrôle relativement proches de ceux susceptibles d’être observés dans les grandes organisations peuvent s’avérer adaptés aux besoins d’une PME. Pour ce faire, une étude a été réalisée au sein d’une PME d’une cinquantaine de salariés dans le cadre d’une observation participante. Nous proposons dans un premier temps une description d’un tableau de bord « achat » relativement élaboré, réactif, décentralisé, en lien avec la stratégie, en montrant comment il s’articule avec les autres outils de gestion de l’entreprise. Nous tentons ensuite d’identifier les caractéristiques organisationnelles, environnementales et individuelles permettant de comprendre la réussite perçue par le dirigeant de la mise en place de cet outil.
Exercise, immunity, and infection
Authors: Calabrese Leonard H. , Nieman David C. 
Published: June 2017

Abstract
Although further research is needed with larger study groups and improved study designs, a review of the literature indicates that there are some scientific bases to suggest that heavy or exhaustive exercise may be predisposing to upper respiratory tract illness while moderate amounts may be protective. There exists no convincing evidence suggesting that moderate exercise poses a demonstrable negative influence on the frequency of common respiratory tract infections or adversely influences the course of certain chronic viral illnesses, including viral hepatitis and human immunodeficiency virus infection. Constitutional symptoms secondary to infectious diseases appear to compromise human performance. Exhaustive exercise appears to be a predisposing factor for the development of common respiratory tract infections and may potentially adversely affect the course of certain infectious diseases. Very limited data suggest an enhancement of resistance to respiratory tract infections from moderate exercise training. Although biologically plausible, data to support unequivocal exercise-induced enhancement or suppression of immunologic function are inconclusive at this time.
Tiny pollen grains: first evidence of Saururaceae from the Late Cretaceous of western North America
Authors: Grímsson Friðgeir , Grimm Guido W. , Zetter Reinhard 
Published: June 2017

BackgroundThe Saururaceae, a very small family of Piperales comprising only six species in four genera, have a relatively scanty fossil record outside of Europe. The phylogenetic relationships of the four genera to each other are resolved, with the type genusSaururusoccurring in both eastern North America and East Asia. No extant species occurs in western Eurasia. The most exceptional find so far has been an inflorescence within-situpollen,Saururus tuckeraeS.Y.Sm. & Stockey from Eocene of North America with strong affinities to extant species ofSaururus.Recent dated trees suggest, however, an Eocene or younger crown age for the family.MethodsDispersed fossil pollen grains from the Campanian (82–81 Ma) of North America are compared to dispersed pollen grains from the Eocene strata containingS. tuckerae,the Miocene of Europe, and extant members of the family using combined LM and SEM imaging.ResultsThe unambiguous fossil record of the Saururaceae is pushed back into the Campanian (82–81 Ma). Comparison with re-investigated pollen from the Eocene of North America, the Miocene of Europe, and modern species of the family shows that pollen morphology in Saururaceae is highly conservative, and remained largely unchanged for the last 80 million years.DiscussionCampanian pollen of Saururaceae precludes young (Eocene or younger) estimates for the Saururaceae root and crown age, but is in-line with maximum age scenarios.Saururus-type pollen appear to represent the primitive pollen morphology of the family. Often overlooked because of its small size, dispersed Saururaceae pollen may provide a unique opportunity to map the geographic history of a small but old group of Piperales, and should be searched for in Paleogene and Cretaceous sediment samples.
The influence of meridional ice transport on Europa's ocean stratification and heat content
Authors: Zhu Peiyun , Manucharyan Georgy E. , Thompson Andrew F. , Goodman Jason C. , Vance Steven D. 
Published: June 2017

AbstractJupiter's moon Europa likely hosts a saltwater ocean beneath its icy surface. Geothermal heating and rotating convection in the ocean may drive a global overturning circulation that redistributes heat vertically and meridionally, preferentially warming the ice shell at the equator. Here we assess the previously unconstrained influence of ocean‐ice coupling on Europa's ocean stratification and heat transport. We demonstrate that a relatively fresh layer can form at the ice‐ocean interface due to a meridional ice transport forced by the differential ice shell heating between the equator and the poles. We provide analytical and numerical solutions for the layer's characteristics, highlighting their sensitivity to critical ocean parameters. For a weakly turbulent and highly saline ocean, a strong buoyancy gradient at the base of the freshwater layer can suppress vertical tracer exchange with the deeper ocean. As a result, the freshwater layer permits relatively warm deep ocean temperatures.
Comparative study of large‐scale auroral signatures of substorms, steady magnetospheric convection events, and sawtooth events
Authors: Walach M.‐T. , Milan S. E. , Murphy K. R. , Carter J. A. , Hubert B. A. , Grocott A. 
Published: June 2017

AbstractThis paper investigates the auroral evolution during different magnetospheric modes: substorms, steady magnetospheric convection, and sawtooth events. We undertake a superposed epoch analysis using data from the Imager for Magnetopause‐to‐Aurora Global Exploration Far Ultraviolet spectrographic imager and wideband imaging camera for each of these event types. We find that the auroral oval narrows and shows an equatorward movement prior to substorm onset. At substorm onset, the auroral oval brightens explosively near 23 magnetic local time (MLT). After this the aurorae expand poleward and the brightening stretches duskward and dawnward, with the duskward expansion being faster. Approximately 20 min after substorm onset, the aurorae begin to dim. Steady magnetospheric convection events with preceding substorms initially show the same signatures as substorms, but instead of the recovery after 20 min postonset, the aurorae stay bright for an extended period of time (at least 4 h after onset). Despite continued dayside driving of the system during steady magnetospheric convection events, we see a reconfiguration in the nightside auroral activity, taking place between 120 to 150 min after onset. Sawtooth events show very similar signatures to substorms, except for the auroral emission being much brighter, covering a wider MLT extent, and taking significantly less time to recover. The proton aurorae during substorms take ∼2–4 h to dim, during sawtooth events this process takes less than 1 h, despite enhanced reconnection rates. A similar effect is seen in the electron aurorae, albeit not as extreme.
Suzuki–Miyaura Cross‐Coupling Reactions of Tetrahydroxanthones and 4‐Chromanone Lactones to Heteromeric Biaryls
Authors: Geiger Larissa , Nieger Martin , Bräse Stefan 
Published: June 2017

AbstractWe are reporting on a Suzuki–Miyaura cross‐coupling study of a tetrahydroxanthone model system with different boronic acids, pinacolboranes, and halides to afford heteromeric biaryls. We transferred these reaction conditions to the Suzuki–Miyaura cross‐coupling reactions of 4‐chromanone lactones. We thereby obtained complex building blocks offering a convenient starting point for further transformations towards various natural products with the tetrahydroxanthone structural motif.magnified image
Multivalente Siderophor‐DOTAM‐Konjugate als Theranostika zur Visualisierung und Behandlung bakterieller Infektionen
Authors: Ferreira Kevin , Hu Hai‐Yu , Fetz Verena , Prochnow Hans , Rais Bushra , Müller Peter P. , Brönstrup Mark 
Published: June 2017

AbstractEs besteht ein großer Bedarf an besseren Diagnosen von Infektionen in tieferliegenden Körperregionen durch nichtinvasive molekulare Bildgebung. In diesem Zusammenhang wurden Sonden entwickelt, die auf Siderophor‐Konjugaten mit Catechol‐Einheiten und einem zentralen DOTAM‐Kern beruhen. Diese Sonden können sowohl ein Metallion als auch einen antibiotischen Wirkstoff tragen und eignen sich daher für theranostische Anwendungen. Die Translokation der Konjugate durch die innere und äußere Zellmembran von E. coli wurde durch Experimente zur Wiederherstellung des Wachstums mit Enterobactin‐defizienten Bakterienstämmen, durch die antibakterielle Wirkung Ampicillin‐tragender Konjugate sowie durch Konfokalmikroskopie bestätigt. Für Letztere wurde ein auf E. coli adaptiertes System aus Fluorogen‐aktivierendem Protein und Malachitgrün verwendet. Eine erste Anwendung der Verbindungen für die In‐vivo‐Bildgebung wurde mit einem Cy5.5‐Konjugat in P.‐aeruginosa‐infizierten Mäusen gezeigt.
Die Struktur des Silaffin‐Peptids R5 aus Diatomeen in freistehenden zweidimensionalen Biosilikatwänden
Authors: Lutz Helmut , Jaeger Vance , Schmüser Lars , Bonn Mischa , Pfaendtner Jim , Weidner Tobias 
Published: June 2017

AbstractDas Silaffin‐Peptid R5 spielt eine entscheidende Rolle bei der Mineralisation der Silikatzellwände von Diatomeen. Das Peptid ist außerdem weit verbreitet in der Biotechnologie, z. B. bei der Verkapselung von Enzymen und für Fusionsproteine für beschleunigte Wundheilung. Trotz seiner wissenschaftlichen und technologischen Bedeutung ist die Struktur von R5 an der Grenzfläche während der Silikatausfällung nur wenig verstanden. Wir untersuchen hier die Konformation des Peptids durch grenzflächenspezifische Schwingungsspektroskopie in Verbindung mit Molekulardynamiksimulationen – während es an der Grenzfläche aktiv ist. Im Gegensatz zu vorherigen NMR‐Untersuchungen beweisen unsere Daten, dass R5 eine wohldefinierte Struktur aufweist, während es mit ausgedehnten Silikatwände wechselwirkt. Wir zeigen, dass sämtliche Aminosäuren von R5 während der Silikatbildung mit Silikat wechselwirken, was zur Interkalation von Silikat in den assemblierten Film führt.
DDT Polymorphism and the Lethality of Crystal Forms
Authors: Yang Jingxiang , Hu C. T. , Zhu Xiaolong , Zhu Qiang , Ward Michael D. , Kahr Bart 
Published: June 2017

AbstractDDT (1,1,1‐trichloro‐2,2‐bis(4‐chlorophenyl)ethane), a contact insecticide with a rich and controversial history since its activity was discovered in 1939, has long been thought to be monomorphic. Herein we report the discovery and characterization of a second polymorph, designated Form II, which can be isolated as single crystals, but converts very slowly at room temperature to the form reported previously, now designated as Form I. Computations based on an evolutionary algorithm for crystal structure prediction revealed that Forms I and II are among the four lowest energy crystal structures of fifty calculated. A preliminary study of the contact insecticidal activity toward fruit flies (Drosophila melanogaster) indicates that Form II is more active, suggesting opportunities for more effective solid‐state formulations that would allow reduced amounts of DDT, thereby minimizing environmental impact.
Catalytic Oxidative Trifluoromethoxylation of Allylic C−H Bonds Using a Palladium Catalyst
Authors: Qi Xiaoxu , Chen Pinhong , Liu Guosheng 
Published: June 2017

AbstractA catalytic intermolecular allylic C−H trifluoromethoxylation reaction of alkenes has been developed based on the use of a palladium catalyst, CsOCF3 as the trifluoromethoxide source, and benzoquinone as the oxidant. This reaction provides an efficient route for directly accessing allylic trifluoromethoxy derivatives with excellent regioselectivities from terminal alkenes via an allylic C−H bond activation process.
Proton Transport in the Outer‐Membrane Flavocytochrome Complex Limits the Rate of Extracellular Electron Transport
Authors: Okamoto Akihiro , Tokunou Yoshihide , Kalathil Shafeer , Hashimoto Kazuhito 
Published: June 2017

AbstractThe microbial transfer of electrons to extracellularly located solid compounds, termed extracellular electron transport (EET), is critical for microbial electrode catalysis. Although the components of the EET pathway in the outer membrane (OM) have been identified, the role of electron/cation coupling in EET kinetics is poorly understood. We studied the dynamics of proton transport associated with EET in an OM flavocytochrome complex in Shewanella oneidensis MR‐1. Using a whole‐cell electrochemical assay, a significant kinetic isotope effect (KIE) was observed following the addition of deuterated water (D2O). The removal of a flavin cofactor or key components of the OM flavocytochrome complex significantly increased the KIE in the presence of D2O to values that were significantly larger than those reported for proton channels and ATP synthase, thus indicating that proton transport by OM flavocytochrome complexes limits the rate of EET.
Dibenzothiophene Sulfoximine as an NH3 Surrogate in the Synthesis of Primary Amines by Copper‐Catalyzed C−X and C−H Bond Amination
Authors: Li Zhen , Yu Hao , Bolm Carsten 
Published: June 2017

AbstractReadily accessible dibenzothiophene sulfoximine is an NH3 surrogate allowing the preparation of free anilines by copper‐catalyzed cross‐coupling reactions with aryl iodides or amides followed by radical S−N bond cleavage. The one‐pot/two‐step reactions sequence leads to the aminated products in good yields.
Formation of a Tunneling Product in the Photorearrangement of o‐Nitrobenzaldehyde
Authors: Gerbig Dennis , Schreiner Peter R. 
Published: June 2017

AbstractThe photochemical rearrangement of o‐nitrobenzaldehyde to o‐nitrosobenzoic acid, first reported in 1901, has been shown to proceed via a distinct ketene intermediate. In the course of matrix isolation experiments in various host materials at temperatures as low as 3 K, the ketene was re‐investigated in its electronic and vibrational ground states. It was shown that hitherto unreported H‐tunneling dominates its reactivity, with half‐lives of a few minutes. Unexpectedly, the tunneling product is different from o‐nitrosobenzoic acid formed in the photoprocess: Once prepared by irradiation, the ketene spontaneously rearranges to an isoxazolone via an intriguing mechanism initiated by H‐tunneling. CCSD(T)/cc‐pVTZ computations reveal that this isoxazolone is neither thermodynamically nor kinetically favored under the experimental conditions, and that formation of this unique tunneling product constitutes a remarkable and new example of tunneling control.
On the Thermodynamics and Experimental Control of Twinning in Metal Nanocrystals
Authors: Gilroy Kyle D. , Puibasset Joël , Vara Madeline , Xia Younan 
Published: June 2017

AbstractThis work demonstrates a new strategy for controlling the evolution of twin defects in metal nanocrystals by simply following thermodynamic principles. With Ag nanocrystals supported on amorphous SiO2 as a typical example, we establish that twin defects can be rationally generated by equilibrating nanoparticles of different sizes through heating and then cooling. We validate that Ag nanocrystals with icosahedral, decahedral, and single‐crystal structures are favored at sizes below 7 nm, between 7 and 11 nm, and greater than 11 nm, respectively. This trend is then rationalized by computational studies based on density functional theory and molecular dynamics, which show that the excess free energy for the three equilibrium structures correlate strongly with particle size. This work not only highlights the importance of thermodynamic control but also adds another synthetic method to the ever‐expanding toolbox used for generating metal nanocrystals with desired properties.
Multivalent Siderophore–DOTAM Conjugates as Theranostics for Imaging and Treatment of Bacterial Infections
Authors: Ferreira Kevin , Hu Hai‐Yu , Fetz Verena , Prochnow Hans , Rais Bushra , Müller Peter P. , Brönstrup Mark 
Published: June 2017

AbstractThere is a strong need to better diagnose infections at deep body sites through noninvasive molecular imaging methods. Herein, we describe the synthesis and characterization of probes based on siderophore conjugates with catechol moieties and a central DOTAM scaffold. The probes can accommodate a metal ion as well as an antibiotic moiety and are therefore suited for theranostic purposes. The translocation of the conjugates across the outer and inner cell membranes of E. coli was confirmed by growth recovery experiments with enterobactin‐deficient strains, by the antibacterial activity of ampicillin conjugates, and by confocal imaging using a fluorogen‐activating protein–malachite green system adapted to E. coli. The suitability of the probes for in vivo imaging was demonstrated with a Cy5.5 conjugate in mice infected with P. aeruginosa.
Identification of a Stable ZnII–Oxyl Species Produced in an MFI Zeolite and Its Reversible Reactivity with O2 at Room Temperature
Authors: Oda Akira , Ohkubo Takahiro , Yumura Takashi , Kobayashi Hisayoshi , Kuroda Yasushige 
Published: June 2017

AbstractAlthough a terminal oxyl species bound to certain metal ions is believed to be the intermediate for various oxidation reactions, such as O−O bond generation in photosystem II (PSII), such systems have not been characterized. Herein, we report a stable ZnII–oxyl species induced by an MFI‐type zeolite lattice and its reversible reactivity with O2 at room temperature. Its intriguing characteristics were confirmed by in situ spectroscopic studies in combination with quantum‐chemical calculations, namely analyses of the vibronic Franck–Condon progressions and the ESR signal features of both ZnII–oxyl and ZnII–ozonide species formed during this reversible process. Molecular orbital analyses revealed that the reversible reaction between a ZnII–oxyl species and an O2 molecule proceeds via a radical O–O coupling–decoupling mechanism; the unpaired electron of the oxyl species plays a pivotal role in the O−O bond generation process.
Brønsted Acid‐Mediated Cycloaromatization of 1H‐Indol‐2‐yl Propargyl Benzoates to 7H‐Benzo[c]carbazoles
Authors: Tan Javey Khiapeng , Mathiew Mitch , Nayak Sanatan , Chan Philip Wai Hong 
Published: June 2017

AbstractA synthetic method for the efficient assembly of benzo[c]carbazole derivatives that relies on silica gel‐activated benzoic acid‐mediated cycloaromatization of 1H‐indol‐2‐yl propargyl benzoates under atmospheric conditions is described. Robust with a variety of substitution patterns tolerated, the reaction provides a one‐step strategy to construct a member of the N‐heterocycles family in good to excellent yields. A tentative mechanism is proposed in which the cycloaromatization process is thought to involve a Brønsted acid‐mediated formal 1,3‐acyloxy migration/6π‐electrocyclization pathway.
Efavirenz clearances in vitro and in vivo in six cynomolgus monkeys associated with polymorphic cytochrome P450 2C9 and simulated by individual physiologically based pharmacokinetic models
Authors: Utoh Masahiro , Miura Tomonori , Kusama Takashi , Uehara Shotaro , Shimizu Makiko , Uno Yasuhiro , Yamazaki Hiroshi 
Published: June 2017

AbstractCynomolgus monkey cytochrome P450 2C9 (formerly known as P450 2C43) variation was reportedly associated with metabolic clearance of the antiretroviral drug efavirenz in vivo (in three wild‐type, one heterozygote and two homozygote animals), being unlikely in the case of human P450 2B6‐dependent efavirenz clearance. In this study, the liver microsomal elimination rates of efavirenz for the same individual animals previously treated with intravenous/oral administrations of efavirenz showed significant reductions associated with the P450 2C9 p.[(I112L)] genotype (p < 0.05). Simulations of efavirenz clearance after oral administrations in individual cynomolgus monkeys were performed using individual simplified physiologically based pharmacokinetic (PBPK) modeling consisting of gut, liver and central compartments. The modeled hepatic intrinsic clearances were also significantly associated with the P450 2C9 genotypes, however, absorption rate constants or volumes of the systemic circulation were not likely determining factors for the individual efavirenz clearance variations in the six cynomolgus monkeys. This study provides important information to help simulate the clearances of efavirenz and related medicines associated with polymorphic P450 2C9 in individual cynomolgus monkeys, thereby facilitating the calculation of the fraction of liver microsomal clearance for estimating in vivo drug clearance with simplified PBPK modeling.
Electron Trap States and Photopotential of Nanocrystalline Titanium Dioxide Electrodes Filled with Single‐Walled Carbon Nanotubes
Authors: Ansón‐Casaos Alejandro , Hernández‐Ferrer Javier , Rubio‐Muñoz Cristina , Santidrian Ana , Martínez M. Teresa , Benito Ana M. , Maser Wolfgang K. 
Published: June 2017

AbstractHybrid film electrodes were made of nanocrystalline titanium dioxide (TiO2) and various percentages of single‐walled carbon nanotube (SWCNT) fillers up to 5.5 wt%. A complete photoelectrochemical study was performed in both alkaline and acidic conditions by using cyclic voltammetry, potentiostatic photocurrent measurements, and open‐circuit‐potential measurements under UV/Vis irradiation. Dark voltammograms show a transition from a capacitive to a resistive behavior in the TiO2accumulation region upon increasing SWCNT percentages. In addition, the energy levels of deep electron traps change inside the TiO2bandgap. The new peak positions correspond to the reduction potentials of SWCNTs, and their associated charge capacities increase with the SWCNT percentage. The modifications observed in dark experiments directly impact on the shape profile of cyclic voltammograms under irradiation. As a consequence, reduction potentials of SWCNTs appear near the cathodic peaks of certain water oxidation intermediates, and may be interacting with them. On the other hand, open‐circuit photopotentials reach maximum values for small SWCNTs percentages around 0.02 wt%. An increase in potentiodynamic and potentiostatic photocurrents is observed for the electrode containing 0.02 wt% SWCNTs, compared to reference TiO2in acidic conditions.
An in situ‐Fabricated Composite Polymer Electrolyte Containing Large‐Anion Lithium Salt for All‐Solid‐State LiFePO4/Li Batteries
Authors: Huang Ke‐Cheng , Li Huan‐Huan , Fan Hong‐Hong , Guo Jin‐Zhi , Xing Yue‐Ming , Hu Yu‐Peng , Wu Xing‐Long , Zhang Jing‐Ping 
Published: June 2017

AbstractIn this work, we propose an in situ hydrolytic method to synthesize SiO2 nanoparticles, which are incorporated in poly(ethylene oxide)‐based polymer in the presence of lithium salt with a large anion (lithium bis(oxalate) borate). When evaluated as the solid electrolyte for electrochemical performance in lithium batteries, the as‐prepared composite polymer electrolyte (CPE) exhibits an exciting ion conductivity of 1.9 mS/cm at 80 °C. Moreover, the CPE shows a decent Li+ transference number up to 0.69 and wide electrochemical window of 5.05 V at 60 °C. Furthermore, the Li/LiFePO4 cell assembled by the CPE exhibits an impressive capacity of 156.3 mAh/g at 60 °C under 0.05 C (1 C=160 mA/g). Considering the aspects mentioned above, the prepared CPE has the potential to be applied in practical high‐temperature batteries with a long‐term service life. More importantly, the synthetic strategy is favorable for enhancing both physical and electrochemical performance for solid electrolyte and may provide a new strategy for study and fabrication of lithium batteries.