bluuebunny/crossref_metadata_2025 huggingface dataset:
Intégrité, bénéfices et identification : trois leviers pour booster l’engagement envers la marque sur les réseaux sociaux
Authors: Helme-Guizon Agnès , Magnoni Fanny
Published: June 2017

Cet article s’intéresse aux déterminants de l’engagement du consommateur envers la marque sur les réseaux sociaux et à ses effets sur l’intention de fidélité. Il souligne que cet engagement est dirigé non seulement vers la marque (et comporte trois dimensions : cognitive, affective et comportementale) mais aussi vers les membres du réseau social (engagement social). Une étude quantitative auprès de 245 fans interrogés sur leur marque préférée sur Facebook montre que les bénéfices perçus ainsi que les connexions du soi à la marque impactent l’engagement social via la page de la marque et que ce dernier influence l’engagement envers la marque via la page de la marque. En outre, elle met en évidence que l’engagement envers la marque via la page de la marque est médiateur des effets de l’intégrité de la marque, des bénéfices perçus ainsi que des connexions du soi à la marque sur l’intention de fidélité à la marque.
Promouvoir les comportements de santé pro-sociaux : l’association du cadrage du message et de la distance sociale
Authors: Balbo Laurie , Jeannot Florence , Estarague Justine
Published: June 2017

Cette recherche propose que l’association du cadrage du message (gains vs. pertes) et de la distance sociale (proximale vs. distale) augmente l’intention de don pour deux comportements de santé pro-sociaux (le don du sang et le don d’organes). La première étude montre qu’un message de gains (soulignant les conséquences positives du don du sang) associé au témoignage d’une personne « distale » (plus âgée que le répondant) et qu’un message de pertes (soulignant les conséquences négatives d’une absence de don du sang) associé au témoignage d’une personne « proximale » (du même âge que le répondant) sont les combinaisons les plus efficaces pour promouvoir le don du sang. La seconde étude, appliquée au don d’organes, montre que les résultats obtenus lors de l’étude 1 sont renforcés ou amoindris selon le niveau d’optimisme comparatif – un biais de positivité – du récepteur du message.
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.
La dynamique des compétences relationnelles dans le développement des entreprises à internationalisation rapide et précoce : une approche multiniveaux
Authors: Elidrissi Djamila , Hauch Valérie , Loufrani-Fedida Sabrina
Published: June 2017

Alors qu’une part importante de la littérature sur les entreprises à internationalisation rapide et précoce (EIRP) souligne l’importance des réseaux sociaux dans leur dynamique, très peu nous est dit sur les compétences relationnelles mobilisées par ces entreprises pour initier, consolider et étendre ces réseaux sociaux à l’international. Pour combler cette lacune, nous avons entrepris un programme de recherche, dont l’objectif est d’améliorer la compréhension de la dynamique des compétences relationnelles dans le développement des EIRP, en nous intéressant à la fois à l’identification, l’émergence et la combinaison des quatre niveaux de compétences (individuel, collectif, organisationnel et interorganisationnel). Notre recherche, de type exploratoire, repose sur une démarche qualitative, centrée sur une analyse de données issues d’une série d’entretiens avec des entrepreneurs-dirigeants d’EIRP et des experts de leur développement. Les résultats montrent que la dynamique des compétences relationnelles est le fruit d’efforts déployés à la fois par les dirigeants et leurs équipes pour initier la relation, puis consolider le réseau et enfin l’étendre. Aussi, dans les EIRP, les compétences relationnelles ne sont pas données, mais se construisent progressivement grâce aux stratégies des acteurs et à la prise en considération des quatre niveaux d’analyse de la compétence.
Exercise, immunity, and infection
Authors: Calabrese Leonard H. , Nieman David C.
Published: June 2017

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.
Detection and drug resistance profile of Escherichia coli from subclinical mastitis cows and water supply in dairy farms in Saraburi Province, Thailand
Authors: Hinthong Woranich , Pumipuntu Natapol , Santajit Sirijan , Kulpeanprasit Suphang , Buranasinsup Shutipen , Sookrung Nitat , Chaicumpa Wanpen , Aiumurai Pisinee , Indrawattana Nitaya
Published: June 2017

Subclinical mastitis is a persistent problem in dairy farms worldwide. Environmental Escherichia coli is the bacterium predominantly responsible for this condition. In Thailand, subclinical mastitis in dairy cows is usually treated with various antibiotics, which could lead to antibiotic resistance in bacteria. E. coli is also a reservoir of many antibiotic resistance genes, which can be conveyed to other bacteria. In this study, the presence of E. coli in milk and water samples was reported, among which enteropathogenic E. coli was predominant, followed by enteroaggregative E. coli and enterohemorrhagic E. coli, which was found only in milk samples. Twenty-one patterns of antibiotic resistance were identified in this study. Ampicillin- and carbenicillin-resistant E. coli was the most common among the bacterial isolates from water samples. Meanwhile, resistance to ampicillin, carbenicillin, and sulfamethoxazole-trimethoprim was the pattern found most commonly in the E. coli from milk samples. Notably, only the E. coli from water samples possessed ESBL phenotype and carried antibiotic resistance genes, blaTEM and blaCMY-2. This indicates that pathogenic E. coli in dairy farms is also exposed to antibiotics and could potentially transfer these genes to other pathogenic bacteria under certain conditions.
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

Background

The 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.

Methods

Dispersed 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.

Results

The 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.

Discussion

Campanian 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.
Getting off to a good start? Genetic evaluation of the ex situ conservation project of the Critically Endangered Montseny brook newt (Calotriton arnoldi)
Authors: Valbuena-Ureña Emilio , Soler-Membrives Anna , Steinfartz Sebastian , Alonso Mònica , Carbonell Francesc , Larios-Martín Raquel , Obon Elena , Carranza Salvador
Published: June 2017

Ex situ management strategies play an important role in the conservation of threatened species when the wild survival of the species cannot be ensured. Molecular markers have become an outstanding tool for the evaluation and management of captive breeding programs. Two main genetic objectives should be prioritized when planning breeding programs: the maintenance of maximum neutral genetic diversity, and to obtain “self-sustaining” captive populations. In this study, we use 24 microsatellite loci to analyze and evaluate the genetic representativity of the initial phases of the captive breeding program of the Montseny brook newt, Calotriton arnoldi, an Iberian endemic listed as Critically Endangered. The results show that the initial captive stock has 74–78% of the alleles present in the wild populations, and captures roughly 93–95% of their total genetic diversity as observed in a previous study on wild newts, although it does not reach the desired 97.5%. Moreover, the percentage of unrelatedness among individuals does not exceed 95%. Therefore, we conclude that the genetic diversity of the captive stock should be improved by incorporating genetic material from unrelated wild newts. In recognition of the previously described significant genetic and morphological differentiation between eastern and western wild populations of C. arnoldi, we suggest maintaining two distinct breeding lines, and we do not recommend outbreeding between these lines. Our comparisons of genetic diversity estimates between real and distinct sample-sized simulated populations corroborated that a minimum of 20 individuals are needed for each captive population, in order to match the level of genetic diversity present in the wild populations. Thus, the current initial stock should be reinforced by adding wild specimens. The captive stock and subsequent cohorts should be monitored in order to preserve genetic variation. In order to avoid genetic adaptation to captivity, occasionally incorporating previously genotyped individuals from the wild into the captive populations is recommended.
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

Jupiter'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

This 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.
Harsh‐Environment‐Resistant OH‐Vibrations‐Sensitive Mid‐Infrared Water‐Ice Photonic Sensor
Authors: Martínez Javier , Ródenas Airán , Stake Andreas , Traveria Miquel , Aguiló Magdalena , Solis Javier , Osellame Roberto , Tanaka Taro , Berton Benoit , Kimura Shigueo , Rehfeld Nadine , Díaz Francesc
Published: June 2017

State‐of‐the‐art ultrahigh‐sensitivity photonic sensing schemes rely on exposing the evanescent field of tightly confined light to the environment. Yet, this renders an inherent fragility to the device, and since adding a protective layer disables light exposure, there exists a technology gap for highly sensitive harsh‐environment‐resistant surface photonic sensors. Here, a novel type of mid‐infrared waveguide sensors is reported which exploit vibrational resonance‐driven directional coupling effects besides absorption, with optical sensing elements that can be buried (≈1–10 µm) and resist systematic exposure to industrial environments without failure. A harsh‐environment‐resistant, fiber‐coupled, surface sensor for monitoring the structural phase of water (liquid‐supercooled‐solid), as well as the type of ice microstructure (clear rime), is shown. It is demonstrated how this type of sensor can be designed to detect ice layers with nanometric (≈100 nm) to microscopic (≈30 µm or higher) thicknesses, and the first experimental tests both in optical laboratory and in icing wind tunnel inflight aircraft simulation tests are reported.
Suzuki–Miyaura Cross‐Coupling Reactions of Tetrahydroxanthones and 4‐Chromanone Lactones to Heteromeric Biaryls
Authors: Geiger Larissa , Nieger Martin , Bräse Stefan
Published: June 2017

We 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.

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The development of kinetics model for CO2 absorption into tertiary amines containing carbonic anhydrase
Authors: Liu Bin , Luo Xiao , Liang Zhiwu , Olson Wilfred , Liu Helei , Idem Raphael , Tontiwachwuthikul Paitoon
Published: June 2017

CO2 absorption into aqueous solutions of two tertiary alkanolamines, namely, MDEA and DMEA with and without carbonic anhydrase (CA) was investigated with the use of the stopped‐flow technique at temperatures in the range of 293–313 K, CA concentration varying from 0 to 100 g/m3 in aqueous MDEA solution with the amine concentration ranging from 0.1 to 0.5 kmol/m3, and CA concentration varying from 0 to 40 g/m3 in aqueous DMEA solution with the amine concentration ranging from 0.05 to 0.25 kmol/m3. The results show that the pseudofirst‐order reaction rate (k0, amine; s−1) is significantly enhanced in the presence of CA as compared with that without CA. The enhanced values of the kinetic constant in the presence of CA has been calculated and a new kinetics model for reaction of CO2 absorption into aqueous tertiary alkanolamine solutions catalyzed by CA has been established and used to make comparisons of experimental and calculated pseudo first‐order reaction rate constant (k0, with CA) in CO2‐MDEA‐H2O and CO2‐DMEA‐H2O solutions. The AADs were 15.21 and 15.17%, respectively. The effect of pKa on the CA activities has also been studied by comparison of CA activities in different tertiary amine solutions, namely, TEA, MDEA, DMEA, and DEEA. The pKa trend for amines were: DEEA > DMEA > MDEA > TEA. In contrast, the catalyst enhancement in amines was in the order: TEA> MDEA> DMEA> DEEA. Therefore, it can be seen that the catalyst enhancement in the amines decreased with their increasing pKa values. © 2017 American Institute of Chemical Engineers AIChE J, 2017
Serotonergic 5HTTLPR/rs25531 s‐allele homozygosity associates with violent suicides in male citalopram users
Authors: Rahikainen Anna‐Liina , Majaharju Salla , Haukka Jari , Palo Jukka U. , Sajantila Antti
Published: June 2017

Depressive disorders are involved as a background factor in over 50% of suicide cases. The most widely used antidepressants today are serotonin selective reuptake inhibitors (SSRIs). However, not all users benefit from SSRI medication. Although the overall number of suicides in Finland have decreased notably during the last decade, the annual rate is still relatively high, particularly in male population. In this study, we tested the hypothesis that the genetic variants associated with decreased citalopram efficiency, 5HTTLPR/rs25531, and increased impulsive behavior, MAOA‐uVNTR and HTR2B Q20*, are more frequent among citalopram users committing suicide than among the citalopram users in general. Also the effect of alcohol was evaluated. The study population comprised 349 suicide victims (184 males and 165 females). Based on the suicide method used, cases were divided into two groups; violent (88 males and 49 females) and non‐violent (96 males and 116 females). The control group (284; 159 males and 125 females) consisted of citalopram users who died of causes other than suicide. We found that male citalopram users with low functioning s/s genotype of 5HTTLPR/rs25531 were in increased risk to commit violent suicide (OR 2.50, 95%CI 1.15–5.42, p = 0.020). Surprisingly, high blood alcohol concentration was observed to be a risk factor only in non‐violent suicides (both males and females), but not in violent ones. No association between suicides and MAOA‐uVNTR and HTR2B Q20*, which have been previously connected to violent and impulsive behavior, was detected.
Genome‐wide association study of facial emotion recognition in children and association with polygenic risk for mental health disorders
Authors: Coleman Jonathan R.I. , Lester Kathryn J. , Keers Robert , Munafò Marcus R. , Breen Gerome , Eley Thalia C.
Published: June 2017

Emotion recognition is disrupted in many mental health disorders, which may reflect shared genetic aetiology between this trait and these disorders. We explored genetic influences on emotion recognition and the relationship between these influences and mental health phenotypes. Eight‐year‐old participants (n = 4,097) from the Avon Longitudinal Study of Parents and Children (ALSPAC) completed the Diagnostic Analysis of Non‐Verbal Accuracy (DANVA) faces test. Genome‐wide genotype data was available from the Illumina HumanHap550 Quad microarray. Genome‐wide association studies were performed to assess associations with recognition of individual emotions and emotion in general. Exploratory polygenic risk scoring was performed using published genomic data for schizophrenia, bipolar disorder, depression, autism spectrum disorder, anorexia, and anxiety disorders. No individual genetic variants were identified at conventional levels of significance in any analysis although several loci were associated at a level suggestive of significance. SNP‐chip heritability analyses did not identify a heritable component of variance for any phenotype. Polygenic scores were not associated with any phenotype. The effect sizes of variants influencing emotion recognition are likely to be small. Previous studies of emotion identification have yielded non‐zero estimates of SNP‐heritability. This discrepancy is likely due to differences in the measurement and analysis of the phenotype.
Identification of candidate genes involved in the etiology of sporadic Tourette syndrome by exome sequencing
Authors: Eriguchi Yosuke , Kuwabara Hitoshi , Inai Aya , Kawakubo Yuki , Nishimura Fumichika , Kakiuchi Chihiro , Tochigi Mamoru , Ohashi Jun , Aoki Naoto , Kato Kayoko , Ishiura Hiroyuki , Mitsui Jun , Tsuji Shoji , Doi Koichiro , Yoshimura Jun , Morishita Shinichi , Shimada Takafumi , Furukawa Masaomi , Umekage Tadashi , Sasaki Tsukasa , Kasai Kiyoto , KanoMD, PhD1 Yukiko
Published: June 2017

Tourette Syndrome (TS) is a neurodevelopmental disorder characterized by chronic motor and vocal tics. Although there is a large genetic contribution, the genetic architecture of TS remains unclear. Exome sequencing has successfully revealed the contribution of de novo mutations in sporadic cases with neuropsychiatric disorders such as autism and schizophrenia. Here, using exome sequencing, we investigated de novo mutations in individuals with sporadic TS to identify novel risk loci and elucidate the genetic background of TS. Exome analysis was conducted for sporadic TS cases: nine trio families and one quartet family with concordant twins were investigated. Missense mutations were evaluated using functional prediction algorithms, and their population frequencies were calculated based on three public databases. Gene expression patterns in the brain were analyzed using the BrainSpan Developmental Transcriptome. Thirty de novo mutations, including four synonymous and four missense mutations, were identified. Among the missense mutations, one in the rapamycin‐insensitive companion of mammalian target of rapamycin (RICTOR)‐coding gene (rs140964083: G > A, found in one proband) was predicted to be hazardous. In the three public databases analyzed, variants in the same SNP locus were absent, and variants in the same gene were either absent or present at an extremely low frequency (3/5,008), indicating the rarity of hazardous RICTOR mutations in the general population. The de novo variant of RICTOR may be implicated in the development of sporadic TS, and RICTOR is a novel candidate factor for TS etiology.
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

Es 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

Das 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

DDT (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

A 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

The 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

Readily 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

The 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

This 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

There 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

Although 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.
Efficient and selective oxidation of alcohols in water employing palladium supported nanomagnetic Fe3O4@hyperbranched polyethylenimine (Fe3O4@HPEI.Pd) as a new organic–inorganic hybrid nanocatalyst
Authors: Ramazani Ali , Khoobi Mehdi , Sadri Fariba , Tarasi Roghayeh , Shafiee Abbas , Aghahosseini Hamideh , Joo Sang Woo
Published: June 2017

Palladium immobilized magnetic nanoFe3O4@hyperbranched polyethylenimine (Fe3O4@HPEI.Pd) was prepared according to a simple and cost effective pathway and it was employed as a new efficient and selective organic–inorganic hybrid nanocatalyst for the aqueous oxidation of primary and secondary alcohols to their corresponding products in good yields applying oxone (potassium hydrogen monopersulfate) and H2O2 as an oxidant at room temperature. Moreover, the catalytic system was reused at least 13 times without significant loss of activity. The complete characterization of this efficient nanocatalyst was investigated by FTIR, UV–Vis, TEM, SEM, XRD, TGA, VSM, ICP and EDX techniques.
The mood of Chinese Pop music: Representation and recognition
Authors: Hu Xiao , Yang Yi‐Hsuan
Published: June 2017

Music mood recognition (MMR) has attracted much attention in music information retrieval research, yet there are few MMR studies that focus on non‐Western music. In addition, little has been done on connecting the 2 most adopted music mood representation models: categorical and dimensional. To bridge these gaps, we constructed a new data set consisting of 818 Chinese Pop (C‐Pop) songs, 3 complete sets of mood annotations in both representations, as well as audio features corresponding to 5 distinct categories of musical characteristics. The mood space of C‐Pop songs was analyzed and compared to that of Western Pop songs. We also explored the relationship between categorical and dimensional annotations and the results revealed that one set of annotations could be reliably predicted by the other. Classification and regression experiments were conducted on the data set, providing benchmarks for future research on MMR of non‐Western music. Based on these analyses, we reflect and discuss the implications of the findings to MMR research.
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

A 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

Cynomolgus 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.
Summer doesn't mean downtime for campus safety leaders
Authors: Miles David
Published: June 2017

The end of the academic year has concluded and hopefully everyone is starting to enjoy the summer and finding time for some much‐needed rest and relaxation.
Ensure campus threat assessment team understands role of various psychological issues
Authors: McCarthy Claudine
Published: June 2017

ORLANDO, Fla. — The vast majority of those with mental illness aren't violent or dangerous, but the majority of individuals who disturb or disrupt campus communities do suffer from mental illness, said John Dunkle, Ph.D., executive director of counseling and psychological services at Northwestern University. He spoke at Stetson University's National Conference on Law and Higher Education.
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

Hybrid 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

In 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.
Multivalent and Photoresponsive Assembly of Dual‐Cavity Baskets in Water
Authors: Wang Lu , Neal Taylor , Chen Shigui , Badjić Jovica D.
Published: June 2017

Large unilamellar vesicles [1]n, composed of bolaamphiphilic baskets 1, were found to complex photoresponsive guest 3 and divalent 4 to, respectively, give stable vesicular assemblies [12–3]n and [12–43]n. With the assistance of 1H NMR spectroscopy, electron microscopy, and dynamic light scattering, it was deduced that [12–3]n vesicles comprise ternary [12–3] organized into a curved membrane in which a pair of baskets entraps a laterally positioned dicationic 3. In the case of [12–43]n vesicles, however, the spectroscopic results suggest that three guest molecules 4 insert vertically between four baskets 1 to give pentanary [12–43] packed into the membrane of [12–43]n. Importantly, nanostructured [12–3]n and [12–43]n retain rhodamine B (RhB) in their reservoir (fluorescence microscopy) and can be switched from one into another using UV light, with a disproportionate release of RhB dye. The reported complexes, organized into photoresponsive capsular materials, are rather unprecedented, demonstrating the potential of multivalency for creating functional structures of great interest in the areas of catalysis and delivery.
New Ruthenium‐Based Probes for Selective G‐Quadruplex Targeting
Authors: Piraux Guillaume , Bar Laure , Abraham Michaël , Lavergne Thomas , Jamet Hélène , Dejeu Jérôme , Marcélis Lionel , Defrancq Eric , Elias Benjamin
Published: June 2017

Telomeric regions containing G‐quadruplex (G4) structures play a pivotal role in the development of cancers. The development of specific binders for G4s is thus of great interest in order to gain a deeper understanding of the role of these structures, and to ultimately develop new anticancer drug candidates. For several years, RuII complexes have been studied as efficient probes for DNA. Interest in these complexes stems mainly from the tunability of their structures and properties, and the possibility of using light excitation as a tool to probe their environment or to selectively trigger their reaction with a biological target. Herein, we report on the synthesis and thorough study of new RuII complexes based on a novel dipyrazino[2,3‐a:2′,3′‐h]phenazine ligand (dph), obtained through a Chichibabin‐like reaction. Luminescence experiments, surface plasmon resonance (SPR), and computational studies have demonstrated that these complexes behave as selective probes for G‐quadruplex structures.
Enhancing Catalytic Activity of Bioanode for Glucose Biofuel Cell by Compressing Enzyme, Mediator and Carbon Support through Centrifugation
Authors: Tan Desmond Chun Long , Sato Hirotaka
Published: June 2017

In this study, the fabrication of a graphene‐based bioanode utilizing ferrocenemethanol as mediator and glucose oxidase as enzyme catalyst through centrifugation was demonstrated. The enhanced in catalytic activity for glucose oxidation was achieved via centrifuge compressing respective components within the mixture. The glucose/O2 biofuel cell (GBFC) was assembled by having the bioanode integrated with Pt wire as cathode. The GBFC produced maximum power density and open circuit voltage of approximately 70 μW cm−2 and 0.38 V.
Simultaneous Visualization and Quantitation of Multiple Steroid Hormones Based on Signal‐Amplified Biosensing with Duplex Molecular Recognition
Authors: Tan Yaning , Hu Xiaoxia , Liu Meng , Liu Xinwen , Lv Xiaobo , Li Zhihao , Wang Jie , Yuan Quan
Published: June 2017

The simultaneous quantitation of multiple steroid hormones in real time is of great importance in medical diagnosis. In this study, a portable hormone biosensor based on duplex molecular recognition coupled with a signal‐amplified substrate was successfully developed for the simultaneous visualization and quantitation of multiple steroid hormones. Aptamer‐functionalized upconversion nanoparticles (UCNPs) with different emission peaks are immobilized on the photonic crystal (PC) substrate as the nanoprobes, leading to the specific and simultaneous assay of multiple steroid hormones. Coupled with the luminescence‐enhanced effect of the PC substrate, nanomolar quantification limits of multiple hormones are achieved. This well‐designed biosensor is also promising in the quantification of multiple hormones in serum samples. The amplified luminescence signals can be visualized with the naked eye and captured by an unmodified phone camera. This hormone quantitation biosensor exhibits the advantages of multi‐detection, visualization, high sensitivity, and selectivity for potential applications in clinical disease diagnosis.