bluuebunny/crossref_metadata_2025_split huggingface dataset:
No change in energy efficiency in lactation: Insights from a longitudinal study
Authors: Bender Richard L. , Williams Heather S. , Dufour Darna L. 
Published: August 2017

AbstractObjectivesLactation is the most energy‐demanding phase of reproduction for human females, but it is still unclear how women in different environments are able to meet this additional energy demand. Previous studies have investigated whether changes in metabolism could have an energy‐sparing effect in lactation, with conflicting results. Here, we asked whether increased energy efficiency in physical activity serves as an energy‐sparing mechanism in lactation.MethodsWe used a longitudinal design with a control group. Participants were 33 well‐nourished, exclusively breastfeeding women and 29 non‐pregnant, non‐lactating (NPNL) controls aged 32 ± 4 years. Lactating women were measured at peak‐ and post‐lactation. NPNL controls completed a baseline measurement and a follow‐up visit. Energy efficiency in physical activity was assessed using a graded submaximal exercise test and calculated as delta efficiency (change in work accomplished over change in energy expended) and gross efficiency (work accomplished over energy expended).ResultsThere was no significant change in either delta efficiency or gross efficiency from peak to post lactation in lactating women, and no significant difference in delta efficiency between lactating women and NPNL controls at any time period. However, lactating women showed greater between‐visit variation in delta efficiency than the NPNL controls. Additionally, 79% of lactating participants lost weight between visits (mean weight loss −3.6 ± 2.3kg), consistent with a mobilization of body tissues to support lactation.ConclusionWe found no support for the idea that lactating women undergo an increase in energy efficiency to support the energy costs of lactation.
A Semi‐Synthetic Glycoconjugate Vaccine Candidate for Carbapenem‐Resistant Klebsiella pneumoniae
Authors: Seeberger Peter H. , Pereira Claney L. , Khan Naeem , Xiao Guozhi , Diago‐Navarro Elizabeth , Reppe Katrin , Opitz Bastian , Fries Bettina C. , Witzenrath Martin 
Published: August 2017

AbstractHospital‐acquired infections are an increasingly serious health concern. Infections caused by carpabenem‐resistant Klebsiella pneumoniae (CR‐Kp) are especially problematic, with a 50 % average survival rate. CR‐Kp are isolated from patients with ever greater frequency, 7 % within the EU but 62 % in Greece. At a time when antibiotics are becoming less effective, no vaccines to protect from this severe bacterial infection exist. Herein, we describe the convergent [3+3] synthesis of the hexasaccharide repeating unit from its capsular polysaccharide and related sequences. Immunization with the synthetic hexasaccharide 1 glycoconjugate resulted in high titers of cross‐reactive antibodies against CR‐Kp CPS in mice and rabbits. Whole‐cell ELISA was used to establish the surface staining of CR‐Kp strains. The antibodies raised were found to promote phagocytosis. Thus, this semi‐synthetic glycoconjugate is a lead for the development of a vaccine against a rapidly progressing, deadly bacterium.
Targeting the Genome‐Stability Hub Ctf4 by Stapled‐Peptide Design
Authors: Wu Yuteng , Villa Fabrizio , Maman Joseph , Lau Yu Heng , Dobnikar Lina , Simon Aline C. , Labib Karim , Spring David R. , Pellegrini Luca 
Published: August 2017

AbstractThe exploitation of synthetic lethality by small‐molecule targeting of pathways that maintain genomic stability is an attractive chemotherapeutic approach. The Ctf4/AND‐1 protein hub, which links DNA replication, repair, and chromosome segregation, represents a novel target for the synthetic lethality approach. Herein, we report the design, optimization, and validation of double‐click stapled peptides encoding the Ctf4‐interacting peptide (CIP) of the replicative helicase subunit Sld5. By screening stapling positions in the Sld5 CIP, we identified an unorthodox i,i+6 stapled peptide with improved, submicromolar binding to Ctf4. The mode of interaction with Ctf4 was confirmed by a crystal structure of the stapled Sld5 peptide bound to Ctf4. The stapled Sld5 peptide was able to displace the Ctf4 partner DNA polymerase α from the replisome in yeast extracts. Our study provides proof‐of‐principle evidence for the development of small‐molecule inhibitors of the human CTF4 orthologue AND‐1.
Direct and Stereospecific [3+2] Synthesis of Pyrrolidines from Simple Unactivated Alkenes
Authors: Otero‐Fraga Jorge , Suárez‐Pantiga Samuel , Montesinos‐Magraner Marc , Rhein Dennis , Mendoza Abraham 
Published: August 2017

AbstractPyrrolidines are important heterocyclic compounds with endless applications in organic synthesis, metal catalysis, and organocatalysis. Their potential as ligands for first‐row transition‐metal catalysts inspired a new method to access complex poly‐heterocyclic pyrrolidines in one step from available materials. This fundamental step forward is based on the discovery of an essential organoaluminum promoter that engages unactivated and electron‐rich olefins in intermolecular [3+2] cycloadditions.
Wacker‐Type Oxidation Using an Iron Catalyst and Ambient Air: Application to Late‐Stage Oxidation of Complex Molecules
Authors: Liu Binbin , Jin Fengli , Wang Tianjiao , Yuan Xiaorong , Han Wei 
Published: August 2017

AbstractA practical and general iron‐catalyzed Wacker‐type oxidation of olefins to ketones is presented, and it uses ambient air as the sole oxidant. The mild oxidation conditions enable exceptional functional‐group tolerance, which has not been demonstrated for any other Wacker‐type reaction to date. The inexpensive and nontoxic reagents [iron(II) chloride, polymethylhydrosiloxane, and air] can, therefore, also be employed to oxidize complex natural‐product‐derived and polyfunctionalized molecules.
Solvatation als Ursache für die unerwartete Nucleophilie‐Reihung von Peroxid‐Anionen
Authors: Mayer Robert J. , Tokuyasu Takahiro , Mayer Peter , Gomar Jérôme , Sabelle Stéphane , Mennucci Benedetta , Mayr Herbert , Ofial Armin R. 
Published: August 2017

AbstractDie nucleophilen Reaktivitäten (N, sN) von Peroxid‐Anionen (aus aromatischen und aliphatischen Persäuren oder Alkylhydroperoxiden generiert) wurden durch Messung der Kinetik ihrer Reaktionen mit Benzhydrylium‐Ionen (Ar2CH+) in alkalischer wässriger Lösung bei 20 °C bestimmt. Überraschenderweise reagieren die Peroxycarboxylate RCO3− trotz ihrer deutlich geringeren Brønsted‐Basizität viel schneller als die Alkylperoxid‐Anionen ROO−. Einsetzen der Geschwindigkeitskonstanten ihrer Reaktionen mit Benzhydrylium‐Ionen in die lineare Freie‐Energie‐Beziehung lg k=sN(N+E) lieferte die Nucleophilie‐Parameter (N, sN) der Peroxid‐Anionen, die es ermöglichten, Geschwindigkeiten von Weitz‐Scheffer‐Epoxidierungen vorherzusagen. Um die beobachtete Reaktivitätsreihung zu erklären, wurden DFT‐Rechnungen durchgeführt, wobei Lösungsmitteleffekte durch die “Integral‐Equation‐Formalism”‐Version des “Polarizable Continuum Model” berücksichtigt wurden.
Reagent‐Free C−H/N−H Cross‐Coupling: Regioselective Synthesis of N‐Heteroaromatics from Biaryl Aldehydes and NH3
Authors: Zhao Huai‐Bo , Liu Zhan‐Jiang , Song Jinshuai , Xu Hai‐Chao 
Published: August 2017

AbstractAn unprecedented synthesis of N‐heteroaromatics from biaryl aldehydes and NH3 through reagent‐free C−H/N−H cross‐coupling has been developed. The electrosynthesis uses NH3 as an inexpensive and atom‐economic nitrogen donor, requires no oxidizing agents, and allows efficient and regioselective access to a wide range of phenanthridines and structurally related polycyclic N‐heteroaromatic products.
Electroless Formation of Hybrid Lithium Anodes for Fast Interfacial Ion Transport
Authors: Choudhury Snehashis , Tu Zhengyuan , Stalin Sanjuna , Vu Duylinh , Fawole Kristen , Gunceler Deniz , Sundararaman Ravishankar , Archer Lynden A. 
Published: August 2017

AbstractRechargeable batteries based on metallic anodes are of interest for fundamental and application‐focused studies of chemical and physical kinetics of liquids at solid interfaces. Approaches that allow facile creation of uniform coatings on these metals to prevent physical contact with liquid electrolytes, while enabling fast ion transport, are essential to address chemical instability of the anodes. Here, we report a simple electroless ion‐exchange chemistry for creating coatings of indium on lithium. By means of joint density functional theory and interfacial characterization experiments, we show that In coatings stabilize Li by multiple processes, including exceptionally fast surface diffusion of lithium ions and high chemical resistance to liquid electrolytes. Indium coatings also undergo reversible alloying reactions with lithium ions, facilitating design of high‐capacity hybrid In‐Li anodes that use both alloying and plating approaches for charge storage. By means of direct visualization, we further show that the coatings enable remarkably compact and uniform electrodeposition. The resultant In‐Li anodes are shown to exhibit minimal capacity fade in extended galvanostatic cycling when paired with commercial‐grade cathodes.
Solvation Accounts for the Counterintuitive Nucleophilicity Ordering of Peroxide Anions
Authors: Mayer Robert J. , Tokuyasu Takahiro , Mayer Peter , Gomar Jérôme , Sabelle Stéphane , Mennucci Benedetta , Mayr Herbert , Ofial Armin R. 
Published: August 2017

AbstractThe nucleophilic reactivities (N, sN) of peroxide anions (generated from aromatic and aliphatic peroxy acids or alkyl hydroperoxides) were investigated by following the kinetics of their reactions with a series of benzhydrylium ions (Ar2CH+) in alkaline aqueous solutions at 20 °C. The second‐order rate constants revealed that deprotonated peroxy acids (RCO3−), although they are the considerably weaker Brønsted bases, react much faster than anions of aliphatic hydroperoxides (ROO−). Substitution of the rate constants of their reactions with benzhydrylium ions into the linear free energy relationship lg k=sN(N+E) furnished nucleophilicity parameters (N, sN) of peroxide anions, which were successfully applied to predict the rates of Weitz–Scheffer epoxidations. DFT calculations with inclusion of solvent effects by means of the Integral Equation Formalism version of the Polarizable Continuum Model were performed to rationalize the observed reactivities.
In‐line monitoring of jute fiber–reinforced poly(lactic acid) composite subjected to impact loading using infrared thermography
Authors: Boccardi Simone , Carlomagno Giovanni Maria , Meola Carosena , Russo Pietro , Simeoli Giorgio 
Published: August 2017

ABSTRACTPoly(lactic acid) (PLA) is receiving ever more attention from both the academic and the industrial communities because it is green, biobased, and complies well with requirements for work safety and environmental safeguards. However, a question may arise regarding the suitability of PLA in replacing conventional plastics. The response requires a complete material characterization and analysis of its performance in service and its resistance to impact loads. This work is focused on monitoring with infrared thermography the impact damage of a biobased thermoplastic composite, in this case a poly(lactic acid) (PLA) matrix reinforced with jute fibers. The visualization of thermal signatures that develop under impact supplies information useful to understanding the material impact damage mechanisms, such as formation of cracks and their propagation and the overall extension of damage. © 2017 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2017, 134, 45579.
Microstructural investigation of butt‐fusion joint in high‐density polyethylene pipes using wide‐ and small‐angle X‐ray scattering
Authors: Kang Min Kwan , Choi Sunwoong , Song Hyun Hoon 
Published: August 2017

ABSTRACTThe melt fusion zone (MFZ) of polyethylene pipe was investigated employing synchrotron wide‐ and small‐angle X‐ray scattering at various locations in MFZ by changing X‐ray incidence angles to probe three‐dimensional structural features. It was determined that the crystals were oriented in two different modes. One is that the polymer chains are oriented parallel to the joint interface line consistently throughout the MFZ. The other is that the crystals are oriented in particular directions depending on the positions in MFZ. The combination of pressure and melt flow during joining process resulted in such a complex structure. It was notable that the boundary of MFZ against the base material was found to be very different depending on the structures involved such as crystallographic unit orientation, lamellae orientation, crystallinity, and spherulitic morphology. © 2017 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2018, 135, 45668.
Iron–Cobalt Phosphomolybdate with High Electrocatalytic Activity for Oxygen Evolution Reaction
Authors: Zhai Haoying , Gao Taotao , Qi Ting , Zhang Yajie , Zeng Guangfeng , Xiao Dan 
Published: August 2017

AbstractIron–cobalt phosphomolybdate (FeCoPM12) nanoparticles, which are highly efficient catalytic materials for the oxygen evolution reaction (OER), were fabricated through a coprecipitation route. Compared with iron–cobalt hydroxide and state‐of‐the‐art RuO2 electrocatalysts, the as‐prepared FeCoPM12 sample exhibited robust OER catalytic activity with a low overpotential of 258 mV at a current density of 10 mA cm−2 and a small Tafel slope of 33 mV dec−1. Moreover, the as‐synthesized sample presented preferable stability and after 10 h at 1.52 V the current density degraded by merely 8.3 %. This is ascribed to the high electrochemical stability and small porous structure of FeCoPM12, which provide effective electron transmission and improve the catalytic performance for OER in alkaline media.
Modulatory Functionalization of Gold Nanorods Using Supramolecular Assemblies
Authors: Jeong Sundo , Park Hongrual , Seon Dongmin , Choi Jongwan , Hong Ki Bum , Lee Jiseok , Kim Chaekyu , Kim Jung‐Keun , Park Myoung‐Hwan 
Published: August 2017

AbstractSupramolecular‐assembly‐mediated functionalization of gold nanorods (GNRs) has been developed by reversible phase transfer between water and oils, which offers a facile method for fabricating robust GNRs with surface‐charge tunability. In this regard, trimethylammonium (TMA) GNRs were initially prepared from conventional cetyltrimethylammonium bromide (CTAB) GNRs by means of a ligand‐exchange reaction in the presence of an excess amount of TMA ligands. To further expand their functionality and potential applications, electrostatic assemblies of positively charged TMA‐GNRs with negatively charged oleate ions were prepared. These assemblies (OA‐GNRs) can undergo facile phase transfer from water to hexane. Interestingly, the reversible electrostatic assembly between the TMA and OA ions fabricated onto GNRs can be easily disrupted by treatment with HCl, which removes the OA ions from the GNRs to re‐form the TMA‐GNRs, which can be made soluble in aqueous media again. In addition, OA‐GNRs can be further used for the synthesis of negatively charged GNRs such as 11‐mercaptoundecanoic acid (MUA) GNRs, which are hard to prepare directly from CTAB‐GNRs. This versatile method for phase transfer and functionalization on GNRs is expected to broaden the scope of their applications in sensing, biomedical imaging, photothermal therapies, and drug delivery systems.
Catalytic Conversion of Dinitrogen into Ammonia under Ambient Reaction Conditions by Using Proton Source from Water
Authors: Tanabe Yoshiaki , Arashiba Kazuya , Nakajima Kazunari , Nishibayashi Yoshiaki 
Published: August 2017

AbstractMolybdenum‐catalyzed conversion of molecular dinitrogen into ammonia under ambient reaction conditions has been achieved by using a proton source generated in situ from the ruthenium‐catalyzed oxidation of water in combination with visible light and a photosensitizer. The preset reaction system is considered as a new model for the nitrogen fixation by photosynthetic bacteria.
Graphene Oxide as a Carbocatalyst for a Diels–Alder Reaction in an Aqueous Medium
Authors: Girish Yarabhally R. , Pandit Subrata , Pandit Subhendu , De Mrinmoy 
Published: August 2017

AbstractThe Diels–Alder (DA) reaction, a [4+2] cycloaddition reaction, is highly important in synthetic organic chemistry and is frequently used in the synthesis of natural products containing six‐membered rings. Herein, we report an efficient protocol for the DA reaction between 9‐hydroxymethylanthracene and N‐substituted maleimides using two‐dimensional graphene oxide (GO) as a heterogeneous carbocatalyst in an aqueous medium at room temperature. High yields, a wide substrate scope, low temperature, excellent functional group tolerance, atom economy, and water as a green solvent are noteworthy features of this protocol. The heterogeneous GO catalyst can be easily recovered and used multiple times without any significant loss in catalytic activity.
Zustandserfassung von Stahlbauwerken mithilfe akustischer und elektromagnetischer Verfahren der ZfP
Authors: Boller Christian , Fox Christian , Starke Peter , Wu Haoran , Doktor Markus , Kurz Wolfgang 
Published: August 2017

AbstractIn dem Beitrag wird dargestellt, wie man mit Verfahren der zerstörungsfreien Prüfung (ZfP) Baustähle hinsichtlich ihrer mechanischen Eigenschaften wie auch ihres Schädigungsgrads im anrissfreien Stadium charakterisieren kann. Bei den angewandten ZfP‐Verfahren handelt es sich um den Ultraschall und die Elektromagnetik. Mit der Elektromagnetik lassen sich Baustähle hinsichtlich ihrer Festigkeitsklassen unterscheiden, während mit Ultraschall mechanische Spannungen ermittelt werden, die wiederum als Basis für die Rückrechnung von Schnittgrößen herangezogen werden können. Das vorgestellte Verfahren SteBLife ermöglicht mit nur einer einzigen Werkstoffprobe die Ermittlung einer kompletten Werkstoffwöhlerlinie und unter Anwendung der ZfP‐Verfahren sogar den kompletten nichtlinearen Schadensakkumulationsprozess. Statistische Verfahren runden den Prozess der Evaluierung ab. Die vorgestellten Verfahren bilden die Basis für einen Paradigmensprung im Management alternder Stahlinfrastruktur.
Preliminary results on the photoluminescence and optically stimulated luminescence in Cu‐doped and Ag‐doped ZnB2X4 (B = Li, Na, K: X = Cl, Br) compounds
Authors: Jog Milind , Patil Rajesh , More Yogesh , Kulkarni Mukund , Moharil Sanjiv 
Published: August 2017

AbstractPhotoluminescence, and optically stimulated luminescence in ZnB2X4 (B; Li,Na,K: X; Cl,Br) compounds doped with Cu+ or Ag+ were studied. Double humped emission bands attributable to the activators were observed in all the samples. The observed photoluminescence of Cu+ and Ag+ could be identified with 3d94s1↔3d10 and 4d95s1↔5d10 transitions respectively. The longer wavelength band (400–500 nm range) could be attributed to the Cu+ or Ag+ ion replacing alkali ion at the octahedral alkali site whereas short wavelength band (340–400 nm range) is attributed to a Cu or Ag ion at tetrahedral zinc site. The short wavelength band was found to be intense compared with long wavelength and gave an indication that most of the Cu or Ag ions prefered a tetrahedral Zn site compared with the octahedral alkali site. All the samples exhibit optically stimulated luminescence (OSL). The sensitivity was found to be lattice dependent. The lowest sensitivity of about 1% compared with Al2O3:C was observed in lithium lattices whereas highest the sensitivity of about 290% was observed in the case of Cu‐doped ZnNa2Br4.
Silica‐modified luminescent LaPO4:Eu@LaPO4@SiO2 core/shell nanorods: Synthesis, structural and luminescent properties
Authors: Ansari Anees A. 
Published: August 2017

AbstractMonoclinic‐type tetragonal LaPO4:Eu (core) and LaPO4:Eu@LaPO4 (core/shell) nanorods (NRs) were successfully prepared using a urea‐based co‐precipitation process under ambient conditions. An amorphous silica layer was coated around the luminescent core/shell NRs via the sol–gel process to improve their solubility and colloidal stability in aqueous and non‐aqueous media. The prepared nano‐products were systematically characterized by X‐ray diffraction pattern, transmission electron microscopy, energy dispersive X‐ray analysis, and FTIR, UV/Vis, and photoluminescence spectroscopy to examine their phase purity, crystal phase, surface chemistry, solubility and luminescence characteristics. The length and diameter of the nano‐products were in the range 80–120 nm and 10–15 nm, respectively. High solubility of the silica‐modified core/shell/Si NRs was found for the aqueous medium. The luminescent core NRs exhibited characteristic excitation and emission transitions in the visible region that were greatly affected by surface growth of insulating LaPO4 and silica layers due to the multiphonon relaxation rate. Our luminescence spectral results clearly show a distinct difference in intensities for core, core/shell, and core/shell/Si NRs. Highly luminescent NRs with good solubility could be useful candidates for a variety of photonic‐based biomedical applications.
The combination of digoxin and GSK2606414 exerts synergistic anticancer activity against leukemia in vitro and in vivo
Authors: Zhang Xue‐Hong , Wang Xin‐Yu , Zhou Zhi‐Wei , Bai Hua , Shi Lin , Yang Yin‐Xue , Zhou Shu‐Feng , Zhang Xiao‐Chun 
Published: August 2017

AbstractDigoxin is a member of cardiac glycosides and recent studies show that digoxin plays anticancer role in several types of cancer. However, the anticancer effects and mechanism of digoxin in leukemia is largely unknown. Her, our data show that digoxin treatment significantly inhibits leukemia cell viability. In addition, digoxin treatment significantly induced apoptosis and G2/M cell cycle arrest in leukemia cells. Furthermore, we demonstrated that digoxin treatment inactivate that oncogenic pathway Akt/mTOR signaling in leukemia cells. In addition, our data show that digoxin treatment induces activation of unfolded protein response (UPR) signaling in leukemia cells. Interestingly, our in vitro and in vivo experiments show that combination treatment of digoxin and UPR inhibitor can synergistically suppress leukemia growth and induces apoptosis and cell cycle arrest compared to single drug treatment. In summary, our findings indicate that digoxin has potential anticancer effects on leukemia. The combination of digoxin and UPR signaling inhibitor can exerts synergistic anticancer activity against leukemia. © 2017 BioFactors, 43(6):812–820, 2017
“A few bad apples” or “rotten to the core”: Perceptions of corporate culture drive brand engagement after corporate scandal
Authors: Guckian Meaghan L. , Chapman Daniel A. , Lickel Brian , Markowitz Ezra M. 
Published: August 2017

AbstractFollowing unethical corporate behavior, consumers face decisions on how to engage with brands in the future. Consumers' beliefs about the underlying causes of a corporate scandal may influence future patronage intentions, for example, by influencing perceived likelihood of future wrongdoing. We investigated how beliefs about corporate culture and consumer proximity to the recent Volkswagen diesel emissions scandal influence expectations of future ethical action by Volkswagen Group (VW), feelings of anger, and future brand engagement. Results indicate that beliefs about corporate culture and proximity each independently influence future brand engagement. Specifically, owners who believed “a few bad apples” (rather than a “rotten” corporate culture) caused the scandal reported higher expectations of future ethical action by VW, less anger, and more positive intentions to engage with VW in the future. Those more proximately affected by the scandal, that is, turbocharged direct injection owners, were more likely to be angry and less likely to engage with VW. Expectation of future ethical action and anger mediated the effects of corporate culture on engagement, whereas only anger mediated the effects of proximity. This small set of factors accounted for over half of the observed variance in future brand engagement intentions, highlighting the importance of understanding consumer responses to corporate scandal.