bluuebunny/crossref_metadata_2025_split huggingface dataset:
Tensile properties and interfacial adhesion of silicone rubber/polyethylene blends by reactive blending
Authors: Matsuura Kana , Saito Hiromu 
Published: January 2018

ABSTRACTTwo‐phase blends of silicone rubber (SR) and linear low density polyethylene (LLDPE) were prepared by reactive blending using peroxide crosslinking agent of SR. The tensile strength and elastic modulus of the SR were found to be increased by reactive blending with LLDPE without sacrifice of the elongation. The improvement of the tensile properties is attributed to the strong adhesion at the interface between SR matrix and LLDPE domain due to the chemical reaction by peroxide. The observation by polarized optical microscopies revealed that the debonding did not occur at the interface, but the LLDPE domains were elongated to longer one. Despite the elongation of the LLDPE domain, the blends exhibited good deformation recoverability. © 2018 Wiley Periodicals, Inc. J. Appl. Polym. Sci.2018,135, 46192.
Solvent Impedes CO2 Cycloaddition on Metal–Organic Frameworks
Authors: Shao Dan , Shi Jinbiao , Zhang Jianling , Tan Xiuniang , Luo Tian , Cheng Xiuyan , Zhang Bingxing , Han Buxing 
Published: January 2018

AbstractThe catalytic performance of metal–organic frameworks (MOFs) for the synthesis of cyclic carbonate from carbon dioxide and epoxides has been explored under solvent and solvent‐free conditions, respectively. It was found that MOF catalysts have significantly improved catalytic activities in solvent‐free CO2 cycloaddition reactions than those in solvent. The mechanism was discussed with regard to the competition of solvent with substrate to adhere MOF catalysts during the reaction process.
Pomegranate‐Structured Silica/Sulfur Composite Cathodes for High‐Performance Lithium–Sulfur Batteries
Authors: Choi Sinho , Su Dawei , Shin Myoungsoo , Park Soojin , Wang Guoxiu 
Published: January 2018

AbstractPorous materials have many structural advantages for energy storage and conversion devices such as rechargeable batteries, supercapacitors, and fuel cells. When applied as a host material in lithium‐sulfur batteries, porous silica materials with a pomegranate‐like architecture can not only act as a buffer matrix for accommodating a large volume change of sulfur, but also suppress the polysulfide shuttle effect. The porous silica/sulfur composite cathodes exhibit excellent electrochemical performances including a high specific capacity of 1450 mA h g−1, a reversible capacity of 82.9 % after 100 cycles at a rate of C/2 (1 C=1672 mA g−1) and an extended cyclability over 300 cycles at 1 C‐rate. Furthermore, the high polysulfide adsorption property of porous silica has been proven by ex‐situ analyses, showing a relationship between the surface area of silica and polysulfide adsorption ability. In particular, the modified porous silica/sulfur composite cathode, which is treated by a deep‐lithiation process in the first discharge step, exhibits a highly reversible capacity of 94.5 % at 1C‐rate after 300 cycles owing to a formation of lithiated‐silica frames and stable solid‐electrolyte‐interphase layers.
Biocatalytic Synthesis of Nitriles through Dehydration of Aldoximes: The Substrate Scope of Aldoxime Dehydratases
Authors: Betke Tobias , Higuchi Jun , Rommelmann Philipp , Oike Keiko , Nomura Taiji , Kato Yasuo , Asano Yasuhisa , Gröger Harald 
Published: January 2018

AbstractNitriles, which are mostly needed and produced by the chemical industry, play a major role in various industry segments, ranging from high‐volume, low‐price sectors, such as polymers, to low‐volume, high‐price sectors, such as chiral pharma drugs. A common industrial technology for nitrile production is ammoxidation as a gas‐phase reaction at high temperature. Further popular approaches are substitution or addition reactions with hydrogen cyanide or derivatives thereof. A major drawback, however, is the very high toxicity of cyanide. Recently, as a synthetic alternative, a novel enzymatic approach towards nitriles has been developed with aldoxime dehydratases, which are capable of converting an aldoxime in one step through dehydration into nitriles. Because the aldoxime substrates are easily accessible, this route is of high interest for synthetic purposes. However, whenever a novel method is developed for organic synthesis, it raises the question of substrate scope as one of the key criteria for application as a “synthetic platform technology”. Thus, the scope of this review is to give an overview of the current state of the substrate scope of this enzymatic method for synthesizing nitriles with aldoxime dehydratases. As a recently emerging enzyme class, a range of substrates has already been studied so far, comprising nonchiral and chiral aldoximes. This enzyme class of aldoxime dehydratases shows a broad substrate tolerance and accepts aliphatic and aromatic aldoximes, as well as arylaliphatic aldoximes. Furthermore, aldoximes with a stereogenic center are also recognized and high enantioselectivities are found for 2‐arylpropylaldoximes, in particular. It is further noteworthy that the enantiopreference depends on the E and Z isomers. Thus, opposite enantiomers are accessible from the same racemic aldehyde and the same enzyme.
Nitrogen‐Doped Ta2O5 Nanocomposites for the Electrocatalytic Reduction of Carbon Dioxide to CO with Photoassistance
Authors: Zhang Miao , Hou Pengfei , Wang Zhuo , Kang Peng 
Published: January 2018

AbstractElectrocatalytic reduction of CO2 to CO was achieved by using nitrogen‐doped Ta2O5, and the faradaic efficiency of CO reached 87.5 % at −0.73 V vs. RHE, whereas undoped Ta2O5 or “fully doped” Ta3N5 only yields H2. Nitrogen‐doped Ta2O5 was also a catalyst for photoassisted electrocatalytic CO2 reduction, and the total light‐to‐chemical efficiency reached 2.73 %.
Sulfur‐Linked Covalent Triazine Frameworks Doped with Coordinatively Unsaturated Cu(I) as Electrocatalysts for Oxygen Reduction
Authors: Iwase Kazuyuki , Kamiya Kazuhide , Miyayama Masaru , Hashimoto Kazuhito , Nakanishi Shuji 
Published: January 2018

AbstractThis work confirms a trade‐off relationship between the high redox potential of Cu and the oxygen‐binding ability of Cu‐based oxygen reduction reaction (ORR) electrocatalysts. As the ORR is mediated by Cu(I) species, a positive shift of the Cu(II/I) potential is required to increase the ORR onset potential. However, the ready simultaneous autoreduction of Cu(II) to Cu(I) in Cu complexes, owing to high redox potentials, results in the formation of a closed tetrahedral configuration that is inactive for O2 adsorption and, therefore, for the ORR. To mitigate this problem, we synthesized a Cu‐modified S‐linked covalent triazine framework (Cu−S‐CTF) as an electrocatalyst for the ORR in neutral solutions. The Cu(I) ions in this material have a distorted three‐coordinated structure with accessible coordination sites for O2, because the inflexibility of the CTF suppresses the formation of the tetrahedral configuration. The ORR onset potential of Cu−S‐CTF was 880 mV versus a reversible hydrogen electrode at pH 7. This is the first example of an ORR electrocatalyst containing Cu sites with both high redox potential and oxygen‐binding ability.
Molecular Wire Effects in Phenyleneethynylene Oligomers: Surprising Insights
Authors: Hergert Marcel , Bender Markus , Seehafer Kai , Bunz Uwe H. F. 
Published: January 2018

AbstractThe synthesis and quenching behavior of a series of water‐soluble, carboxylate‐carrying phenyleneethynylene oligomers—monomer to tetramer—and their polymers are reported; their quenching behavior with different test analytes (paraquat, lead salts, mercury salts, picric acid, methylpyridinium iodide) in water were investigated, and the results were compared to that of the conjugated polymer. Significant but analyte‐dependent enhancement effects were found. For monovalent quenchers, only the molecular wire effect applies, but for divalent quenchers multivalency effects are also important.
Re(bpy)(CO)3Cl Immobilized on Bipyridine‐Periodic Mesoporous Organosilica for Photocatalytic CO2 Reduction
Authors: Waki Minoru , Yamanaka Ken‐ichi , Shirai Soichi , Maegawa Yoshifumi , Goto Yasutomo , Yamada Yuri , Inagaki Shinji 
Published: January 2018

AbstractThis paper describes the physicochemical properties of a rhenium (Re) complex [Re(bpy)(CO)3Cl] immobilized on a bipyridine‐periodic mesoporous organosilica (BPy‐PMO) acting as a solid support. The immobilized Re complex generated a metal‐to‐ligand charge transfer absorption band at 400 nm. This wavelength is longer than that exhibited by Re(bpy)(CO)3Cl in the polar solvent acetonitrile (371 nm) and is almost equal to that in nonpolar toluene (403 nm). The photocatalytic activity of this heterogeneous Re complex was lower than that of a homogeneous Re complex due to the reduced phosphorescence lifetime resulting from immobilization. However, the catalytic activity was enhanced by the co‐immobilization of the ruthenium (Ru) photosensitizer [Ru(bpy)3]2+ on the PMO pore surfaces. Quantum chemical calculations suggest that electron transfer between the Ru and Re complexes occurs through interactions between the molecular orbitals in the pore walls. These results should have applications to the design of efficient heterogeneous CO2 reduction photocatalysis systems.
Copper‐Catalyzed Regioselective Cleavage of C−X and C−H Bonds: A Strategy for Sulfur Dioxide Fixation
Authors: Yang Daoshan , Sun Pengfei , Wei Wei , Liu Fengjuan , Zhang Hui , Wang Hua 
Published: January 2018

AbstractThe first example of direct fixation of sulfur dioxide between heteroaryls and aryl halides has been developed via copper‐catalyzed regioselective cleavage of C−X and C−H bonds under base‐free and ligand‐free conditions by using DABSO (1,4‐diazabicyclo[2.2.2]octane bis(sulfur dioxide)) as a solid and bench‐stable sulfur dioxide surrogate. This mild protocol results in double C−S bond‐forming reactions from simple precursors in the absence of prefunctionalized organometallic reagents, arenediazonium salts, and iodonium salts which extends the still limited number of sulfur dioxide fixation strategies.
Isomerically Pure Star‐Shaped Triphenylene–Perylene Hybrids Involving Highly Extended π‐Conjugation
Authors: Nuin Edurne , Lloret Vicent , Amsharov Konstantin , Hauke Frank , Abellán Gonzalo , Hirsch Andreas 
Published: January 2018

AbstractThe synthesis and characterization of a new type of a highly conjugated heterocyclic π‐chromophore, consisting of a central triphenylene core fused with three perylene monoimide units (star‐shaped molecules), is described. By judicious bay functionalization with tert‐butylphenoxy substituents, aggregation was completely prevented by using 1,1,2,2‐tetrachloroethane, allowing for a straightforward purification and, for the very first time, the complete separation of the constitutional isomers by HPLC. Both isomers can be easily distinguished by means of several conventional spectroscopic techniques. Furthermore, we have illustrated the absence of supramolecular aggregates and enhanced processability by noncovalent functionalization of graphene substrates, showing an outstanding homogeneity and demonstrating a different doping behavior in both isomers, making it possible to distinguish them by Raman spectroscopy.
A Gold(III) Pincer Ligand Scaffold for the Synthesis of Binuclear and Bioconjugated Complexes: Synthesis and Anticancer Potential
Authors: Bertrand Benoît , O'Connell Maria A. , Waller Zoë A. E. , Bochmann Manfred 
Published: January 2018

AbstractCyclometalated (C^N^C)AuIII complexes bearing functionalized N‐heterocyclic carbene (NHC) ligands provide a high‐yielding, modular route to bioconjugated and binuclear complexes. This methodology has been applied to the synthesis of bioconjugated complexes presenting biotin and 17α‐ethynylestradiol vectors, as well as to the synthesis of bimetallic AuIII/AuI complexes. The in vitro antiproliferative activities of these compounds against various cancer cells lines depend on the linker length, with the longer linker being the most potent. The estradiol conjugate AuC6Estra proved to be more toxic against the estrogen receptor positive (ER+) cancer cells than against the ER− cancer cells and non‐cancer cells. The bimetallic complex AuC6Au was more selective for breast cancer cells with respect to a healthy cell standard than the monometallic complex AuNHC. The metal uptake study on cells expressing or not biotin and estrogen receptors revealed an improved and targeted delivery of gold for both the bioconjugated complexes AuC6Biot and AuC6Estra compared to the non‐vectorised analogue AuNHC. The investigations of the interaction of the bioconjugates and bimetallic complexes with human telomeric G‐quadruplex DNA using FRET‐melting techniques revealed a reduced ability to stabilize this DNA structure with respect to the non‐vectorised analogue AuNHC.
A Metallo Pro‐Drug to Target CuII in the Context of Alzheimer's Disease
Authors: Conte‐Daban Amandine , Ambike Vinita , Guillot Régis , Delsuc Nicolas , Policar Clotilde , Hureau Christelle 
Published: January 2018

AbstractAlzheimer's disease and oxidative stress are connected. In the present communication, we report the use of a MnII‐based superoxide dismutase (SOD) mimic ([MnII(L)]+, 1+) as a pro‐drug candidate to target CuII‐associated events, namely, CuII‐induced formation of reactive oxygen species (ROS) and modulation of the amyloid‐β (Aβ) peptide aggregation. Complex 1+ is able to remove CuII from Aβ, stop ROS and prevent alteration of Aβ aggregation as would do the corresponding free ligand LH. Using 1+ instead of LH in further biological applications would have the double advantage to avoid the cell toxicity of LH and to benefit from its proved SOD‐like activity.
Chiral separation of novel iminonaringenin derivatives
Authors: Bouanini Meriem , Belboukhari Nasser , Menéndez J. Carlos , Sekkoum Khaled , Cheriti Abdelkarim , Aboul‐Enein Hassan Y. 
Published: January 2018

AbstractA series of 4‐iminonaringenin derivatives 2‐6 have been prepared in good overall yields from a condensation reaction between naringenin and primary amines. The structures of all products were confirmed by ultraviolet, infrared, proton nuclear magnetic resonance, and carbon‐13 nuclear magnetic resonance spectroscopic techniques. These derivatives were analyzed by high‐performance liquid chromatography using polysaccharide‐based chiral stationary phases, namely, Chiralpak IB and Chiralcel OD, using various mobile phases. 2‐Propanol showed a high enantioselectivity for naringin and its derivatives using achiral column containing immobilized polysaccharides (Chiralpak IB).
Development of Potent Inhibitors of the Mycobacterium tuberculosis Virulence Factor Zmp1 and Evaluation of Their Effect on Mycobacterial Survival inside Macrophages
Authors: Paolino Marco , Brindisi Margherita , Vallone Alessandra , Butini Stefania , Campiani Giuseppe , Nannicini Chiara , Giuliani Germano , Anzini Maurizio , Lamponi Stefania , Giorgi Gianluca , Sbardella Diego , Ferraris Davide M. , Marini Stefano , Coletta Massimo , Palucci Ivana , Minerva Mariachiara , Delogu Giovanni , Pepponi Ilaria , Goletti Delia , Cappelli Andrea , Gemma Sandra , Brogi Simone 
Published: January 2018

AbstractThe enzyme Zmp1 is a zinc‐containing peptidase that plays a critical role in the pathogenicity of Mycobacterium tuberculosis. Herein we describe the identification of a small set of Zmp1 inhibitors based on a novel 8‐hydroxyquinoline‐2‐hydroxamate scaffold. Among the synthesized compounds, N‐(benzyloxy)‐8‐hydroxyquinoline‐2‐carboxamide (1 c) was found to be the most potent Zmp1 inhibitor known to date, and its binding mode was analyzed both by kinetics studies and molecular modeling, identifying critical interactions of 1 c with the zinc ion and residues in the active site. The effect of 1 c on intracellular Mycobacterium survival was assayed in J774 murine macrophages infected with M. tuberculosis H37Rv or M. bovis BCG and human monocyte‐derived macrophages infected with M. tuberculosis H37Rv. Cytotoxicity and genotoxicity were also assessed. Overall, inhibitor 1 c displays interesting in vitro antitubercular properties worthy of further investigation.
Effects of in situ selenium exposure and maternal transfer on survival and deformities of brown trout (Salmo trutta) fry
Authors: Covington Sean M. , Naddy Rami B. , Prouty Alan L. , Werner Steven A. , Lewis Mark Dunn 
Published: January 2018

Abstract

Offspring of wild adult brown trout exposed to a range of Se concentrations were reared in a laboratory setting to primarily assess effects on survival and deformities. Maternal whole-body Se concentrations ranged from 4.7 to 22.6 mg/kg dry weight for wild fish. Corresponding Se concentrations in embryos ranged from 6.2 to 40.3 mg/kg dry weight. Significant relationships were found between embryo and whole-body tissue concentrations. Increasing egg Se concentrations were correlated with decreasing survival; however, hatch success was not significantly correlated with increasing embryo Se. The best fit effect concentration, 10% (EC10) for survival in the hatch to swim-up period was 20.6 mg/kg dry weight, and the EC10 for hatch to test termination at 88 d was 20.5 mg/kg dry weight egg Se. The best fit model for deformities was based on a baseline-adjusted severity index and resulted in an EC10 of 21.8 mg/kg dry weight egg Se. Both the best fit model EC10s represent more sensitive values than the published range of trout species EC10s. An egg to whole-body tissue conversion factor derived from the paired data resulted in a conversion factor for brown trout of 1.46, which resulted in a whole-body tissue EC10 of 14.04 mg/kg dry weight at an egg tissue EC10 of 20.5 mg/kg dry weight. Environ Toxicol Chem 2018;37:1396–1408. © 2018 SETAC
Hyperheuristic‐based analysis and optimization of a mobile indoor visible light communication system
Authors: Sharma Ram , Kumari A. Charan , Aggarwal Mona , Ahuja Swaran 
Published: January 2018

AbstractIn this paper, we study a mobile indoor visible light communication system that can be used for the creation of the indoor network infrastructure for sending information besides serving its main purpose of illumination. It uses visible light communication technology where the light‐emitting diodes (LEDs) are deployed on the ceiling of the room and the receiver is kept mobile at a certain height from the ground level. This paper focuses on the optimal deployment of the LEDs with an objective to achieve the requisite level of communication performance without any transmission error while maintaining ubiquitous receiver mobility. The hyperheuristic evolutionary algorithm (HypEA) has been implemented to analyze and optimize the energy consumption through optimal placement of LEDs under variation of semiangle values. Furthermore, the implemented optimization algorithm investigates the other system related parameters including average outage area ratio, signal‐to‐noise ratio, and root mean square delay for a given threshold average bit error ratio. Finally, The obtained results are illustrated through numerical plots, which reveal that the HypEA is efficient in optimizing the system to minimize the overall power consumption under maximum receiver mobility.
Introduction to Bayesian Modeling and Inference for Fisheries Scientists
Authors: Doll Jason C , Jacquemin Stephen J 
Published: January 2018

Abstract
Bayesian inference is everywhere, from one of the most recent journal articles in Transactions of the American Fisheries Society to the decision-making process you undergo when selecting a new fishing spot. Bayesian inference is the only statistical paradigm that synthesizes prior knowledge with newly collected data to facilitate a more informed decision—and it is being used at an increasing rate in almost every area of our profession. Thus, the goal of this article is to provide fisheries managers, educators, and students with a conceptual introduction to Bayesian inference. We do not assume that the reader is familiar with Bayesian inference; however, we do assume that the reader has completed an introductory biostatistics course. To this end, we review the conceptual foundation of Bayesian inference without the use of complex equations; present one example of using Bayesian inference to compare relative weight between two time periods; present one example of using prior information about von Bertalanffy growth parameters to improve parameter estimation; and, finally, suggest literature that can help to develop the skills needed to use Bayesian inference in your own management or research program.
Response selection codes in neurophysiological data predict conjoint effects of controlled and automatic processes during response inhibition
Authors: Chmielewski Witold X. , Mückschel Moritz , Beste Christian 
Published: January 2018

AbstractThe inhibition of prepotent responses is a requirement for goal‐directed behavior and several factors determine corresponding successful response inhibition processes. One factor relates to the degree of automaticity of pre‐potent response tendencies and another factor relates to the degree of cognitive control that is exerted during response inhibition. However, both factors can conjointly modulate inhibitory control. Cognitive theoretical concepts suggest that codings of stimulus‐response translations may underlie such conjoint effects. Yet, it is unclear in how far such specific codes, as assumed in cognitive psychological concepts, are evident in neurophysiological processes and whether there are specific functional neuroanatomical structures associated with the processing of such codes. Applying a temporal decomposition method of EEG data in combination with source localization methods we show that there are different, intermingled codes (i.e., “stimulus codes” and “response selection codes”) at the neurophysiological level during conjoint effects of “automatic” and “controlled” processes in response inhibition. Importantly, only “response selection codes” predict behavioral performance, and are subject to conjoint modulations by “automatic” and “controlled” processes. These modulations are associated with inferior and superior parietal areas (BA40/BA7), possibly reflecting an updating of internal representations when information is complex and probably difficult to categorize, but essential for behavioral control. Codes proposed by cognitive, psychological concepts seem to have a neurophysiological analogue that fits into current views on functions of inferior and superior parietal regions.
Hydrophobic and hydrophilic effects on water structuring and adhesion in denture adhesives
Authors: Gill Simrone K. , Roohpour Nima , An Yiran , Gautrot Julien E. , Topham Paul D. , Tighe Brian J. 
Published: January 2018

AbstractDenture adhesives are designed to be moisture‐sensitive through the inclusion of a blend of polymer salts with varying degrees of water‐sensitivity. This enables the adhesive to mix with saliva in vivo and activate its high tack, through the formation of a mucilaginous layer. We report for the first time, the use of differential scanning calorimetry to study a series of hydrophobic and hydrophilic polymeric systems in order to correlate water‐structuring behavior with adhesion strength. Adhesive bonding of the more hydrophobic variants was higher than that of a commercial‐based control and a more hydrophilic polymer system in both lap shear and tensile configurations. Water‐binding data suggested that increasing the hydrophobicity of the maleic acid copolymer substituents led to decreased levels of freezing water. In comparison, increasing the hydrophilic nature of the polymer backbone gave higher levels of freezing water within the hydrated samples. The results of this study emphasize the importance of varying the levels of hydrophobic and hydrophilic components within denture adhesive formulations, alongside the types of water present within the adhesive systems. This phenomenon has shown the potential to fine‐tune the adhesive properties and failure mode against poly(methyl methacrylate), surfaces. © 2018 Wiley Periodicals, Inc. J Biomed Mater Res Part A: 106A: 1355–1362, 2018.