bluuebunny/crossref_metadata_2025_split huggingface dataset:
Trifluoromethyl‐Directed Supramolecular Self‐Assembly of Fullerenes: Synthesis, Characterization and Photovoltaic Applications
Authors: Thawarkar Sachin , Nagarjuna Puvvala , Bagui Anirban , Narayan Ramanuj , Panicker Jayanthy S. , Nair Vijayakumar C. , Singh Surya Prakash 
Published: January 2020

AbstractSelf‐assembly of fullerene derivatives plays an important role in controlling photovoltaic performance of organic solar cells (OSCs). Herein, we have synthesized two covalently bonded phenyl substituted fullerene derivatives ‐N‐Mtheyl‐2‐[2,5‐bis(trifluoromethyl)phenyl] fullerenopyrrolidine (1) and N‐Methyl‐2‐[2,4bis(trifluoro‐methyl‐6‐methoxy)phenyl]fullerenopyrrolidine (2), which are employed as electron acceptors in OSCs. The self‐assembly of two aforementioned molecules were investigated in the binary solvent system of chloroform and methanol (1:1 volume ratio). Further, optical, electro‐chemical and micro‐structural properties of self assembled structures were also studied. It is found that the architecture of assembly is directed by the functional groupsatthe phenyl ring and solvent molecule. The molecule 1 possessing ‐CF3 group and the molecule 2 possessing additional ‐OMe group on fullerene unitform flowers and flakes like structures, respectively. The assembly structure of 1 gets converted from flower to disc like structure with the variation of solvent from methanol to hexane. The OSCs fabricated using molecule 1 and molecule 2 as acceptor with PTB7 donor showed a power conversion efficiency of 6.8 and 3.6%, respectively with high open circuit voltages of ∼0.8 V.
Synthesis and Characterization of Fe3O4/Carbon Dot Supported MnO2 Nanoparticles for the Controlled Oxidation of Benzyl Alcohols
Authors: Prathibha Edwin , Rangasamy Rajmohan , Sridhar Arunasalam , Lakshmi Kannappan 
Published: January 2020

AbstractIn recent past, magnetic catalyst has gained much attention because it can be easily separated from the reaction mixture. Herein we report a facile synthesis of magnetic carbon dot supported MnO2 nanoparticles for the oxidative transformation of organic compounds. In the actual synthesis, initially Fe3O4 nanoparticles were prepared by microwave assisted method and carbon dots were prepared instantaneously from glucose by simple incineration under closed condition. The synthesized carbon dots were coated over iron oxide nanoparticles via sonochemical deposition method. Further, magnetic carbon dot supported MnO2 nanocomposite was synthesized by conventional homogeneous precipitation using potassium permanganate. The synthesized nanocomposite material was characterized using FT‐IR, SEM, TEM, XRD and VSM techniques. The catalytic efficiency of the nanomaterial was successfully demonstrated for the oxidation of benzyl alcohols to benzaldehydes. The advantages of this method include, controlled oxidation of alcohols to aldehydes with broad substrate scope, the use of molecular oxygen as a green oxidant and beyond that a facile magnetic separation of the catalyst material. Moreover, the catalyst can be recycled for 5 times without much loss in its efficiency.
Metal‐Organic Framework Derived Porous α‐Fe2O3/C Nano‐shuttles for Enhanced Visible‐light Photocatalysis
Authors: Pang Yingping , Li Zhengping , Jiao Xiuling , Chen Dairong , Li Cheng 
Published: January 2020

AbstractVisible‐light photocatalytic degradation is one of the most intriguing and cost‐effective strategy toward wastewater treatment, wherein one key lies in the design of efficient photocatalysts that afford fast migration of photo‐generated electrons and holes on the interfaces to react with the pollutants. In this article, a rational design of photocatalyst by controlled pyrolyzing Fe‐MIL‐88B MOF precursor was described for the synthesis of porous α‐Fe2O3/C nano‐shuttles. These nano‐shuttles are very uniform with a length of ∼1.5 μm and width of ∼500 nm, with each one consisting of subunit nanocrystals and interstitial nanopores produced thereby. This unique structure plays an important role in improving photocatalytic activity by increasing the surface area of the material and enhancing the adsorption of the dye molecules. Moreover, this MOF‐derived α‐Fe2O3/C composite can quickly transfer light‐generated electrons to prevent recombination between photo‐generated electrons and holes, thereby increasing the photo‐carrier concentration, and thus the photocatalytic efficiency can be significantly improved. The results show that methylene blue (MB) degradation rate reaches 85.2% in 210 min under simulated sunlight illumination using porous α‐Fe2O3/C nano‐shuttle photocatalyst, which is much higher than that of Fe‐MIL‐88B (39.1%), commercial α‐Fe2O3 (20%) and pure α‐Fe2O3 nano‐shuttles (24.4%).
Effect of Metal Work Function on Hydrogen Production from Photocatalytic Water Splitting with MTiO2 Catalysts
Authors: Beasley Charles , Kumaran Gnanamani Muthu , Santillan‐Jimenez Eduardo , Martinelli Michela , Shafer Wilson D. , Hopps Shelley D. , Wanninayake Namal , Kim Doo‐Young 
Published: January 2020

AbstractPhotocatalytic water splitting was performed on TiO2 and metal‐containing TiO2 (MTiO2) catalysts under UV light irradiation. TiO2 was added with various metals of different work functions, namely, Pt (5.93 eV), Pd (5.60 eV), Cu (5.10 eV), Ru (4.71 eV), and Ag (4.26 eV). The hydrogen production was found to increase linearly with increasing metal work function. The rate of charge recombination increases with decreasing work function difference between the metal and TiO2. Pt and Pd were highly efficient co‐catalysts to TiO2 for hydrogen generation from water due to their larger work function and upward‐bent band causing the photoelectrons to be trapped in those metal sites that are eventually consumed during water reduction. Co‐catalysts such as Ag, Ru, and Cu were less effective towards water splitting due to downward‐bent band gaps that allow the photoelectrons to flow back to TiO2 from the metal which leads to faster charge recombination.
Fast Catalytic Esterification Using a Hydrophobized Zr‐MOF with Acidic Ionic Liquid Linkers
Authors: Xu Zichen , Zhao Guoying , Hedin Niklas , Xu Mengmeng , Liu Jiahui , Ullah Latif , Zhang Suojiang 
Published: January 2020

AbstractA Zr‐MOF with an acidic ionic liquid linker ([bpyH][CF3SO3]) were externally hydrophobized with polydimethylsiloxane (PDMS) via a vapor deposition method (denoted as PDMS@UiO‐67‐CF3SO3). The morphology of UiO‐67‐CF3SO3 was well maintained after PDMS coating, and PDMS had little effect on the chemical properties of UiO‐67‐CF3SO3, while the hydrophobicity of the surface of UiO‐67‐CF3SO3 was improved greatly as demonstrated by water contact angle measurement. The derived hydrophobized PDMS@UiO‐67‐CF3SO3 exhibited excellent catalytic performance in the esterification of acetic acid and isooctyl alcohol, it only needed 4 h to reach the reaction equilibrium, while for UiO‐67‐CF3SO3, it was 18 h. The decrease in reaction time was mainly attributed to the accelerated the removal of water and isooctyl acetate, resulting the increase rate in the forward reaction. In addition, in the other esterification of acids and alcohols, PDMS@UiO‐67‐CF3SO3 also showed good catalytic performance.
Simultaneous Detection of Cu2+ and Co2+ by a Water‐Soluble Carboxamide‐Based Colorimetric Chemosensor
Authors: Rha Chang Joo , Lee Hangyul , Kim Cheal 
Published: January 2020

AbstractA novel carboxamide‐based colorimetric chemosensor ATA‐Msal ((E)‐3‐((2‐hydroxy‐3‐methoxybenzylidene)amino)thiophene‐2‐carboxamide) for detecting Cu2+ and Co2+ in aqueous solution was synthesized. Sensor ATA‐Msal could probe Cu2+ and Co2+ by color change from colorless to pale yellow. According to results of Job plot and ESI‐mass, the binding modes of ATA‐Msal to Cu2+ and Co2+ were determined to be a 1 : 1 ratio. The detection limits (0.14 μM and 0.88 μM) of ATA‐Msal for Cu2+ and Co2+ were much lower than WHO standard (31.5 μM for Cu2+) and US Environmental Protection Agency (EPA) standard (1.70 μM for Co2+). ATA‐Msal can be applicable to real samples and test strips, and F− could be used to distinguish between ATA‐Msal ‐Cu2+ and ATA‐Msal ‐Co2+. The sensing process of Cu2+ and Co2+ by ATA‐Msal was demonstrated by UV‐vis titration, ESI‐mass, EPR, 1H NMR titration, and DFT.
Study of 1D Titanate‐Based Materials –New Modification of the Synthesis Procedure and Surface Properties‐Recent Applications
Authors: Ameur Nawal , Bachir Redouane 
Published: January 2020

AbstractThis paper represents a general study of titanate nanotubes (TiNTs) which are among the most important materials in the field of catalysis. This research work covers more than 100 publications about the formulation, characterisation and most recent applications of TiNTs. TiNTs can be prepared by different methods, namely the anodic deposition, sol‐gel template synthesis and alkaline hydrothermal treatment. The present study focuses on the preparation of this tubular structure by alkaline treatment, using the latest and most recent processes that have been introduced in this method (stirring, acid nature, annealing temperature, etc). The surface properties, such as the point of zero charge (P.Z.C), acid‐base nature and light absorption, of TiNTs are also evoked. In the end, some recent and important TiNTs applications in the field of renewable energies are reported (H2 production and methanation). In addition, NO reduction, CO oxidation, photocatalysis and organic synthesis are also mentioned. Therefore, it may be said that this paper is a structured study about TiNTs for the purpose of making the reader aware of their importance, understand their synthesis, and know their scope of applications. To conclude, the most important data, acquired through various characterization techniques, are provided.
Self‐reported cognitive difficulties and cognitive functioning in relation to emotional exhaustion: Evidence from two studies
Authors: Horvat Marina , Tement Sara 
Published: January 2020

AbstractIndividuals with burnout often report having difficulties with concentration and memory in everyday life. However, empirical evidence on cognitive decline using performance‐based measures is limited and often obtained on small clinical samples. The aim of the present two studies was to investigate cognitive correlates of emotional exhaustion on otherwise healthy populations at different life stages with varying degrees of burnout. A total of 201 graduate and undergraduate students participated in Study 1, and a heterogeneous sample (N = 203) of working individuals took part in Study 2. Cognitive performance was assessed by self‐reported cognitive difficulties and three performance‐based cognitive tests of sustained attention, inhibition of irrelevant information, and inhibition of prepotent responses. Controlling for gender, age, and depression symptoms, multiple regression analyses in Study 1 indicated a positive relationship between emotional exhaustion and self‐reported cognitive difficulties but no correlation with the performance‐based cognitive measures. A similar pattern of results emerged in Study 2. However, we found tentative evidence for cognitive impairment on the sustained attention measure. The results of these two studies partially support previous findings and extend the literature on cognitive aspects of burnout.
Problem solving and affect as mechanisms linking daily mindfulness to task performance and job satisfaction
Authors: Forjan Danielle N. , Tuckey Michelle R. , Li Yiqiong 
Published: January 2020

AbstractThis study investigated the daily relationships between mindfulness and job satisfaction via affect and mindfulness and task performance via problem solving confidence. Participants were 57 full‐time and part‐time employees who completed a baseline survey and five daily diary entries. Data were analysed using multilevel modelling. On days when they experienced greater mindfulness, employees also experienced (a) greater daily job satisfaction via high‐activation positive affect (but not low‐activation positive affect nor negative affect) and (b) greater daily self‐reported task performance via problem solving confidence. Our findings suggest that high‐activation positive affect and problem solving confidence may be important daily mechanisms of mindfulness at work. Growing evidence links mindfulness to work‐related outcomes; however, limited research has investigated the mechanisms involved. The present study is one of the first to collect empirical observations regarding how state mindfulness operates at work on a daily basis, providing support for both affective and cognitive pathways. Advances in this area can underpin a robust theoretical framework to guide the implementation of daily mindfulness practice and interventions targeting specific work‐related outcomes.
Atomic Modulation Triggering Improved Performance of MoO3 Nanobelts for Fiber‐Shaped Supercapacitors
Authors: Liu Si , Xu Cuixia , Yang Hui , Qian Guangsheng , Hua Shugui , Liu Jie , Zheng Xusheng , Lu Xihong 
Published: January 2020

AbstractAsymmetric supercapacitors (ASCs) are emerging as a new class of energy storage devices that could potentially meet the increasing power and energy demand for next‐generation portable and flexible electronics. Yet, the energy density of ASC is severely limited by the low capacitance of the anode side, which commonly uses the carbon‐based nanomaterials. Here, the demonstration of sulfur‐doped MoO3−x nanobelts (denoted as S‐MoO3−x) as the anode for high‐performance fiber‐shaped ASC are reported. The Mo sites in MoO3 are intentionally modulated at the atomic level through sulfur doping, where sulfur could be introduced into the MoO6 octahedron to intrinsically tune the covalency character of bonds around Mo sites and thus boost the charge storage kinetics of S‐MoO3−x. Moreover, the oxygen defects are occurring along with sulfur‐doping in MoO3, enabling efficient electron transport. As expected, the fiber‐shaped S‐MoO3−x achieves outstanding capacitance with good rate capability and long cycling life. More impressively, the fiber‐shaped ASC based on S‐MoO3−x anode delivers extremely high volumetric capacitance of 6.19 F cm−3 at 0.5 mA cm−1, which makes it promising as one of the most attractive candidates of anode materials for high‐performance fiber‐shaped ASCs.
Nickel‐Doping Effect on Mn3O4 Nanoparticles for Electrochemical Water Oxidation under Neutral Condition
Authors: Hong Jung Sug , Seo Hongmin , Lee Yoon Ho , Cho Kang Hee , Ko Changwan , Park Sunghak , Nam Ki Tae 
Published: January 2020

AbstractAs the demand for energy has dramatically increased in the past decade, electrochemical water splitting has been regarded as an attractive approach to produce renewable hydrogen energy. However, large overpotentials of oxygen‐evolving reaction (OER) is a key bottleneck for practical application. Thus, water‐oxidizing electrocatalysts with low cost and high efficiency should be developed. Here, 5 nm‐sized Mn3O4 nanoparticles (NPs) are synthesized by a hydrothermal method, which is appropriate for large‐scale production. To further improve their performance, various 3d transition metal elements are successfully doped in Mn3O4 NPs. Ni‐doped Mn3O4 NPs exhibit the highest efficiency among the Mn3O4 NPs doped with various elements. Based on structural analysis, the Ni‐doping process leads to the lattice distortion of their tetragonal spinel structure and it strongly correlates with the enhancement of OER activity. The overpotential at the current density of 10 mA cm–2 is 524 and 458 mV for pristine and 5 at% doped Mn3O4 NPs under neutral condition. The heteroatom‐doping process in sub‐10 nm‐sized nanocatalysts is expected to be a promising methodology to induce distorted structure related to active species. Thus, it can be effective to improve catalytic performance of various heterogeneous nano‐catalysts.
Quantum Magnetic Imaging of Iron Biomineralization in Teeth of the Chiton Acanthopleura hirtosa
Authors: McCoey Julia M. , Matsuoka Mirai , de Gille Robert W. , Hall Liam T. , Shaw Jeremy A. , Tetienne Jean‐Philippe , Kisailus David , Hollenberg Lloyd C. L. , Simpson David A. 
Published: January 2020

AbstractIron is critical for life. Nature capitalizes on the physical attributes of iron biominerals for functional, structural, and sensory applications. Iron biomineralization is well exemplified by the magnetite‐bearing radula of chitons, the hardest known biomineral of any animal. Although magnetism is an integral property of iron biominerals, limited information exists on the magnetic state, structure, and orientation of these nanoscale materials during mineralization. The advent of quantum‐based magnetic microscopy provides a new avenue to probe these biological systems directly, providing detailed magnetic information of the iron oxide structures. Here two complementary quantum magnetic microscopy methods are applied, based on nitrogen‐vacancy centers in diamond, to spatially map the mineral phases ferrihydrite and magnetite in the developing teeth of the chiton Acanthopleura hirtosa. The images reveal previously undiscovered long‐range magnetic order, established at the onset of magnetite mineralization. This is in contrast to electron microscopy studies that show no strong common crystallographic orientation. The implications of these results are important, not just for the insights gained in biomineralization of the target organism, but also for the study of a broad range of iron minerals in the physical and biological sciences.
Inverse coefficient problem of the variable properties reconstruction for the viscoelastic cylindrical waveguide
Authors: Vatulyan Alexander O. , Uglich Pavel S. , Yavruyan Oksana V. 
Published: January 2020

AbstractAn effective technique for inverse coefficient problem solving of the shear modulus reconstruction for both inhomogeneous elastic and viscoelastic cylindrical waveguide is proposed. The identification is carried out using the displacement field data measured on the finite part of the outer boundary of the cylindrical waveguide in the torsional vibrations mode. An iterative scheme for solving the inverse problem is developed. At each iteration step, the correction to the shear modulus distribution function is calculated using the Fredholm integral equation of the first kind with a smooth kernel. Numerical results are obtained for both direct and inverse problems for different laws of the shear modulus variation.
Medial injuries of the clavicle: more prevalent than expected? A big data analysis of incidence, age, and gender distribution based on nationwide routine data
Authors: Bakir Mustafa Sinan , Unterkofler Jan , Haralambiev Lyubomir , Kim Simon , Carbon Roman , Ekkernkamp Axel , Schulz-Drost Stefan 
Published: January 2020

AbstractPurposeAlthough shoulder-girdle injuries occur frequently, injuries of the medial part remain widely unexplored. This study overviews these rare injuries with a focus on incidence, age, and sex distribution in Germany.MethodsThe data are based on diagnoses according to ICD-10 in all German hospitals provided by the German Federal Statistical Office. ICD-10 codes S42.01 (medial clavicle fracture, MCF) and S43.2 (sternoclavicular joint dislocation, SCJD) were evaluated in detail between 2012 and 2014.ResultsWe identified 14,264 cases with medial clavicle injuries (MCIs). MCFs occurred more often (11.6% of all clavicle-related shoulder-girdle injuries vs. 0.6% for SCJD). Mean ages of MCI were significantly different between males (43.7 years) and females (57.1 years) (p < 0.01). Age demonstrated a bimodal distribution with peaks at 20 and 50 years, which were predominantly associated with males. Females showed more injuries at age beyond 70 years. This applies to both SCJD and MCF. The incidence rate of these shoulder-girdle injuries was 47.0 per 100,000 person-years, for MCIs overall 5.9 (4.1 for men, 1.8 for women). This indicates disparity with a significant predominance of male patients over females as for all shoulder-girdle injuries (p < 0.01). Among children (< 16 years old), the incidence rate showed no significant difference in gender ratio.ConclusionMCIs appear more frequently than estimated so far and are distinguished from other clavicle fractures in that they occur more at higher age and peaking around 50 years. Further work on possible prevention strategies should focus on the most frequently affected groups of men around 20 and 50 years old.
1,4-D-Glucan block copolymers: synthesis and comprehensive structural characterization
Authors: Hashemi Payam , Mischnick Petra 
Published: January 2020

AbstractMulti-block glucans comprising permethylated and partially methylated blocks are compounds of interest. In order to monitor their formation by transglycosylation of corresponding starting glucans, a method has been developed and applied to model compounds. This method allows determining the average length of the blocks and the progress of incorporation of methyl blocks in partially methylated sequences with a random distribution. The method, comprising liquid chromatography mass spectrometry (LC-MS) and electrospray ionization collision-induced dissociation tandem mass spectrometry (ESI-CID-MSn) measurements of two types of peralkylated glucans representing derivatives of the target compounds, is comprehensively described and discussed. ESI-MSn allows looking into the sequences of oligomeric domains. In addition, transglycosylation is followed by attenuated total reflection FTIR and NMR spectroscopy.
Candidate genes and gene markers for the resistance to porcine pleuropneumonia
Authors: Nietfeld Florian , Höltig Doris , Willems Hermann , Valentin-Weigand Peter , Wurmser Christine , Waldmann Karl-Heinz , Fries Ruedi , Reiner Gerald 
Published: January 2020

AbstractActinobacillus(A.)pleuropneumoniaeis one of the most important respiratory pathogens in global pig production. Antimicrobial treatment and vaccination provide only limited protection, but genetic disease resistance is a very promising alternative for sustainable prophylaxis. Previous studies have discovered multiple QTL that may explain up to 30% of phenotypic variance. Based on these findings, the aim of the present study was to use genomic sequencing to identify genetic markers for resistance to pleuropneumonia in a segregating commercial German Landrace line. 163 pigs were infected withA. pleuropneumoniaeSerotype 7 through a standardized aerosol infection method. Phenotypes were accurately defined on a clinical, pathological and microbiological basis. The 58 pigs with the most extreme phenotypes were genotyped by sequencing (next-generation sequencing). SNPs were used in a genome-wide association study. The study identified genome-wide associated SNPs on three chromosomes, two of which were chromosomes of QTL which had been mapped in a recent experiment. Each variant explained up to 20% of the total phenotypic variance. Combined, the three variants explained 52.8% of the variance. The SNPs are located in genes involved in the pathomechanism of pleuropneumonia. This study confirms the genetic background for the host’s resistance to pleuropneumonia and indicates a potential role of three candidates on SSC2, SSC12 and SSC15. Favorable gene variants are segregating in commercial populations. Further work is needed to verify the results in a controlled study and to identify the functional QTN.