bluuebunny/crossref_metadata_2025_split huggingface dataset:
2D Ti3C2 MXene/WO3 Hybrid Architectures for High‐Rate Supercapacitors
Authors: Ambade Swapnil B. , Ambade Rohan B. , Eom Wonsik , Noh Sung Hyun , Kim Seung Hun , Han Tae Hee 
Published: October 2018

AbstractEnergy storage capabilities of transition metal oxides (TMOs) have expanded beyond the realm of ruthenium and manganese oxides to a versatile TMO like tungsten trioxide (WO3). The phase‐determined nature, such as intrinsic formation of hollow tunnels in the hexagonal polymorph of WO3 (Hexa WO3) and highly crystalline features in the monoclinic phase (Mono WO3), makes WO3 an attractive candidate for energy storage applications like supercapacitors. The development of superior WO3 supercapacitor electrode demands developing synergetic architectures with a variety of 2D materials like graphene, titanium carbide (Ti3C2) MXenes, etc. that can complement conductivity and stability. Here, the hybrids of Mono WO3–Ti3C2 and Hexa WO3–Ti3C2 are synthesized hydrothermally in one step by meticulously controlling the phase of WO3. The comparison of electrochemical performance reveals that the electrodes of 2D synergetic hybrid architectures almost double the specific capacitance (Csp) with respect to Mono WO3‐ and Hexa WO3‐only electrodes, exhibiting the highest Csp (566 F g−1) for Hexa WO3–Ti3C2, while retaining excellent life cycle (≈92%) of the initial Csp after 5000 cycles.
Copper‐Catalyzed Site‐Selective Oxidative C−C Bond Cleavage of Simple Ketones for the Synthesis of Anilides and Paracetamol
Authors: Vodnala Nagaraju , Gujjarappa Raghuram , Hazra Chinmoy K. , Kaldhi Dhananjaya , Kabi Arup. K. , Beifuss Uwe , Malakar Chandi C. 
Published: October 2018

AbstractA copper‐catalyzed approach for the N‐acylation of anilines with acetone and acetophenones via C−C bond cleavage is described. Under the developed conditions both CHCl3 and CH2Cl2 were identified as potential C1‐source to promote the transformation. The reaction features a site selective C−C bond cleavage to install the amide moieties with high functional‐group compatibility and wide substrate scope. The developed method avoids the use of sensitive and narcotic agents. The method also represents an excellent complement to the previous protocols with lower E‐factor (13.91 mg/1 mg) than current industrially used method (E‐factor 17.54 mg/1 mg). The developed approach has also been extended for the effective preparation of pyridine derivatives and paracetamol in gram scale. The course of the reaction was monitored by 1H NMR as a preliminary investigation of the reaction mechanism.magnified image
Tunable Quasi‐Plasticity of Microscale Shape Memory Alloys
Authors: Song Jihwan , Kim Dongchoul 
Published: October 2018

AbstractAs shape memory alloys (SMAs)‐based devices become smaller in size, the elaborate design of these devices based on an understanding of their shape memory and quasi‐plastic behavior at the small scale is becoming more critical. However, the previous studies overlooked the fact that it is feasible to alter the quasi‐plasticity of SMAs at the small scale and to tune them according to various factors. Here, the feasibility of altering the quasi‐plasticity of microscale SMAs with the direction of applied stress and of tuning them according to the volume ratio of crystalline structures is reported. To achieve this, the dynamic model for SMA is developed and their quasi‐plastic behavior, including phase and crystalline structure transformations, is simulated. The simulation reveals that it is feasible to select the crystalline structure of SMA according to the direction of the applied stress and, more critically, to tune the quasi‐plastic deformation by varying the volume ratio of crystalline structures by up to approximately 600% (i.e., 0.8–5.3%). This study highlights the practical tunability in the design of small‐scale SMA‐based systems.
Dynamically Monitoring Cell Viability in a Dual‐Color Mode: Construction of an Aggregation/Monomer‐Based Probe Capable of Reversible Mitochondria‐Nucleus Migration
Authors: Tian Minggang , Sun Jie , Dong Baoli , Lin Weiying 
Published: October 2018

AbstractMitochondria and nucleus play crucial roles during cell apoptosis process. In this work, a unique fluorescent probe capable of reversible migration between mitochondria and nucleus, as well as detection of cell viability in a dual‐color mode is presented. The dual‐color probe targets mitochondria in healthy cells, to form aggregates with deep‐red emission. It migrates into nucleus and binds to DNA to form monomers with green fluorescence during apoptosis. Interestingly, the migration is reversible dependent on cell viability, which enables the dynamic visualization of apoptosis process. With the probe, mitochondria and nucleus can be visualized in dual colors during apoptosis, and the cell viability could be monitored by the emission color and localization of the probe.
Membrane Filtration with Liquids: A Global Approach with Prior Successes, New Developments and Unresolved Challenges
Authors: Belfort Georges 
Published: October 2018

AbstractAfter 70 years, modern pressure‐driven polymer membrane processes with liquids are mature and accepted in many industries due to their good performance, ease of scale‐up, low energy consumption, modular compact construction, and low operating costs compared with thermal systems. Successful isothermal operation of synthetic membranes with liquids requires consideration of three critical aspects or “legs” in order of relevance: selectivity, capacity (i.e. permeation flow rate per unit area) and transport of mass and momentum comprising concentration polarization (CP) and fouling (F). Major challenges remain with respect to increasing selectivity and controlling mass transport in, to and away from membranes. Thus, prediction and control of membrane morphology and a deep understanding of the mechanism of dissolved and suspended solute transport near and in the membrane (i.e. diffusional and convective mass transport) is essential. Here, we focus on materials development to address the relatively poor selectivity of liquid membrane filtration with polymers and discuss the critical aspects of transport limitations. Machine learning could help optimize membrane structure design and transport conditions for improved membrane filtration performance.
Effect of Fullerene Volume Fraction on Two‐Dimensional Crystal‐Constructed Supramolecular Liquid Crystals
Authors: Shen Peng , Zhang Xiaoyan , Lu Huanjun , Su Zebin , Zhou Yi , Song Bo , Li Xiaohong , Yang Xiaoming , Tu Yingfeng , Li Christopher Y. 
Published: October 2018

AbstractThe volume fraction plays an important role in phase segregated soft matters. We demonstrate here that at high fullerene volume fraction in soft chain‐tethered‐fullerene dyads, different two‐dimensional (2D) crystal‐constructed smectic‐like lamella liquid crystalline (LC) phases can be formed with triple‐layer (ST phase) or quadruple‐layer (SQ phase) stacking of fullerenes in 2D crystals. The combination of 2D crystal and LC properties in one system affords these fullerene dyads controlled electron mobility in the range of 10−5–10−3 cm2 V−1 s−1 at room temperature (ST phase), by regulating the insulated soft layer thickness between 2D crystals via the manipulation of fullerene volume fraction.
Heat‐Triggered Crystallization of Liquid Crystalline Macrocycles Allowing for Conductance Switching through Hysteretic Thermal Phase Transitions
Authors: Muraoka Takahiro , Shima Tatsuya , Kajitani Takashi , Hoshino Norihisa , Morvan Estelle , Grélard Axelle , Dufourc Erick J. , Fukushima Takanori , Akutagawa Tomoyuki , Nabeya Kota , Kinbara Kazushi 
Published: October 2018

AbstractA polymesomorphic thermal phase‐transition of a macrocyclic amphiphile consisting of aromatic groups and oligoethylene glycol (OEG) chains is reported. The macrocyclic amphiphile exists in a highly‐ordered liquid crystal (LC) phase at room temperature. Upon heating, this macrocycle shows phase‐transition from columnar‐lamellar to nematic LC phases followed by crystallization before melting. Spectroscopic studies suggest that the thermally induced crystallization is triggered by a conformational change at the OEG chains. Interestingly, while the macrocycle returns to the columnar‐lamellar phase after cooling from the isotropic liquid, it retains the crystallinity after cooling from the thermally‐induced crystal. Thanks to this bistability, conductance switching was successfully demonstrated. A different macrocyclic amphiphile also shows an analogous phase‐transition behavior, suggesting that this molecular design is universal for developing switchable and memorizable materials, by means of hysteretic phase‐transition processes.
Utilizing Simtronics, a chemical engineering process simulation software, in chemical engineering coursework to reduce the skills gap
Authors: Johnson Denis , Singh Ramesh 
Published: October 2018

AbstractTo connect theory taught in the classroom and practical skills required for the workforce, a new teaching methodology has been adopted in the Department of Chemical Engineering at the University of Pittsburgh at Johnstown. We have introduced Simtronics, a virtual chemical engineering process simulator, in chemical engineering coursework to teach students how to operate equipment and troubleshoot chemical processes often found in industrial settings. The students then learn the theories and calculations, and how to apply them to the studied processes at varying conditions. The analysis of these varying conditions provides the student with valuable hands‐on experience frequently sought after by employers.
Recent Developments on Supported Hydrogen‐bond Organocatalysts
Authors: Franconetti Antonio , de Gonzalo Gonzalo 
Published: October 2018

AbstractHydrogen‐bond organocatalysts are a family of Brønsted acid organic compounds able to activate electrophilic substrates toward nucleophilic addition through hydrogen bonding interactions. Since the first report using these catalysts, they have been widely exploited in several valuable processes, in general with high activities and selectivities. The immobilization of hydrogen‐bond catalysts affords heterogeneous systems which enable different features for a green chemistry approach, such as chemical and mechanical stability, easy work‐up and/or reusability. Several kinds of supports have been employed for immobilization while maintaining the advantages of the homogeneous catalysts. In the present review, we have mainly focused our attention in the immobilization of ureas, thioureas and squaramides organocatalysts onto various supports, including polymeric materials, mesoporous silicas, nanoparticles and ionic liquids, and also some copolymerization processes have been described. In addition, the role of these supported organocatalysts published since 2010 on different stereoselective transformations has been evaluated.
Size Tunable Zeolite‐Templated Carbon as Microporous Sulfur Host for Lithium‐Sulfur Batteries
Authors: Noh Hyungjun , Choi Seokin , Kim Hyun Gyu , Choi Minkee , Kim Hee‐Tak 
Published: October 2018

AbstractSpatial confinement of sulfur in porous carbons has been one of the major approaches to address the polysulfide (PS) shuttle problem of lithium‐sulfur (Li−S) batteries. Among them, microporous carbon can effectively confine sulfur inside pores, however, it shows low active material utilization due to pore blockage by discharge products. To address this issue, in this work, zeolite‐templated carbons (ZTCs) with high surface area and electronic conductivity are used as host material for Li−S battery and their particle size is varied to explore better performances. With decrease of the particle size from 400 to 20 nm, initial sulfur utilization is enhanced from 20.7 to 71.6 %. The smaller ZTC particle delivers a high capacity retention of 94.6 % at 200 cycles. From electrochemical and spectroscopic analyses, it is demonstrated that smaller ZTC particles lead to easier penetration of Li ions inside the pores, resulting in more uniform Li2S deposition on the entire surface of the micropores. Due to its excellent size‐tunability and well‐defined pore structure, ZTC can be an effective sulfur host for the design of high‐performance Li−S batteries.
Low power device coordination in internet of things environment using analytic hierarchy process model
Authors: Rajesh R. , Annadurai C. , Nirmaladevi K. 
Published: October 2018

SummaryInternet of things (IoT) is a network technology can connect various physical devices into internet; it will improve the process technology and reduce human efforts. IEEE 802.15.4 specified that IPV6 low power wireless personal area networks (6LoWPAN) was the potential candidate for realizing IoT in real‐time scenario. To coordinate the large amount of data exchange between the nodes, centralized entity is the option for conventional approaches. To improve the resource utilization, analytic hierarchy process is discussed in this article. Proposed AHP algorithm was tested with various scenarios in the network. In all the cases, AHP provides optimum resource utilization.
TiNF and Related Analogues of TiO2: A Combined Experimental and Theoretical Study
Authors: Ayyub Mohd Monis , Prasad Suchitra , Lingampalli Srinivasa Rao , Manjunath Krishnappa , Waghmare Umesh V. , Rao C. N. R. 
Published: October 2018

AbstractAliovalent anion substitution in inorganic materials brings about marked changes in properties, as exemplified by N,F‐codoped metal oxides. Recently, complete substitution of oxygen in ZnO by N and F was carried out to generate Zn2NF. In view of the important properties of TiO2, we have attempted to prepare TiNF by employing an entirely new procedure involving the reaction of TiN with TiF4. While the reaction at low temperature (450 °C) yields TiNF in the anatase phase, reaction at a higher temperature (600 °C) yields TiNF in the rutile phase. This is interesting since the anatase phase of TiO2 also transforms to the rutile phase on heating. The lattice parameters of TiNF are close to those of the parent oxide. Partial substitution of oxygen in TiO2 by N and F reduces the band gap, but complete substitution increases the value comparable to that of the oxide. We have examined properties of N,F‐codoped TiO2, and more interestingly N,F‐codoped Ti3O5, both with lower band gaps than the parent oxides. A detailed first‐principles calculations has been carried out on structural and electronic properties of N,F−TiO2 and the TiNF phases. This has enabled us to understand the effects of N,F substitution in TiO2 in terms of the crystal structure, electronic structure and optical properties.
A Model‐Based Approach to Quantify the Time‐Course of Anti‐Drug Antibodies for Therapeutic Proteins
Authors: Ren Yupeng , Li Liang , Kirshner Susan , Wang Yaning , Sahajwalla Chandrahas , Ji Ping 
Published: October 2018

A mathematical antidrug antibody (ADA) model was developed to quantitatively assess immunogenicity for therapeutic proteins. The ADA model was built with antibody titer data in subjects from 10 clinical trials. The time course of the antibody titers was quantitatively characterized with a two‐component semimechanistic model describing the double peaks of ADA titers. The relationship between antibody titer and incidence was also explored. The ADA incidences in subjects from 12 clinical trials were used for internal and external validations. The ADA titers reasonably predicted the incidence of antibody. The model‐predicted elimination rate constant for antibody titer was 14.1 × 10−3 day−1 and 8.1 × 10−3 day−1 in healthy subjects and patients, respectively. This research provided a useful tool to quantitatively evaluate immunogenicity and its impact for therapeutic proteins.
Modes of Fe Incorporation in Co–Fe (Oxy)hydroxide Oxygen Evolution Electrocatalysts
Authors: Zhang Ting , Nellist Michael R. , Enman Lisa J. , Xiang Junhui , Boettcher Shannon W. 
Published: October 2018

AbstractNi–Fe (oxy)hydroxide and Co–Fe (oxy)hydroxide are among the most active oxygen evolution reaction (OER) catalysts in alkaline media. Fe is essential for the high activity, but the details of how Fe is incorporated into the Ni or Co (oxy)hydroxide structure and affects catalysis remain incompletely understood. This study concerns two different modes of Fe incorporation to form Co(Fe)OxHy, which both yield increased OER activity but result in Fe and Co species that differ in chemical reactivity and electrochemical response. Co(Fe)OxHy films that were cathodically deposited from mixed Co and Fe nitrate solution (co‐deposited) result in Fe species that interact strongly with the Co species (as evidenced by an anodic shift in the Co redox wave) and are difficult to leach out under electrochemical conditions. Fe incorporated into a CoOxHy film by cycling in Fe‐spiked KOH electrolyte similarly enhance activity, but do not strongly electronically interact with the majority of the Co in the film and are removed by cycling in Fe‐free KOH. These results support the hypothesis that co‐deposition of Co(Fe)OxHy leads to films where the Co and Fe are mixed within the nanosheet structure and cycling in Fe‐spiked KOH incorporates Fe species largely at surface, edge, or defect sites, where they drive OER but do not otherwise significantly modulate the electrochemical response of the Co.
The impact of intraspecific variation on food web structure
Authors: Clegg Tom , Ali Mohammad , Beckerman Andrew P. 
Published: October 2018

AbstractAccounting for the variation that occurs within species in food webs can theoretically result in significant changes in both network structure and dynamics. However, there has been little work exploring their role with empirical data. In particular, the variation associated with species’ life cycles, which is prevalent and represents both trait variation and taxonomic identity, has received little attention. Here, we characterize the structural consequences of life stage variation in five food webs, including a newly compiled web from the Arabian Gulf. We show that making life stage variation explicit in food webs results in larger food webs that possess consistent structural changes that are separate from the changes in structure that come simply from increasing the number of nodes in the webs. Furthermore, we show that the magnitude of these changes is related to ontogenetic specialism, the degree of overlap in the ecological niches of life stages. These results demonstrate the capacity of intraspecific variation to affect ecological networks and indicate the potential usefulness of stage‐structured food webs, which capture size and taxonomic information, to represent variation below the species level.
Effects of corneal injury on ciliary nerve fibre activity and corneal nociception in mice: A behavioural and electrophysiological study
Authors: Joubert Fanny , Acosta Maria del Carmen , Gallar Juana , Fakih Darine , Sahel José‐Alain , Baudouin Christophe , Bodineau Laurence , Mélik Parsadaniantz Stéphane , Réaux‐Le Goazigo Annabelle 
Published: October 2018

AbstractBackgroundOcular surface diseases are among the most frequent ocular pathologies. Ocular pain following corneal injury is frequently observed in clinic. Corneal sensory innervation is supplied by ciliary nerves derived from ophthalmic division of the trigeminal ganglion.Methods & ResultsExtracellular activity of the mouse ciliary nerve was first used to investigate the corneal responsiveness to chemical, mechanical and thermal stimulations in order to specifically study the responses of polymodal nociceptors, mechano‐nociceptors and cold thermoreceptor in a control cornea. Then, in two models of corneal injury (repeated instillations of 0.02% benzalkonium chloride and corneal scraping), we first measured the corneal sensitivity to chemical (eye‐wiping test) and mechanical (von Frey filaments) stimulation. Thereafter, we evaluated whether these corneal injuries modified the spontaneous and chemical stimulation‐evoked activity of the ciliary nerve. Both models of injury induced a significant corneal chemical hypersensitivity correlated with an increase of the spontaneous activity of the ciliary nerve and a faster response of the ciliary nerve after a chemical stimulation.ConclusionsOverall, this study provides new insights into the functional aspects of corneal nerve fibre activity in mice after corneal injury. The increase in ciliary nerve activity may thus contribute to the development of ocular pain after corneal damage.SignificanceThis study highlights the parallel increase in ciliary nerve activity and corneal sensitivity after corneal injury in mice. The strategy of combining ex vivo electrophysiological recordings of the ciliary nerve in mice and corneal sensitivity measurements therefore helps to uncover the functional aspects of corneal pain.
Deciphering key proteins of oil palm (Elaeis guineensis Jacq.) fruit mesocarp development by proteomics and chemometrics
Authors: Hassan Hasliza , Amiruddin Mohd Din , Weckwerth Wolfram , Ramli Umi Salamah 
Published: October 2018

AbstractPalm oil is an edible vegetable oil derived from lipid‐rich fleshy mesocarp tissue of oil palm (Elaeis guineensis Jacq.) fruit and is of global economic and nutritional relevance. While the understanding of oil biosynthesis in plants is improving, the fundamentals of oil biosynthesis in oil palm still require further investigations. To gain insight into the systemic mechanisms that govern oil synthesis during oil palm fruit ripening, the proteomics approach combining gel‐based electrophoresis and mass spectrometry was used to profile protein changes and classify the patterns of protein accumulation during these complex physiological processes. Protein profiles from different stages of fruit ripening at 10, 12, 14, 15, 16, 18 and 20 weeks after anthesis (WAA) were analysed by two‐dimensional gel electrophoresis (2DE). The proteome data were then visualised using a multivariate statistical analysis of principal component analysis (PCA) to get an overview of the proteome changes during the development of oil palm mesocarp. A total of 68 differentially expressed protein spots were successfully identified by matrix‐assisted laser desorption/ionisation‐time of flight (MALDI‐TOF/TOF) and functionally classified using ontology analysis. Proteins related to lipid production, energy, secondary metabolites and amino acid metabolism are the most significantly changed proteins during fruit development representing potential candidates for oil yield improvement endeavors. Data are available via ProteomeXchange with identifier PXD009579. This study provides important proteome information for protein regulation during oil palm fruit ripening and oil synthesis.
Providing a Context for Interpreting Predictions of Job Performance
Authors: Dorans Neil J. 
Published: October 2018

AbstractA distinction is made between scores as measures of a construct and predictions of a criterion or outcome variable. The interpretation attached to predictions of criteria, such as job performance or college grade point average (GPA), differs from that attached to scores that are measures of a construct, such as reading proficiency or knowledge about a domain (e.g., physics). In contrast to a score whose meaning is tied to the fidelity with which it measures a construct, the meaning of a prediction is tied to the statistical relationship of its scale to that of the criterion. A contrived example that might be seen in an employment setting is used to illustrate potential misinterpretations associated with making the predicted score distribution look like the criterion score distribution it is predicting.