bluuebunny/crossref_metadata_2025_split huggingface dataset:
Electrodeposited MnCO3 as a High Performance Electrode Material for Supercapacitor
Authors: Vardhan P. Vishnu , Idris Mustapha Balarabe , Ramanathan V. , Devaraj S. 
Published: June 2018

AbstractMnCO3 as an electrode material for supercapacitor is slowly gaining momentum. So far, wet chemical methods have been used to synthesize MnCO3 for supercapacitor applications. The electrode fabrication of thus prepared MnCO3 requires a certain percentage of conductive additive and binder; both of them do not contribute significantly to the measured capacitance. Herein, we report electrodeposition of MnCO3 and its capacitance properties. MnCO3 has been electrodeposited from an aqueous mixture of MnSO4 and Na3C6H5O7 by chronopotentiometry. X‐ray diffraction and Raman spectroscopic studies confirm the formation of MnCO3. Microscopic studies reveal the formation of micron‐sized spherical particles by the agglomeration of sub‐micron sized cubes. Electrodeposited MnCO3 delivers a specific capacitance of 194 F g−1 at a specific current of 0.5 A g−1 and demonstrates good rate capability. Further, it also exhibits high cycling stability over 10,000 cycles with retention of 92% of its initial specific capacitance value and 100% coulombic efficiency.
Inverted Perovskite Solar Cells with Efficient Mixed‐Fullerene Derivative Charge Extraction Layers
Authors: Yin Xuewen , Han Jianhua , Zhou Yu , Nan Hui , Yao Zhibo , Tai Meiqian , Li Xin , Li Jianbao , Wang Ning , Lin Hong 
Published: June 2018

AbstractThe short‐circuit current density of inverted perovskite solar cells is unsatisfactory due to the intrinsic relatively low electron mobility and electrical conductivity of PC61BM. To solve this problem, a solution‐processed mixed‐fullerene derivative electron transporting material by mixing PC61BM with C60 was developed to improve charge extraction capacity in fully low temperature processed devices. Incorporation of C60 into the PC61BM layer improves the mobility from 2.15×10−3 to 4.71×10−3 cm2⋅V−1⋅s−1 and the conductivity of electron transporting layers, thus enhancing the interfacial electron extraction capacity and reducing the electron transfer resistance. As a result, the average power conversion efficiency increases from 12.80% to 15.47% by 21% due to the significant increases in the average short‐circuit current density from 19.26 to 22.08 mA⋅cm−2 by 15%. Meanwhile, the optimal efficiency of 16.44% with rigid substrates and 12.93% with flexible substrates are obtained with almost no hysteresis. This work provides a novel and simple method to greatly improve the short‐circuit current density and hence the photovoltaic performance of inverted perovskite solar cells.
Existence of a Preferred Orientation for the Methoxy Group on an Extended Aromatic System.
Authors: Amaudrut Jérôme , Braccini Isabelle , Duhamel Eric , Montalbetti Christian 
Published: June 2018

AbstractThe conformations of a methoxy group introduced on naphthalene in position 2 has been investigated both experimentally (searches in crystallographic data, NOE measurements by NMR) and theoretically with ab initio calculations. While expected at first glance as being equivalent and predicted as such by force field methods, the two conformations where the methoxy is in the plane of the aromatic ring and turned either towards one or the other proton of naphthalene are actually very different in energy : ΔE=1.2 to 1.8 kcal mol−1, a surprisingly high value! The delocalization of the oxygen lone pair on the π‐system of the aromatic ring differs between the two conformers and is proposed to account predominantly for such unexpectedly large ΔE. It is our opinion that given the magnitude of the energies involved, force field methods should be corrected to take into account this conformational effect.
Synthesis, Structures and Recognition Properties of Two Cadmium(II) Phosphonates for Highly Selective Sensing of Cr2O72− and CrO42− Anions
Authors: Su Yuming , Cai Xiao'ou , Sun Hongmei , Sun Zhengang , Dong Dapeng , Zhu Yanyu , Wang Tingting 
Published: June 2018

AbstractTwo cadmium (II) phosphonates, [Cd(MPBP)(2, 2′−bipy)(H2O)]⋅H2O (1) and [Cd(H2BPDP)(2,2′−bipy)2(H2O)]⋅H2O (2) [H2MPBP=4,4−Bis(monoethylphosphonomethyl)biphenyl, H4BPDP=biphenyl−4,4′−diylbis(methylene)diphosphonic acid, 2,2′−bipy=2,2′−bipyridine], had been successfully synthesized under hydrothermal conditions with different reaction temperatures by using H2MPBP as the phosphonate ligand and 2,2′−bipyridine as the second organic ligand. The compound 1 exhibited a 3D supramolecular structure, in which {CdN2O4} polyhedra and {CPO3} tetrahedra were interconnected by MPBP anions to form a 1D double chain via corner–sharing. Neighboring chains were linked into a 2D supramolecular sheet in the ac–plane by hydrogen bonding interactions, which were further assembled through π−π stacking interactions to form a 3D supramolecular structure. Compound 2 was assembled through π−π stacking and hydrogen bonding interactions to form a 1D supramolecular structure. Furthermore, both compounds exhibited remarkable luminescent properties, and could be applied as the high selective and sensitive luminescent sensors in the sensing of Cr2O72− and CrO42− anions through the luminescence quenching effect with a low–detection limit of 3.5 × 10−7 M and 4.6 × 10−7 M (for 1) and 6.1 × 10−7 M and 4.3 × 10−7 M (for 2), respectively. Additionally, the probable mechanisms for the quenching behaviour for the two compounds had also been investigated in detail.
Moving towards Nitrogen‐Based Lewis Acids: A Theoretical Study
Authors: Ullah Sabnam S. , Kashyap Chayanika , Guha Ankur K. 
Published: June 2018

AbstractDensity functional calculations predict that reduction of heteroatom in cyclic nitrenium ion increases the Lewis acidity. Calculations also predict that annelation is a very effective way of stabilizing cyclic nitrenium ions and increasing the Lewis acidic character at the nitrenium centre. This is supported by the lowering in the energies of LUMO coupled with the high values of electrophilicity index as well as high hydride affinity. Substituents are also likely to influence their Lewis acidity. Electron withdrawing substituents increases their acidity while electron donating substituents decreases the same.
Hybrid Conjugates Formed between Gold Nanoparticles and an Amyloidogenic Diphenylalanine‐Cysteine Peptide
Authors: Pelin Juliane N. B. D. , Gatto Emanuela , Venanzi Mariano , Cavalieri Francesca , Oliveira Cristiano L. P. , Martinho Herculano , Silva Emerson R. , Aguilar Andrea M. , Souza Juliana S. , Alves Wendel A. 
Published: June 2018

AbstractWe investigated the effect of gold nanoparticles (AuNPs) on the aggregation of a CFF (C=cysteine; F=phenylalanine) tripeptide (derived from Aβ peptide) in aqueous medium. Special attention was dedicated to the role of AuNPs as inducers and inhibitors during nucleation kinetics and the structure of the resulting scaffolds was carefully investigated. At millimolar concentrations, the tripeptide was found to form β‐sheet structures organized into long filaments. Spectral signatures and topography of the filaments were studied by Raman spectroscopy and atomic force microscopy (AFM), revealing that conjugation to AuNPs not only stabilizes the system, but also inhibit or enhance amyloid‐like features depending on the synthesis route used in the preparation of AuNPs. Sodium borohydride (NaBH4) mediated synthesis of AuNPs gave rise to a strong absorption peak close to 520 nm, indicating that AuNPs were dispersed, independently of the peptide concentration added in the reaction. However, when the peptide/gold salt mixture was heated at 60 °C, AuNPs and AuNP‐decorated filaments were both formed in solution and the fractions of which population were found to be dependent on the [HAuCl4]/[CFF] ratio, as illustrated by TEM images. In addition, the insertion of AuNPs at the surface of CFF nanostructures can promote electron transfer from the metallic nanoparticles to the CFF surface, creating an n‐type semiconductor, and causing a peak shift of the phenylalanine absorption band.
Ionic Liquid Originated Synthesis of N,P‐doped Graphene for Hydrogen Evolution Reaction
Authors: Li Tianhao , Tang Daomei , Wang Min , Song Qunliang , Li Chang Ming 
Published: June 2018

AbstractWater electrolysis, generating clean hydrogen, always requires high‐performance and low‐cost electrocatalysts. Ionic liquid, namely N,N‐bis(4‐(methoxycarbonyl)benzyl)‐N‐methyl‐d‐glucaminium hexaflorophosphate (MBMG‐PF6), was infiltrated into the pretreated graphene as the precursor to prepare N,P‐double doped graphene (G(PF6)). This material has been applied as a metal‐free electrocatalyst for hydrogen evolution reaction (HER), demonstrating a good catalytic activity with an onset overpotential of 100 mV, a Tafel slope of 88 mV dec−1, a 97% Faradaic efficiency (FE) and a good durability over 10 h. According to the structural and compositional studies, this good HER performance can be attributed to the N,P‐dopant and highly porous structure of this catalyst.
Anisian (Middle Triassic) ammonoids from British Columbia (Canada): biochronological and palaeobiogeographical implications
Authors: Ji Cheng , Bucher Hugo 
Published: June 2018

AbstractNew Anisian (Middle Triassic) ammonoids are reported from British Columbia (BC), Canada. Eight species are reported, including one new genus and two new species:Eofrechites roopnarinigen. et sp. nov. andParafrechites cordeyisp. nov. New ammonoid subzones are recognized, leading to improved correlation betweenBCand Nevada: theHollandites minorZone is correlated with the interval intercalated between theUnionvillites hadleyiSubzone and thePseudodanubites nicholsiSubzone; anEogymnotoceras thompsoni–Anagymnotoceras spivakiZone is recognized inBCand correlated with the interval intercalated between theAugustaceras escheriandAnagymnotoceras spivakisubzones;Gymnotoceras weitschatiis found inBCfor the first time and co‐occurs withEogymnotoceras deleeni, suggesting either a rough correlation with the sum ofG. weitschati,G. mimetusandG. rotelliformiszones of Nevada or a strong diachronism ofG. weitschatiandG. rotelliformisalong the Palaeopacific margin of North America. The rare occurrences of low‐palaeolatitude restricted species in the mid‐palaeolatitude record indicate that exchanges were more frequent than previously documented during the Anisian. Despite a preservation bias in north‐easternBCdue to the lower carbonate content, it clearly emerges that the enhanced sampling effort leads to maximal association zones with duration of the same order of magnitude as those of Nevada, indicating that evolutionary turnover rates of ammonoids did not decrease toward higher latitude. Therefore, the common view that geographically differentiated evolutionary rates originates from the latitudinal gradient of taxonomic richness does not hold for Anisian ammonoid faunas along the Palaeopacific margin of North America.
Ultrasound‐assisted dispersive micro‐solid‐phase extraction using hydrophobic thiolated ionic liquids immobilized on gold nanoparticles for the preconcentration and determination of amino acids in human plasma samples
Authors: Zare Fahimeh , Jannesar Ramin , Purkait M. K. , Ghaedi Mehrorang 
Published: June 2018

AbstractWe describe the pre‐column derivatization of 19 amino acids with o‐phthalaldehyde/2‐mercaptopropionic acid. The derivatives were extracted using an ultrasound‐assisted dispersive micro‐solid‐phase extraction based on hydrophobic thiolated ionic liquids immobilized on gold nanoparticles. For this purpose, 10 mg of adsorbent was added to 10 mL of aqueous sample in the absence of any electrolyte and was inserted in ultrasound bath, which led to the efficient dispersion of adsorbent. The correlation between the extraction efficiency and parameters were optimized using experimental design and response surface methodology. The effects of alkyl‐chain length and anion of hydrophobic thiolated ionic liquids on the surface water wettability of gold nanoparticles were measured. Also, NMR spectroscopy and BET analysis were performed to recognize the formation of thiolated ionic liquids. Transmission electron microscopy, FTIR spectroscopy and X‐ray diffraction were conducted to characterize the gold nanoparticles. The suggested method shows a linear range (0.5–500 μmol L−1) under the optimized conditions with limits of detection in the range of 0.11–0.98 μmol L−1 for analytes. The validated method was successfully used for the quantification of nineteen amino acid derivatives with relative recoveries in the acceptable range of 81.1–104.4% and relative standard deviation less than 4.2%.
An experimental study on the wind pressure distribution of tapered super high‐rise buildings
Authors: Deng T. , Fu J.Y. , Xie Z.N. , Pi Y.L. , Shi B.Q. 
Published: June 2018

SummaryStudies on the effect of different shape strategies on wind‐induced responses of super tall buildings have been extensive. However, little systematic research on the influence of aerodynamic shapes on wind pressure distributions of super high‐rise building having a height more than 500 m is reported in the literature. In this paper, a series of wind tunnel tests are conducted on models simulating tapered buildings taller than 500 m with an aspect ratio of 9:1 by applying synchronous pressure measurement technology to investigate the influence of different shape strategies on the wind force coefficients of the cross section (Cs) and on the peak negative pressure distributions on surfaces. The shape strategies considered include tapering of the cross section of a building along its height, chamfered modification, and opening ventilation slots. It is found that the wind force coefficient Cs increase with an increase of the tapering ratio. It is shown that chamfered modification can effectively reduce most of the wind force coefficients Cs to less than 0.9. As for peak wind pressures, a zone having a higher negative pressure is found to locate at the bottom of the side faces of the model. With an increase of the tapering ratio, the peak negative pressure of side faces of the model slightly decreases. Chamfered modification can significantly increase the peak negative pressure at the chamfered location. Furthermore, it is demonstrated that opening ventilation slots had less effect on Cs, but the peak negative pressure can significantly increase at the area of opening ventilation slots and adjacent areas.
Research and development of an innovative self‐centering energy dissipation brace
Authors: Li Ran , Shu Ganping , Liu Zhen , Ge Hanbin 
Published: June 2018

SummaryInnovative self‐centering energy dissipation braces (SCBs) with super‐elastic shape memory alloy wires are designed and tested on a uniaxial MTS 810 hydraulic servo‐controlled fatigue testing machine. This type of SCB is modeled using finite element method and analyzed by ANSYS software. The test and analysis results show that this type of innovative SCB possesses energy dissipation capacity and self‐centering ability. This paper also describes the multistage working mechanism of the SCBs and exhibits the mechanical behaviors of the braces. The hysteretic behavior of steel frame structures with conventional braces, the buckling‐restrained braces, and the SCBs are compared by conducting low‐frequency cyclic loading. Nonlinear dynamic analyses of steel frame structures with the conventional braces, the buckling‐restrained braces, and the SCBs under frequently occurred earthquake, design basis earthquake, and rare earthquake, respectively, are also performed to compare the seismic responses of steel structures with different braces. The seismic behaviors of these frames are investigated by comparing the peak acceleration, the maximum interstory displacement angle, and the maximum base shear. The results show that the innovative SCB possesses excellent energy dissipation capacity as well as self‐centering ability. Additionally, the innovative SCBs can effectively control the seismic response of the steel frame structure.
Remaking stormwater as a resource: Technology, law, and citizenship
Authors: Cousins Joshua J. 
Published: June 2018

This review examines how stormwater is being rethought of as a resource in urban planning and governance. No longer administered simply as a conveyance problem, a range of actors are progressively repurposing stormwater as an underutilized resource that can resolve water quality and quantity challenges. I suggest this transition emerged out of the need to address a host of problems rooted in the institutional and infrastructural legacy of treating stormwater as a waste and flood control problem, as well as a new set of concerns associated with climate change, continued urbanization, and fiscal and administrative cuts. As a response, a number of technical and political mechanisms are looking to remake stormwater as a resource. In particular, the review focuses on the role of green infrastructure and technological change, legal structures, and incentives to enroll citizens into the governance process. These practices assemble stormwater as a resource by configuring diverse forms of knowledge, technology, and relations that meet political goals to build smart, resilient, and sustainable cities.This article is categorized under:

Engineering Water > Sustainable Engineering of Water
Human Water > Water Governance
Science of Water > Water Quality
Group-Based Expert Walkthroughs to Compensate for Limited Access to Target User Groups as in Case of Chronically Ill Patients
Authors: Gappa Henrike , Nordbrock Gaby , Mohamad Yehya , Velasco Carlos A. 
Published: June 2018

Abstract
Involvement of real end users right from the beginning of an IT project is understood nowadays as good practice particularly in research projects where new and innovative concepts are to be investigated. In some situations, this is not feasible though, because this would cause unreasonable burden on target users, e.g., in case of chronically ill older patients or it is simply not possible, because administrative hurdles like permission by ethical committees need to be overcome, therefore it is necessary to install substituting methods. In the PICASO project (Personalised Integrated Care Approach for Service Organisations and Care Models for Patients with Multi-Morbidity and Chronic Conditions) this was achieved by implementing group-based expert walkthroughs where experts with different work-domain expert knowledge, in this case from usability, accessibility, clinical practice and software development, walked through an application by following typical usage scenarios target users are supposed to achieve. In contrast to the original method outcomes of walkthroughs were documented in form of software requirements, i.e. essential functionalities and features of the envisioned application instead of usability and accessibility issues. This way a reference document for developers evolved that closed the gap in bringing user requirements to application development.
SubtitleFormatter: Making Subtitles Easier to Read for Deaf and Hard of Hearing Viewers on Personal Devices
Authors: Kushalnagar Raja , Kushalnagar Kesavan 
Published: June 2018

Abstract
For deaf or hard of hearing (DHH) viewers who cannot understand speech, many countries require video producers/distributors to provide speech-to-text over the video, also called subtitles that can be turned on or off by the viewer. These subtitles must comply with national subtitle quality standards. The growth in video capable personal devices has shifted viewers away from watching broadcast video on a standardized television display and towards watching video on interactive personal devices. However, personal devices range widely from tiny watch displays to enormous television displays, with different proportions which impact subtitle readability. SubtitleFormatter automatically formats subtitles according to a display’s screen size and minimum font size for reading. A user study of subtitle formatting evaluates subtitle readability, and finds that viewers preferred SubtitleFormatted-segmented subtitles over wrap around (arbitrarily-formatted) subtitles.
Co-exploring Interaction Opportunities for Enabling Technologies for People with Rheumatic Disorder
Authors: Joshi Suhas Govind , Valen Jørgen 
Published: June 2018

Abstract
This paper presents a case of co-design for people with rheumatic disorder to support the argument of opening up the design space to include interaction opportunities found in the physical world. The position argued for is that opening up the design space beyond common screen-based interfaces may contribute to the design of enabling technologies for people with rheumatic disorders by acknowledging their varying capabilities during both design and use. The presented results consist of one thematic analysis of home interviews and group discussions as well as one statistical analysis of the results from a formative evaluation of six conceptual prototypes developed along with the participants. The paper uses the combination of the thematic analysis, the six conceptual prototypes, and formative evaluation of performance scores and preference ratings to demonstrate how our co-design process involving users with rheumatic disorder in all phases allowed participants to discover both limitations and opportunities as they explored and co-designed alternative concepts.
Techniques for Improved Speech-Based Access to Diagrammatic Representations
Authors: Murillo-Morales Tomas , Miesenberger Klaus 
Published: June 2018

AbstractNatural language interfaces (NLIs) are a novel approach to non-visual accessibility of diagrammatic representations, such as statistical charts. This paper introduces a number of methods that aim to compensate for the lack of sight when accessing semantically-enhanced diagrams through a Web-based NLI.
Multivariate Calibration and Experimental Validation of a 3D Finite Element Thermal Model for Laser Powder Bed Fusion Metal Additive Manufacturing
Authors: Mahmoudi Mohamad , Tapia Gustavo , Karayagiz Kubra , Franco Brian , Ma Ji , Arroyave Raymundo , Karaman Ibrahim , Elwany Alaa 
Published: June 2018

AbstractMetal additive manufacturing (AM) typically suffers from high degrees of variability in the properties/performance of the fabricated parts, particularly due to the lack of understanding and control over the physical mechanisms that govern microstructure formation during fabrication. This paper directly addresses an important problem in metal AM: the determination of the thermal history of the deposited material. Any attempts to link process to microstructure in AM would need to consider the thermal history of the material. In situ monitoring only provides partial information and simulations may be necessary to have a comprehensive understanding of the thermo-physical conditions to which the deposited material is subjected. We address this in the present work through linking thermal models to experiments via a computationally efficient surrogate modeling approach based on multivariate Gaussian processes (MVGPs). The MVGPs are then used to calibrate the free parameters of the multi-physics models against experiments, sidestepping the use of prohibitively expensive Monte Carlo-based calibration. This framework thus makes it possible to efficiently evaluate the impact of varying process parameter inputs on the characteristics of the melt pool during AM. We demonstrate the framework on the calibration of a thermal model for laser powder bed fusion AM of Ti-6Al-4V against experiments carried out over a wide window in the process parameter space. While this work deals with problems related to AM, its applicability is wider as the proposed framework could potentially be used in many other ICME-based problems where it is essential to link expensive computational materials science models to available experimental data.