bluuebunny/crossref_metadata_2025_split huggingface dataset:
A comparative analysis and guide to virtual reality robotic surgical simulators
Authors: Julian Danielle , Tanaka Alyssa , Mattingly Patricia , Truong Mireille , Perez Manuela , Smith Roger 
Published: January 2018

AbstractBackgroundSince the US Food and Drug Administration approved robotically assisted surgical devices for human surgery in 2000, the number of surgeries utilizing this innovative technology has risen. In 2015, approximately 650 000 robot‐assisted procedures were performed worldwide. Surgeons must be properly trained to safely transition to using such innovative technology. Multiple virtual reality robotic simulators are now commercially available for educational and training purposes. There is a need for comparative evaluations of these simulators to aid users in selecting an appropriate device for their purposes.MethodsWe conducted a comparison of the design and capabilities of all dedicated simulators of the da Vinci robot – the da Vinci Skills Simulator (dVSS), dV‐Trainer (dVT), Robotic Skills Simulators (RoSS) and the RobotiX Mentor. This paper provides the base specifications of the hardware and software, with an emphasis on the training capabilities of each system.ResultsEach simulator contains a large number of training exercises for skills development: dVSS n = 40, dVT n = 65, RoSS n = 52, RobotiX Mentor n = 31. All four offer 3D visual images but use different display technologies. The dVSS leverages the real robotic surgical console to provide visualization, hand controls and foot pedals. The dVT, RoSS and RobotiX Mentor created simulated versions of all of these control systems. Each includes systems management services that allow instructors to collect, export and analyze the scores of students using the simulators.ConclusionsThis study provides comparative information on the four simulators' functional capabilities. Each device offers unique advantages and capabilities for training robotic surgeons. Each has been the subject of validation experiments, which have been published in the literature. But those do not provide specific details on the capabilities of the simulators, which are necessary for an understanding sufficient to select the one best suited for an organization's needs. This article provides comparative information to assist with that type of selection.
Pd‐Catalyzed C‐H/N‐H Arylation: One‐Pot Synthesis of Indolo[1, 2‐f]phenanthridines
Authors: Kong Lingkai , Yao Qiyi , Wang Mengdan , Sun Ruizhuo , Li Yanzhong 
Published: January 2018

AbstractA novel Pd‐catalyzed method for the synthesis of indolo[1, 2‐f]phenanthridines from 2‐bromo‐2′‐iodo‐1,1′‐biphenyl and indole derivatives has been reported. The reaction involves direct N−H and C2‐H arylation of indole. This Pd‐catalyzed double arylation provides a useful route to synthesize indolo[1, 2‐f]phenanthridine derivatives from simple and readily accessible starting materials.
Nickel‐Palladium‐Based Electrochemical Sensor for Quantitative Detection of Formaldehyde
Authors: Nachaki Ernest O. , Ndangili Peter M. , Naumih Noah M. , Masika Eric 
Published: January 2018

AbstractFormaldehyde is a small organic molecule that has a wide range of uses in society despite its toxicity. Formaldehyde is classified as a “known carcinogen” by International Agency for Research on Cancer (IARC). Formaldehyde electrooxidation has become a subject of major interest in the recent past due to its potential application in fuel cell technology and the need for its detection at trace levels because of its toxicity. Many studies have been conducted on formaldehyde electrooxidation, most of which suffer electrode passivation as a result of adsorbed intermediates such as carbon monoxide adsorbed (COads) and formic acid adsorbed (H2COOads) formed from electrooxidation of formaldehyde. In this study a Nickel Palladium nanoparticles modified glassy carbon electrode (Ni−Pd/GCE) was fabricated for electrooxidation of formaldehyde. Palladium nanoparticles were electrochemically deposited onto a bare Glassy Carbon Electrode (GCE) from 2 mM PdCl2 in 0.1 M H2SO4 supporting electrolyte, at a controlled potential of −0.14 V for 240 seconds. The Nickel nanoparticles were electrochemically deposited onto the PdGCE from 0.5 M NiSO4 in 0.1 M H2SO4 supporting electrolyte, at a controlled potential of −1.25 V for 40 seconds. The modified glassy carbon electrode (Ni−Pd/GCE) was conditioned in 0.5 M NaOH for about 50 cycles or more to obtain a reproducible voltammogram. The fabricated electrode was characterized using Cyclic Voltammetry (CV) and Chronoamperometry (CA). The results showed that the electrode had good electrocatalytic properties with respect to formaldehyde electrooxidation as a result of the synergistic effect of Ni and Pd nanoparticles combined with the glassy carbon technology. A sensitive oxidation peak for 1 mM formaldehyde was observed at about 0.43 V vs. Ag/AgCl/KCl (3 M) in 0.5 M NaOH, with a current density of 17 mA/cm2. It had a linear detection range from 10 μM to 1 mM (R=0.9985) and a detection limit of 5.4 μM. The electrode showed significant electrocatalytic activity towards the electrooxidation of formaldehyde in aqueous solution, was selective, reproducible and stable, hence can be used to detect formaldehyde at trace levels and can find application in fuel cells.
Design, Synthesis, Biological Evaluation and Computational Study of Novel Imino‐4‐Aryloxymethyl‐2H‐chromen‐2‐one Derivatives as Potent Anti‐Microbial and Antiinflammatory Agents
Authors: Naik Soniya D. , Hosamani Kallappa M. , Barretto Delicia A. , Joshi Shrinivas D. 
Published: January 2018

AbstractA simple and efficient methodology has been designed to synthesize a series of versatile and novel coumarin based scaffolds displaying several alkyl, halogen, and alkoxy groups from 4‐Bromomethylcoumarins and pre‐functionalized phenol. The title compounds have been evaluated for their in‐vitroanti‐microbial and anti‐inflammatory activity. Physiological properties like lipophilicity and IC50 value have also been calculated. To support the in vitro results, computational experiments were carried out to analyze probable binding modes. The interactions between substituted coumarins and bovine protein showed promising activity with higher C‐score values.
Carbon Nitride‐Supported Silver Nanoparticles: Microwave‐ Assisted Synthesis of Propargylamine and Oxidative C‐C Coupling Reaction
Authors: Patel Sunil B. , Vasava Dilip V. 
Published: January 2018

AbstractIn the present study we have, synthesized silver nanoparticles supported on carbon nitride AgNPs@g‐C3N4 and investigated its catalytic aspects by using microwave. We found that silver nanoparticles supported on g‐C3N4 were highly active in the A3‐coupling reaction of (Aldehyde, secondary amine and terminal alkynes) for the synthesis of propargylamines with excellent yield up to 97% and in C−C coupling reaction of terminal alkynes for the synthesis of 1, 3‐diyne with excellent yield up to 98%. We have achieved excellent TON (72932), TOF (3636 min−1), E‐factor (0.27) and atom economy AE (94%). Reaction parameters like effect of catalyst quantity, effect of time and effect of temperature was deeply studied. The catalyst was characterized by SEM, HR‐TEM, EDX, XRD, ICP‐AES and IR.
Virtual Screening, Molecular Docking, and DFT Studies of Some Thiazolidine‐2,4‐diones as Potential PIM‐1 Kinase Inhibitors
Authors: Asati Vivek , Thakur Santosh S. , Upmanyu Neeraj , Bharti Sanjay K. 
Published: January 2018

AbstractIn the present study, ZINC database has been used for virtual screening of thousand of compounds based on previously reported pharmacophore against PIM‐1 kinase. These compounds were further screened by Glide docking methodologies such as high throughput virtual screening (HTVS), standard precision (SP) and extra precision (XP), against PIM‐1 kinase (PDB ID: 4DTK). Eight top‐ranked compounds ZINC22066185, ZINC05678245, ZINC16431468, ZINC05773728, ZINC36633741, ZINC16779084, ZINC19909862 and ZINC15056464, were selected by virtual screening and docking studies. These compounds were showed better binding affinities towards PIM‐1 kinase by using amino acid residues such as LYS67, GLU171, ASP128, and ASP186. The top‐ranked compounds were showed their predicted binding energies with PIM‐1 kinase in the range of −9.06, −8.45, −8.96, −8.78, −8.63, −8.56, −8.56 and −8.30 kcal/mol, respectively. Various reference ligands of PDB ID: 4DTK, 3VBQ and 3VC4, were also taken for docking study on protein kinase (PDB ID: 4DTK) to find out the comparative Glide score of receptor ligand complexes. To confirm the inhibitors potencies, the orbital energies, such as HOMO and LUMO, of the hit compounds were calculated. The results of the study showed that ZINC22066185 and ZINC16779084, may be considered as prototype compounds for further development of potential PIM‐1 inhibitors.
Band Engineering via Sn‐doping of Zinc Oxide Electron Transport Materials for Perovskite Solar Cells
Authors: Su Tongyu , Zheng Yuanhui , Ma Zongwei , Cheng Long , Xu Xueli , Zhang Fapei , Yu Gui , Sheng Zhigao 
Published: January 2018

AbstractThe performance of planar perovskite solar cells (PSCs) is quite dependent on the interfacial conditions and then the interfacial band engineering is very important not only for the effective improvement of power conversion efficiency (PCE) but also for the better understanding of the charge transfer in the cells. In this report, the band engineering of the ZnO based electron transport layer (ETL) in PSCs was studied by modulating Sn‐doping level (0 ≤ x ≤ 0.2). A V‐like variation of work function (Wf) as function of Sn‐doping level in Zn1‐xSnxO1+x films was realized from 4.23 to 4.39 eV. As a result, the photovoltaic performance of PSCs with the Zn1‐xSnxO1+x ETLs was adjusted and the V‐like tendencies of photovoltaic parameters of devices, such as open‐circuit voltage (VOC) and the short‐circuit current (JSC), were found. The maximum values of VOC and JSC were achieved as 1.04 V and 20.68 mA cm−2 with an ETL of Zn1‐xSnxO1+x, respectively, which corresponds to a highest PCE of 14.12% for ZnO‐based pervoskite solar cells with a large fill factor of 65.62.
Nuclear Magnetic Resonance Characterization of Renewable Products from a Two‐Step Ex‐Situ Hydropyrolysis Vapor Upgrading Process
Authors: Lai Jinfeng , Zhang Liang , Gong Kening 
Published: January 2018

AbstractA novel two‐step ex‐situ hydropyrolysis vapor upgrading (HPVU) process can generate tailored oxygenated hydrocarbon products from lignocellulosic biomass by adjusting vapor upgrading temperature. Such products, containing varied oxygen contents (ranging from 2 to 17 wt%), are different from traditional petroleum hydrocarbons and conventional biomass‐derived pyrolysis oil. Elucidation of the comprehensive structural motif of these unconventional products is critical for development and deployment of the HPVU process. To this end, two‐dimensional heteronuclear 1H‐13C NMR techniques were employed to first provide single‐ and multiple‐bond correlations between protons and carbons characteristic of different organic functional groups. The distribution of carbon functional groups was further determined by quantitative 13C NMR spectroscopy with full relaxation and well‐defined chemical shift regions obtained from diverse NMR methods. Phenols and ketones were identified as the main oxygenate species in these renewable products. At higher vapor upgrading temperatures, a decrease in oxygenate species and an increase in alkylation on aromatic rings were observed. Of particular importance, compared to pyrolysis oil, the amounts of thermally unstable oxygenate species, such as aldehyde, carboxylic acid, and carbohydrate, were found to be minimal, suggesting good thermal stability of these renewable hydrocarbon products.
High Tap Density Li4Ti5O12 Anode Materials Synthesized for High Rate Performance Lithium Ion Batteries
Authors: Gao Yuanrui , Cheng Chongling , An Juan , Liu Hongjiang , Zhang Dengsong , Chen Guorong , Shi Liyi 
Published: January 2018

AbstractWe report a simple strategy to synthesize high tap density Li4Ti5O12 particles with excellent electrochemical performance, whose tap density could be controlled by the starting materials. A series of high tap density Li4Ti5O12 particles are successfully synthesized with high tap density TiO2 through hydrothermal process with a short post‐annealing. The electrochemistry performances of them were carefully researched in this work. The high tap density Li4Ti5O12 showed similar performance with normal Li4Ti5O12 particles. The highest tap density of Li4Ti5O12 particles is 1.4 g⋅cm−3, whose capacity is 134 mAh⋅g−1 at 10 C. Those high tap density Li4Ti5O12 display their promising commercial application in high‐energy density lithium ion batteries.
CI24‐Si: a Semiconducting Silicon Phase with an All‐sp3 Bonding Network
Authors: Lu Yihua , Zhu Xi , Wang Min 
Published: January 2018

AbstractA silicon allotrope which consists of 24 atoms in a body centered cubic cell and displays an symmetry (termed as cI24‐Si) with a mass density of 2.38 g/cm3, is theoretically investigated. This silicon phase has an all‐sp3 network with hexagons. Phonon dispersion confirms its dynamical stability and elastic constant implies it is mechanically stable. The analysis of electronic band structure performing by HSE06 functional shows that cI24‐Si is an indirect semiconductor with a small band gap of 0.83 eV. Additionally, its direct band gap is only 0.02 eV larger than the indirect band gap, indicating that cI24‐Si possesses a quasi‐direct band gap. The calculations of imaginary part of dielectric function and optical absorption for cI24‐Si show that it has better optical properties than diamond‐like Si−I phase as it can capture more sunlight from visible to ultraviolet range. To provide more characterizations for future experimental observations, X‐ray diffraction patterns and Raman spectra are also theoretically simulated. Due to its small band gap, cI24‐Si may possess potential electronic, optical and photovoltaic applications.
Confinement of Reagents in Crystalline Matrix with the Help of Magnetic Field
Authors: Luo Yang‐Hui , Chen Chen , Wang Jing‐Wen , He Xiao‐Tong , Hong Dan‐Li , An Pei‐Jing , Wu Hong‐Shuai , Sun Bai‐Wang 
Published: January 2018

AbstractAlkyl‐amines with formula CnH2n+1‐NH2 (n=8, 10, 12, 14 and 16), either liquid or solid at room temperature, can form a stripe‐like crystalline matrix with 1.6‐2.1 nm width when in the presence of an external magnetic field, that able to confine the H2dcbp (4,4’‐diacarboxy‐2,2’‐bipyridine) molecules within the stripes interval with stoichiometry of 2:1. This confinement, which can improve the alcohol solubility of H2dcbp remarkably, has facilitated the construction of mononuclear spin‐crossover complex Fe(H2Bpz)2(H2dcbp) (H2Bpz=dihydrobis(1‐pyrazolyl)borate). Thus, the crystalline matrix may provide a convenient method for construction of new hybrid materials derived from H2dcbp and its analogue, through hierarchy control of both the coordination bonding and the hydrogen bonding of H2dcbp at a mild condition.
Synergistic Bronsted‐Lewis Acidity Effect on Upgrading Biomass‐Derived Phenolic Compounds: Statistical Optimization of Process Parameters, Kinetic Investigations and DFT Study
Authors: Patra Tanmoy , Afreen Gul , Parveen Firdaus , Kumar Komal , Bahri Shashank , Upadhyayula Sreedevi 
Published: January 2018

AbstractBiomass‐derived phenolic compounds and small oxygenates obtained from pyrolysis of lignocellulosic biomass needs to be upgraded to obtain the C10‐C13 range fuel precursors. In this context, iso‐propylation of m‐cresol was performed in batch reactors using multifunctional ionic liquids (ILs) as catalysts. Environmentally benign Bronsted‐Lewis acidic ILs were synthesized and characterized using 1H NMR, 13C NMR and Raman spectroscopic data. Relative Bronsted and Lewis acidity of these ILs were compared using UV‐Visible and FTIR spectroscopic data and the effect of acidity on the catalytic activity and product selectivity in alkylation of m‐cresol with iso‐propyl alcohol was investigated. Correlation of acidity and catalytic activity was confirmed by theoretical DFT study on IL structures. High conversion of m‐cresol (95.6%) was obtained using ZnCl2 containing IL, at 393 K temperature and 2:1:1 alcohol: m‐cresol: IL molar ratio, within 5 h of reaction time. The activity and recoverability of these ILs were retained even after 8 recycles. The effect of process parameters like reaction time, temperature, reactant mole ratio and catalyst to reactant mole ratio was investigated and optimized from design of experiments results. A plausible reaction mechanism was formulated based on the product distribution and a kinetic model was developed to estimate the activation energy (45.70 kJ mol−1) and pre‐exponential factor (247.78 lit. mol−1 min−1).
Synthesis of Carbolines via Microwave‐Assisted Cadogan Reactions of Aryl‐Nitropyridines
Authors: Limbach Daniel , Geffe Mario , Detert Heiner 
Published: January 2018

AbstractSuzuki‐Miyaura‐couplings to aryl‐nitropyridines followed by Cadogan reactions is a straight‐forward method for the synthesis of δ‐ and β‐carbolines. Microwave irradiation of the nitrobiaryls in triethyl phosphite solutions conveniently gives moderate to very good yields of the carbolines. Reduction to the amines without cyclization occurs on certain substrates, and alkylation of the products is observed as a follow‐up reaction. Instead of α‐carbolines, naphthonitriles are generated by phosphite reduction and ring transformation.
Chemoselective Suzuki Coupling of Bromoarenes Catalysed by Palladium(II)‐Complexing Macrocycles in Aqueous Media
Authors: Ogawa Masahiro , Sogawa Hiromitsu , Mizuno Shunya , Aoki Daisuke , Takata Toshikazu 
Published: January 2018

AbstractPalladium‐complexing macrocyclic catalysts efficiently and chemoselectively catalysed the Suzuki coupling reaction of bromoarenes. Bromobenzene and 2‐bromopyridine were efficiently monoarylated with 4‐methoxyphenylboronic acid when catalysed by macrocyclic catalysts comprising cyclic pyridine‐2,6‐bisamide pincer‐type ligands with palladium (II) located in the inner cavity (PdMCs). The Suzuki coupling of 2,6‐dibromopyridine to aryl boronic acids catalysed by PdMCs afforded the corresponding monoarylpyridines with high selectivity and yield, whereas a mixture of mono‐ and di‐arylpyridines was obtained when palladium chloride was used as the catalyst. Interestingly, the chemoselectivity increased as the cavity size of the PdMCs decreased. The high chemoselectivity seemed to arise from the steric effect of the macrocyclic ligand. Moreover, an unsymmetrical 2,6‐diarylpyridine was successfully synthesised in high yield by two sequential couplings employing PdMCs followed by palladium chloride.
Transaction surplus superiority in canonical market segments: Using the profit map to guide positioning and investment choices across price‐rivalry regimes
Authors: Postrel Steven 
Published: January 2018

Research Summary: Strategy needs an “intermediate measure” of competitive strength easily linked to management choices. “Competitive advantage” fails to accomplish this because most formulations of it violate important criteria and because these formulations are so diverse. I show that one intermediate measure, transaction surplus superiority (TSS), potentially solves both problems. Critically, TSS is defined independently of prices and its usefulness is independent of the degree of price competition: In “canonical” market segments, firms with TSS always make superior segment profits (gross of sunk investments) compared to rivals. When combined with a restriction to “incentive‐compatible pricing behavior,” TSS limits or solves the theoretical problem of indeterminate rivalry among oligopolists. Finally, TSS allows precise explanation of when sunk investments to improve efficiency are stimulated or suppressed by the “spur of competition.”Managerial Summary: Executives need a conceptual “instrument panel”—“intermediate measures” of competitive strength—to help choose their products and processes. Profit itself is too causally remote from these choices to serve. “Competitive advantage” has been defined in ways that either just mean superior profits or that depend on strong assumptions about price competition that frequently don't apply. Transaction Surplus Superiority (TSS) solves these problems. In an important special case, a “profit map” completely describes each firm's profitability for any combination of price competition and TSS. For choices where sunk cost differences typically aren't important (e.g., product color or inventory policy), TSS is a universal guide to action. TSS helps decide whether to increase price competition to gain market share, and it largely determines whether a given investment in efficiency makes sense.
Vom Brandversuch zum Feuerwiderstand: Neues Prüf‐ und Bewertungsverfahren für filigrane Stahlzugglieder mit reaktivem Brandschutzsystem
Authors: Häßler Dustin , Hothan Sascha 
Published: January 2018

AbstractIm Stahlbau wird die feuerwiderstandserhöhende Wirkung reaktiver Brandschutzsysteme (RBS) bereits seit Jahrzehnten erfolgreich und mit stetig wachsender Nachfrage genutzt. Die Anwendung dieser Systeme wird durch Zulassungen geregelt. Die Ermittlung des Beitrages reaktiver Brandschutzsysteme zur Feuerwiderstandsdauer von Stahlbauteilen wird in der Regel mit Hilfe von mechanisch belasteten und unbelasteten Brandversuchen beurteilt. Ein entsprechendes Prüf‐ und Bewertungsverfahren war bisher für Träger und Stützen, jedoch nicht für Zugglieder vorhanden [1]. Mehrjährige Forschungen [2], [3] haben in Deutschland zur Entwicklung eines neuen Prüf‐ und Bewertungsverfahrens geführt, so dass der durch Zulassungen geregelte Anwendungsbereich reaktiver Brandschutzsysteme auf filigrane Stahlzugglieder, insbesondere mit Vollprofil, erweitert werden konnte. Der Beitrag beschreibt die Besonderheiten und Herausforderungen für den Einsatz von reaktiven Brandschutzsystemen auf filigranen Stahlzuggliedern, die wesentlichen Einflussparameter sowie die maßgebenden Versagensmechanismen. Ferner wird gezeigt, wie anhand von Brandversuchen, Materialuntersuchungen im Hochtemperaturbereich und numerischen Simulationen das neue Prüf‐ und Bewertungsverfahren entwickelt, validiert und angewendet wurde. Abschließend erfolgt ein Ausblick auf noch zu untersuchende Fragestellungen, z. B. hinsichtlich der Bauteilorientierung sowie zum Umgang mit den Anschlussbauteilen von Stahlzuggliedern.
50 Jahre Rheinbrücke Bonn‐Nord (Friedrich‐Ebert‐Brücke)
Authors: Saul Reiner , Angelmaier Volkhard , Stockmann Rico 
Published: January 2018

AbstractHerrn Univ.‐Prof. em. Dr.‐Ing. Dr.‐Ing. E.h. Joachim Scheer zur Vollendung seines 90. Lebensjahres gewidmetDie am 28. Juni 1967 eingeweihte Rheinbrücke Bonn‐Nord war weltweit die erste Schrägseilbrücke mit einem in Brückenachse angeordneten Vielseilsystem (80 vollverschlossene Seile) und hat eine Mittelöffnung von 280 m. Der 36,3 m breite Überbau besteht aus einem Hohlkasten und breiten Kragarmen. Die 49,4 m hohen Pylone sind ebenfalls aus Stahl. Die Seitenöffnungen wurden auf den endgültigen und Hilfspfeilern montiert, die Mittelöffnung im Freivorbau. Es wird über den Entwurf, die Werkstattfertigung und die Montage berichtet sowie über eine kürzliche Untersuchung des baulichen Zustands und die Nachrechnung nach den Eurocodes. Obwohl die Brücke nicht in allen Punkten den heutigen rechnerischen Anforderungen genügt, wurden keine gravierenden Mängel der Tragkonstruktion festgestellt. Die Lebensdauer der Brücke wird also nicht durch ihre Tragfähigkeit bestimmt, sondern durch das in Zukunft noch größere Verkehrsaufkommen, das möglicherweise um 2040 eine breitere Brücke erfordern könnte.