bluuebunny/crossref_metadata_2025_split huggingface dataset:
In Situ Monitoring of Pit Nucleation and Growth at an Iron Passive Oxide Layer by using Combined Atomic Force and Scanning Electrochemical Microscopy
Authors: Izquierdo Javier , Eifert Alexander , Kranz Christine , Souto Ricardo M. 
Published: July 2015

AbstractGeneration of single corrosion pits and in situ monitoring of pit growth on iron exposed to 0.5 m NaCl solution was achieved by using combined atomic force and scanning electrochemical microscopy (AFM–SECM). Pits as small as 2.7 μm in diameter were formed at arbitrary locations on the substrate through the local generation of highly concentrated nitric acid in the vicinity of the AFM–SECM probe. Addition of nitrite ions to the environment, which act as corrosion inhibitors for iron, ensures passivation of the metal and hinders metal corrosion, despite exposure to the chloride‐containing media. Localized acidification was achieved by oxidizing nitrite ions at the probe. Acidification in combination with the high chloride content in the solution led to a local rapid attack at the surface and pit generation below the AFM–SECM probe. Besides improved spatial resolution and precise control of the pit nucleation site, combined AFM–SECM allows simultaneous imaging of the generated pits by the AFM tip.
Electrocatalytic Activity and Stability of Platinum Nanoparticles Supported on Carbon–Molybdenum Oxides for the Oxygen Reduction Reaction
Authors: Martins Pedro F. B. D. , Ticianelli Edson A. 
Published: July 2015

AbstractThe degradation of Pt‐based electrocatalysts used in proton‐exchange membrane fuel cell (PEMFC) cathodes is one of the main issues restricting the widespread application of PEMFCs as energy converters. This work aims to contribute to the improvement of the stability of platinum nanoparticles (Pt NPs) by modifying the support to which they are anchored. Thus, syntheses of catalyst supports based on molybdenum oxides and carbon are carried out, followed by impregnation of the supports with Pt NPs. The Pt/MoO3–C catalyst shows the highest specific activity in the oxygen reduction reaction (ORR), and this must be because of synergistic metal–support effects. Regarding the electrochemical stability of the materials, it is observed that, in principle, none of the Mo oxides decrease the extent of Pt degradation. However, after comparing the specific ORR activities before and after electrochemical ageing, it is concluded that Pt/MoO2*–C is a more stable material compared to Pt/C and Pt/MoO3–C.
Alkali‐Ion Storage Behaviour in Spinel Lithium Titanate Electrodes
Authors: Pan Huilin , Sun Yang , Mu Linqin , Hu Yong‐Sheng , Chen Liquan , Huang Xuejie 
Published: July 2015

AbstractThe alkali‐ion storage in spinel lithium titanate (Li4Ti5O12) is comprehensively investigated in this work. In Li4Ti5O12, Na storage is more dependent on the particle size compared to Li storage. Electrochemical results show a Na‐storage capacity from 150 to 16 mAh g−1, with increasing particle size from 50 to 500 nm, whereas the Li‐storage capacity appears to be independent of particle size. The Na‐storage rate capability in Li4Ti5O12 is much worse than that of Li, probably because of the sluggish Na+ diffusion in Li4Ti5O12. Ab initio molecular dynamics simulations also indicate that this can be attributed to the slow diffusion kinetics of Na+ in spinel Li4Ti5O12.
Reaction Mechanism of the Symmetry‐Forbidden [2+2] Addition of Ethylene and Acetylene to Amido‐Substituted Digermynes and Distannynes Ph2NEENPh2, (E=Ge, Sn): A Theoretical Study
Authors: Zhao Lili , Jones Cameron , Frenking Gernot 
Published: July 2015

AbstractQuantum chemical calculations of reaction mechanisms for the formal [2+2] addition of ethylene and acetylene to the amido‐substituted digermyne and distannyne Ph2NEENPh2 (E=Ge, Sn) have been carried out by using density functional theory at the BP86/def2‐TZVPP level. The nature and bonding situations were studied with the NBO method and with the charge and energy decomposition analysis EDA‐NOCV. The addition of ethylene to Ph2NEENPh2 takes place through an initial [2+1] addition to one metal atom and consecutive rearrangement to four‐membered cyclic species, which feature a weak EE bond. Rotation about the CC bond with concomitant rupture of the EE bond leads to the 1,2‐disubstituted ethanes, which have terminal E(NPh2) groups. The overall reaction Ph2NEENPh2+C2H4→(Ph2N)EC2H4E(NPh2) has very low activation barriers and is slightly exergonic for E=Ge but slightly endergonic for E=Sn. The analysis of the electronic structure shows that there is charge donation of nearly one electron to the ethylene moiety already in the first part of the reaction. The energy partitioning analysis suggests that the HOMO(Ph2NEENPh2)→LUMO(C2H4) interaction has a similar strength as the HOMO(C2H4)→LUMO(Ph2NEENPh2) interaction. The [2+2] addition of acetylene to Ph2NEENPh2 also takes place through an initial [2+1] approach, which eventually leads to 1,2‐disubstituted olefins (Ph2N)EC2H2E(NPh2). The formation of the energetically lowest lying conformations of cis‐(Ph2N)EC2H2E(NPh2), which occurs with very low activation barriers, is clearly exergonic for the germanium and the tin compound. The trans‐coordinated isomers of (Ph2N)EC2H2E(NPh2) are slightly lower in energy than the cis form but they are separated by a substantial energy barrier for the rotation about the CC bond. The energy decomposition analysis indicates that the initial reaction takes place under formation of electron‐sharing bonds between triplet fragments rather than HOMO–LUMO interactions.
Dynamic Ligand Reactivity in a Rhodium Pincer Complex
Authors: Tang Zhou , Otten Edwin , Reek Joost N. H. , van der Vlugt Jarl Ivar , de Bruin Bas 
Published: July 2015

AbstractInvited for the cover of this issue is the group of Bas de Bruin and Jarl Ivar van der Vlugt at the University of Amsterdam. The image depicts the complementary nucleophilic and electrophilic ligand arms of a new cooperative PNN pincer ligand. Read the full text of the article at 10.1002/chem.201501453.
Stable Hydrophobic Ionic Liquid Gel Electrolyte for Stretchable Fiber‐Shaped Dye‐Sensitized Solar Cell
Authors: Li Houpu , Guo Jiajie , Sun Hao , Fang Xin , Wang Donghai , Peng Huisheng 
Published: July 2015

AbstractFiber‐shaped dye‐sensitized solar cells have attracted increasing interest in powering wearable and portable electronic devices. However, the use of liquid electrolytes gives rise to vulnerabilities, greatly limiting their practical applications. Here we develop a stable gel electrolyte based on polymer–ionic liquid gel with high nonvolatility and durability. The gel electrolyte maintains a quasi‐solid state from room temperature to 98 °C and can sustain high temperatures up to 300 °C. Based on this gel electrolyte, the resulting fiber‐shaped dye‐sensitized solar cell achieves a power conversion efficiency of 5.47 % that remains at 90 % after 30 days. The gel electrolyte makes the device more environmentally adaptive and compatible to bending and stretching deformations.
Pharmaceuticals and Surfactants from Alga‐Derived Feedstock: Amidation of Fatty Acids and Their Derivatives with Amino Alcohols
Authors: Tkacheva Anastasia , Dosmagambetova Inkar , Chapellier Yann , Mäki‐Arvela Päivi , Hachemi Imane , Savela Risto , Leino Reko , Viegas Carolina , Kumar Narendra , Eränen Kari , Hemming Jarl , Smeds Annika , Murzin Dmitry Yu. 
Published: July 2015

AbstractAmidation of renewable feedstocks, such as fatty acids, esters, and Chlorella alga based biodiesel, was demonstrated with zeolites and mesoporous materials as catalysts and ethanolamine, alaninol, and leucinol. The last two can be derived from amino acids present in alga. The main products were fatty alkanol amides and the corresponding ester amines, as confirmed by NMR and IR spectroscopy. Thermal amidation of technical‐grade oleic acid and stearic acid at 180 °C with ethanolamine were non‐negligible; both gave 61 % conversion. In the amidation of stearic acid with ethanolamine, the conversion over H‐Beta‐150 was 80 % after 3 h, whereas only 63 % conversion was achieved for oleic acid; this shows that a microporous catalyst is not suitable for this acid and exhibits a wrinkled conformation. The highest selectivity to stearoyl ethanolamide of 92 % was achieved with mildly acidic H‐MCM‐41 at 70 % conversion in 3 h at 180 °C. Highly acidic catalysts favored the formation of the ester amine, whereas the amide was obtained with a catalyst that exhibited an optimum acidity. The conversion levels achieved with different fatty acids in the range C12–C18 were similar; this shows that the fatty acid length does not affect the amidation rate. The amidation of methyl palmitate and biodiesel gave low conversions over an acidic catalyst, which suggested that the reaction mechanism in the amidation of esters was different.
Trinuclear CuIIStructural Isomers: Coordination, Magnetism, Electrochemistry and Catalytic Activity towards the Oxidation of Alkanes
Authors: Sutradhar Manas , Martins Luísa M. D. R. S. , Guedes da Silva M. Fátima C. , Mahmudov Kamran T. , Liu Cai‐Ming , Pombeiro Armando J. L. 
Published: July 2015

AbstractThe reaction of the Schiff base (3,5‐di‐tert‐butyl‐2‐hydroxybenzylidene)‐2‐hydroxybenzohydrazide (H3L) with copper(II) nitrate, acetate or metaborate has led to the isomeric complexes [Cu3(L)2(MeOH)4] (1), [Cu3(L)2(MeOH)2]·2MeOH (2) and [Cu3(L)2(MeOH)4] (3), respectively, in which the ligand L exhibits dianionic (HL2–, in1) or trianionic (L3–, in2and3) pentadentate 1κO,O′,N:2κN′,O″chelation modes. Complexes1–3were characterized by elemental analysis, IR spectroscopy, single‐crystal X‐ray crystallography, electrochemical methods and variable‐temperature magnetic susceptibility measurements, which indicated that the intratrimer antiferromagnetic coupling is strong in the three complexes and that there exists very weak ferromagnetic intermolecular interactions in1but weak antiferromagnetic intermolecular interactions in both2and3. Electrochemical experiments showed that in complexes1–3the CuIIions can be reduced, in distinct steps, to CuIand Cu0. All the complexes act as efficient catalyst precursors under mild conditions for the peroxidative oxidation of cyclohexane to cyclohexyl hydroperoxide, cyclohexanol and cyclohexanone, leading to overall yields (based on the alkane) of up to 31 % (TON = 1.55 × 103) after 6 h in the presence of pyrazinecarboxylic acid.
Short Stack and Full System Test Using a Ceramic A‐Site Deficient Strontium Titanate Anode
Authors: Verbraeken M. C. , Iwanschitz B. , Stefan E. , Cassidy M. , Weissen U. , Mai A. , Irvine J. T. S. 
Published: July 2015

AbstractA lanthanum and calcium co‐doped A‐site deficient strontium titanate (LSCTA–) was used as alternative anode material in Solid Oxide Fuel Cells (SOFC) with an active area of 100 cm2. Cell performance was tested in both short (5 cell) stack configuration, as well as a full HEXIS Galileo system (nominally 1 kW AC). Impregnation with various electrocatalysts, such as nickel and ceria, yielded promising fuel cell performance at this scale. The system test initially produced 70% of the nominal output power and is to the authors' knowledge the first all‐oxide SOFC test on this scale. The strontium titanate backbone provides sufficient electronic conductivity to ensure acceptable ohmic losses. Power densities up to 200 mA cm−2 could be obtained at 900 °C, which compares well with Ni‐cermet based anodes. Degradation is however severe at 900 °C, due to impregnate coarsening, but operation at 850 °C minimizes this effect. Short stacks could be stably operated for 1,600 hours with an output power of 100 mA cm−2. Stacks are redox stable, but currently not sulphur tolerant.
Hydrocarbon generation and expulsion characteristics of Lower Permian P1f source rocks in the Fengcheng area, northwest margin, Junggar Basin, NW China: implications for tight oil accumulation potential assessment
Authors: Hu Tao , Pang Xiongqi , Yu Sa , Wang Xulong , Pang Hong , Guo Jigang , Jiang Fujie , Shen Weibing , Wang Qifeng , Xu Jing 
Published: July 2015

AbstractCombined with the actual geological settings, tight oil is the oil that occurs in shale or tight reservoirs, which has permeability less than 1 mD and is interbedded with or close to shale, including tight dolomitic oil and shale oil. The Fengcheng area (FA), at the northwest margin of the Junggar Basin, northwest China, has made significant progress in the tight oil exploration of the Fengcheng (P1f) Formation recently, which indicates that the tight oil resources have good exploration prospects. Whereas the lack of recognition of hydrocarbon generation and expulsion characteristics of Permian P1f source rocks results in the misunderstanding of tight oil resource potential. Based on the comprehensive analysis of geological and geochemical characteristics of wells, seismic inversion, sedimentary facies, tectonic burial depth, etc., the characteristics of P1f source rocks were investigated, and the horizontal distributions of the following aspects were predicted: the thickness of source rocks, abundance and type of organic matter. And on this basis, an improved hydrocarbon generation potential methodology together with basin simulation techniques was applied to unravel the petroleum generation and expulsion characteristics of P1f source rocks in FA. Results show that the P1f source rocks distribute widely (up to 2039 km2), are thick (up to 260 m), have high total organic content (TOC, ranging from 0.15 to 4 wt%), are dominated by type II kerogen and have entered into low mature–mature stage. The modeling results indicate that the source rocks reached hydrocarbon generation threshold and hydrocarbon expulsion threshold at 0.5% Ro and 0.85% Ro and the comprehensive hydrocarbon expulsion efficiency was about 46%. The amount of generation and expulsion from the P1f source rocks was 31.85 × 108 and 15.31 × 108 t, respectively, with a residual amount of 16.54 × 108 t within the source rocks. Volumetrically, the geological resource of shale oil is up to 15.65 × 108 t. Small differences between the amounts calculated by the volumetric method compared with that by hydrocarbon generation potential methodology may be due to other oil accumulations present within interbedded sands associated with the oil shales. Copyright © 2015 John Wiley & Sons, Ltd.
GP responses to price regulation: evidence from a French nationwide reform
Authors: Coudin Elise , Pla Anne , Samson Anne‐Laure 
Published: July 2015

SummaryThis paper uses a French reform to evaluate the impacts of overbilling restrictions on general practitioner (GP) care provision, fees and incomes. Since 1990, this reform has introduced conditions self‐employed GPs must fulfil to be permitted to bill freely. We exploit 2005 and 2008 public health insurance administrative data on GP activity and fees. We use fuzzy regression discontinuity techniques to estimate local causal impacts for GPs who established practices in 1990 and who were constrained by the new regulation to charge regulated prices (compliers). We find that those GPs practices to income effects. In the regulated fee regime, GPs face prices lower by 42% and provide 50% more care than they would do in the unregulated fee regime. Male care provision increasing reaction is larger than the female one, which results in a higher male labour income in the regulated fee regime than with unregulated fees, whereas it is the opposite for women. With regulated fees, GPs limit side‐salaried activities, use more lump‐sum payment schemes and occupy more often gatekeeper positions. Copyright © 2015 John Wiley & Sons, Ltd.
Plasmapheresis therapy in ANCA‐associated vasculitides: A single‐center retrospective analysis of renal outcome and mortality
Authors: Solar‐Cafaggi David , Atisha‐Fregoso Yemil , Hinojosa‐Azaola Andrea 
Published: July 2015

BackgroundThe evidence of the benefit of plasmapheresis in renal and survival outcomes in patients with severe manifestations of ANCA‐associated vasculitides is inconsistent.PurposeTo address whether plasmapheresis is associated with improvement in renal function and survival at 12 months in patients with severe manifestations of ANCA‐associated vasculitides.Patients and MethodsSingle‐center retrospective comparative cohort of 24 patients with granulomatosis with polyangiitis or microscopic polyangiitis that received plasmapheresis adjunctive to conventional therapy (steroids and immunosuppressants), matched 1:1 according to age, estimated glomerular filtration rate (eGFR) and disease activity with 24 patients treated with standard treatment only. Comorbidities, demographic, clinical, treatment and laboratory characteristics were recorded.ResultsAfter 12 months both groups showed improvement in eGFR (19.0 ± 14.34 to 41.61 ± 37.77 ml/min, p = 0.003 in plasmapheresis group; 23.16 ± 14.71 to 39.86 ± 25.67 ml/min, p = 0.001 in conventional therapy group). No differences were found between groups (p = 0.68). Patients free of dialysis at 12 months after intervention increased in the plasmapheresis group from 9/24 (38%) to 12/24 (50%), p = 0.5; and in the conventional therapy group from 19/24 (79%) to 22/24 (92%), p = 0.25. Difference between groups was significant at 12 months (p = 0.001). Survival at 12 months after intervention was 79% in the plasmapheresis group and 96% in the conventional therapy group (p = 0.08). The main cause of death was infectious and a tendency for a higher prevalence of severe infections was observed in patients that received plasmapheresis (p = 0.07).ConclusionBoth plasmapheresis and conventional therapy improved eGFR at 12 months after intervention. Dialysis independence and survival were similar between groups. J. Clin. Apheresis 31:411–418, 2016. © 2015 Wiley Periodicals, Inc.
Dimensions and Determinants of Morbidity: Evidence from Slums of Chandigarh
Authors: Kumar Sumit 
Published: July 2015

AbstractSlum dwellers due to their low level of living and unhealthy environment can be at higher risk of illness. The present paper explores the dimension and determinants of morbidity in the slums of Chandigarh. The paper revealed that there is high morbidity among the slum dwellers and there is also co‐existence of both chronic and acute diseases, infectious and lifestyle diseases. The determinants of morbidity are also explored, and factors responsible in curtailing the morbidity among the slum dwellers are identified. Copyright © 2015 John Wiley & Sons, Ltd.
Comparative effectiveness of propranolol and botulinum for the treatment of essential voice tremor
Authors: Justicz Natalie , Hapner Edie R. , Josephs Joshua S. , Boone Benjamin C. , Jinnah Hyder A. , Johns Michael M. 
Published: July 2015

Objectives/HypothesisTo assess the comparative effectiveness of botulinum toxin and propranolol in patients with essential vocal tremor (EVT).Study DesignIndividual prospective cohort study.MethodsStudy patients were recruited at the Emory Voice Center from patients seeking treatment for EVT. Exclusion criteria included current β‐blocker treatment, spasmodic dysphonia, or other disease that prevented the use of propranolol therapy. A 10‐week washout period from prior botulinum toxin treatment occurred before enrollment. Patients were assessed via the Voice‐Related Quality‐Of‐Life (VRQOL) questionnaire, Quality of life in Essential Tremor questionnaire, and blinded perceptual voice assessment. These assessments were made at baseline voice 2 weeks after propranolol therapy and 4 weeks after botulinum toxin injection.ResultsEighteen patients were enrolled. After 2 to 4 weeks of propranolol therapy (with a maximum dosage of 60 mg to 90 mg per day), patients report an average ΔVRQOL of 9.31. Six patients report significant VRQOL improvement >10, with the rest reporting changes between −7.5 and 7.5. Fifteen patients were followed for at least 4 weeks after botulinum toxin injection, reporting an average improvement in scaled VRQOL of 22.00. Blinded perceptual voice assessment demonstrates an improvement in overall severity of tremor with botulinum toxin.ConclusionsIn some patients with EVT, propranolol led to significant vocal improvement with no major side effects. Although botulinum toxin remains the gold‐standard therapy for patients with EVT, propranolol represents a possible alternative or adjuvant therapy for certain patients.Level of Evidence2b. Laryngoscope, 126:113–117, 2016
Laser written circuits for quantum photonics
Authors: Meany Thomas , Gräfe Markus , Heilmann René , Perez‐Leija Armando , Gross Simon , Steel Michael J. , Withford Michael J. , Szameit Alexander 
Published: July 2015

AbstractThe femtosecond laser direct‐writing (FLDW) of waveguide circuits in glasses has seen interest from a number of fields over the previous 20 years. It has evolved from a curiosity to a viable platform for the rapid prototyping of small scale circuits. The field of quantum information science has exploited this capability and in the process advanced the fabrication technique. In this review the technological aspects of the laser inscription method relevant to quantum information science will be discussed. A range of demonstrations which have been enabled by laser written circuits will be outlined; these include novel circuits, simulations, photon sources and detection. This places the FLDW technique among the few integrated optical platforms to have produced individually every component required for scalable quantum computation.
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Intrinsic optical intersubband bistability in quantum‐well structures: External factor effect
Authors: Bondarenko Victor 
Published: July 2015

AbstractAbstractauthoren A generalized cubic equation is presented to describe the intrinsic optical bistability (IOB) process in a two‐level system within the rotating wave approximation when repopulation of the two levels is governed not only by the incident radiation with changing intensity but also by an additional external factor (X‐factor). Numerical simulations are performed for two‐ and three‐quantum‐well (QW) systems without and within a microcavity. The obtained results demonstrate that a relatively small change of the X‐factor‐caused repopulation of the subbands (as in all QWs simultaneously as in only one selected QW) can produce a dramatic effect on the reflectance dependence upon the incident radiation intensity, in particular on the IOB pictures. It is shown that the IOB process (dubbed as the IOBX) can be driven by the cyclic change of the X‐factor‐caused repopulation of the subbands at a carefully chosen fixed value of the incident radiation intensity.