bluuebunny/crossref_metadata_2025_split huggingface dataset:
Recent Progress on Nickel‐Based Oxide/(Oxy)Hydroxide Electrocatalysts for the Oxygen Evolution Reaction
Authors: Chen Yaping , Rui Kun , Zhu Jixin , Dou Shi Xue , Sun Wenping 
Published: July 2018

AbstractDeveloping clean and sustainable energies as alternatives to fossil fuels is in strong demand within modern society. The oxygen evolution reaction (OER) is the efficiency‐limiting process in plenty of key renewable energy systems, such as electrochemical water splitting and rechargeable metal–air batteries. In this regard, ongoing efforts have been devoted to seeking high‐performance electrocatalysts for enhanced energy conversion efficiency. Apart from traditional precious‐metal‐based catalysts, nickel‐based compounds are the most promising earth‐abundant OER catalysts, attracting ever‐increasing interest due to high activity and stability. In this review, the recent progress on nickel‐based oxide and (oxy)hydroxide composites for water oxidation catalysis in terms of materials design/synthesis and electrochemical performance is summarized. Some underlying mechanisms to profoundly understand the catalytic active sites are also highlighted. In addition, the future research trends and perspectives on the development of Ni‐based OER electrocatalysts are discussed.
Ionic Co‐Crystal Formation as a Path Towards Chiral Resolution in the Solid State
Authors: Shemchuk Oleksii , Tsenkova Boryana K. , Braga Dario , Duarte M. Teresa , André Vânia , Grepioni Fabrizia 
Published: July 2018

AbstractThe preparation and characterization of a whole family of hydrated ionic co‐crystals formed by both enantiopure l‐proline and racemic dl‐proline with LiX (X=Cl, Br, I) are reported. The chiral preference of the lithium cation for homochiral coordination, both in the formation of crystalline conglomerates (with Cl and Br) and racemates (with Cl and I), in which molecules of opposite chirality are confined to distinct crystal layers, is discussed. Dehydration processes for all hydrated crystals have also been investigated.
Designing Explosive Poly(Ionic Liquid)s as Novel Energetic Polymers
Authors: Wang Binshen , Feng Yongan , Qi Xiujuan , Deng Mucong , Tian Junjun , Zhang Qinghua 
Published: July 2018

AbstractThe development of ionic‐liquid‐derived functional materials would be vital for stimulation of the interdisciplinary research in the fields of ionic liquid chemistry and material science. Here, a series of novel poly(ionic liquid)s with explosive capability were designed and prepared by introducing the energetic nitrato group and nitro‐rich anions, such as nitrate, dinitramide, and nitroform into the polymeric chains. The as‐synthesized explosive poly(ionic liquid)s (E‐PILs) were fully characterized, and their physicochemical and detonation properties were investigated. All E‐PILs show higher detonation performances than state‐of‐the‐art energetic polymers including glycidyl azide polymer (GAP) and poly(glycidyl nitrate) [poly(GLYN)]. Some E‐PILs exhibit higher calculated detonation velocities and pressures than 2,4,6‐trinitrotoluene (TNT). These E‐PILs are promising candidates for applications as new high‐performance energetic polymers.
Designing Cross‐Coupling Reactions using Aryl(trialkyl)silanes
Authors: Minami Yasunori , Hiyama Tamejiro 
Published: July 2018

AbstractOrgano(trialkyl)silanes have several advantages, including high stability, low toxicity, good solubility, easy handling, and ready availability compared with heteroatom‐substituted silanes. However, methods for the cross‐coupling of organo(trialkyl)silanes are limited, most probably because of their exceeding robustness. Thus, a practical method for the cross‐coupling of organo(trialkyl)silanes has been a long‐standing challenging research target. This article discusses how aryl(trialkyl)silanes can be used in cross‐coupling reactions. A pioneering example is CuII catalytic conditions with the use of electron‐accepting aryl‐ or heteroaryl(triethyl)silanes and aryl iodides. The reaction forms biaryls or teraryls. This design concept can be extended to Pd/CuII‐catalyzed cross‐coupling polymerization reactions between such silanes and aryl bromides or chlorides and to CuI‐catalyzed alkylation using alkyl halides.
Activation of O−H and C−O Bonds in Water and Methanol by a Vanadium‐Bound Thiyl Radical
Authors: Yan Jyun‐An , Yang Zi‐Kuan , Chen Yu‐Sen , Chang Ya‐Ho , Lyu Chiao‐Ling , Luo Chun‐Gang , Cheng Mu‐Jeng , Hsu Hua‐Fen 
Published: July 2018

AbstractThe reaction of [V(PS3“)]− (1) (PS3”=[P(C6H3‐3‐Me3Si‐2‐S)3]3−) with H2O led to the formation of [VIV(PS3“)(PS2”SH)]− (2) (PS2“SH=[P(C6H3‐3‐Me3Si‐2‐S)2(C6H3‐3‐Me3Si‐2‐SH)]2−), indicating a hydrogen atom transfer from H2O to a bound thiolate in 1. Furthermore, the reaction of 1 with CH3OH gave the generation of complexes 2 and 3, [VIV(PS3”)(PS2“SCH3)]− (PS2”SCH3=[P(C6H3‐3‐Me3Si‐2‐S)2(C6H3‐3‐Me3Si‐2‐SCH3)]2−), implying that C−O and O−H bonds are cleaved by 1. Quantum mechanical calculations were performed to provide the mechanistic understanding for the reactivity of 1 with water. A key transition state with a lower kinetic barrier is identified. It involves an O−H bond cleavage by a dissociated thiyl radical with an interaction between an OH group and a neighboring bound sulfur donor. To our knowledge, the reactivity of 1 represents a new mode for water activation conducted through cooperation between a metal‐stabilized thiyl radical and a neighboring thiolato donor.
Investigation of growth kinetics of Debaryomyces hansenii (LAF‐3 10 U) in petroleum refinery desalter effluent
Authors: Azimian Leila , Bassi Amarjeet , Mercer Sean M. 
Published: July 2018

AbstractDesalter effluent is a difficult to treat wastewater stream emerging from petroleum refining operations. In this study, an osmotolerant and halotolerant yeast, Debaryomyces hansenii, was investigated for the first time for its use in removing phenol from simulated and actual desalter effluent. D. hansenii was able to degrade phenols at substrate COD concentrations ranging from 300–1200 mg L−1, whereas the substrate inhibition was noted as COD increased from 2000–4000 mg L−1. Three kinetic models (Andrews, Aiba, and Edward) were applied as unstructured mathematical models to simulate substrate inhibition kinetics with respect to phenol COD. Among all models, the Edward model best simulated the yeast growth on phenol. Using the Edward model, the model parameters were μmax 0.21 h−1, KS 633.95 mg · L−1, and KI 1263.61 mg · L−1, respectively. The results in this study confirmed that D. hansenii has a high tolerance toward phenols and other organic compounds and salt found in desalter effluent. This yeast is therefore suggested to serve as an appropriate system from biological treatment of phenolic wastes in difficult to treat effluents such as desalter effluent.
Nickel‐Catalyzed Direct Coupling of Allylic Alcohols with Organoboron Reagents
Authors: Wang Gaonan , Gan Yi , Liu Yuanhong 
Published: July 2018

AbstractThe direct coupling of allylic alcohols with arylboronic acids or their derivatives catalyzed by Ni(cod)2 in the presence of a catalytic amount of base has been developed. A wide variety of allylic substrates or arylboronic acids turned out to be applicable to this catalytic system. The present method does not require the use of ligands for stabilizing the nickel catalyst in most cases or additional activators for activation of allylic alcohols.
QRS voltage is a predictor of in‐hospital mortality of acutely ill medical patients
Authors: Kellett John , Opio Martin Otyek ,   Kitovu Hospital Study Group
Published: July 2018

BackgroundLow QRS voltage has been shown to be associated with increased mortality in the general population and in a small pilot study the combined QRS voltage of ECG leads I and II was found to be associated with in‐hospital mortality.HypothesisConfirm that low QRS voltage predicts the in‐hospital mortality of acutely ill patients, and compare QRS voltage with other predictors of mortality that can be easily, quickly and cheaply obtained at the bedside.MethodsProspective observational study of vital signs, QRS voltage and simple tools used to assess mental, functional and nutritional status at the bedside in unselected acutely ill patients admitted to a resource‐poor hospital in sub‐Saharan Africa.ResultsOut of 1486 patients, 77 died (5.2%) in hospital. A combined lead I + II voltage <1.8 mV was present in 789 (53.1%) of patients, and significantly associated with in‐hospital mortality (odds ratio 3.6, 95% CI 2.0‐6.5, χ2 21.2, P < 0.00001). On logistic regression impaired mobility, the National Early Warning Score, male gender and lead I + II voltage were the only independent predictors of mortality. None of the 445 patients who were mobile on admission with a lead I + II voltage ≥ 1.8 mV died in hospital.ConclusionsLow QRS voltage, male gender, NEWS, and impaired mobility were independent predictors of in‐hospital mortality in the study population. These four variables, which are easily obtained at the bedside, could potentially provide a rapid, easy, and cheap risk stratification system.
Combined Ligand‐ and Receptor‐Based Virtual Screening Methodology to Identify Structurally Diverse Protein Tyrosine Phosphatase 1B Inhibitors
Authors: Gimeno Aleix , Ardid‐Ruiz Andrea , Ojeda‐Montes María José , Tomás‐Hernández Sarah , Cereto‐Massagué Adrià , Beltrán‐Debón Raúl , Mulero Miquel , Valls Cristina , Aragonès Gerard , Suárez Manuel , Pujadas Gerard , Garcia‐Vallvé Santiago 
Published: July 2018

AbstractProtein tyrosine phosphatase 1B (PTP1B) is a potential drug target for diabetes and obesity. However, the design of PTP1B inhibitors that combine potency and bioavailability is a great challenge, and new leads are needed to circumvent this problem. Virtual screening (VS) workflows can be used to find new PTP1B inhibitors with little chemical similarity to existing inhibitors. Unfortunately, previous VS workflows for the identification of PTP1B inhibitors have several limitations, such as a small number of experimentally tested compounds and the low bioactivity of those compounds. We developed a VS workflow capable of identifying 15 structurally diverse PTP1B inhibitors from 20 compounds, the bioactivity of which was tested in vitro. Moreover, we identified two PTP1B inhibitors with the highest bioactivity reported by any VS campaign (i.e., IC50 values of 1.4 and 2.1 μm), which could be used as new lead compounds.
Use of seasonal forecasting to manage weather risk in ecological restoration
Authors: Hagger Valerie , Dwyer John , Shoo Luke , Wilson Kerrie 
Published: July 2018

AbstractEcological restoration has widely variable outcomes from successes to partial or complete failures, and there are diverse perspectives on the factors that influence the likelihood of success. However, not much is known about how these factors are perceived, and whether people's perceptions match realities. We surveyed 307 people involved in the restoration of native vegetation across Australia to identify their perceptions on the factors influencing the success of restoration projects. We found that weather (particularly drought and flooding) has realized impacts on the success of restoration projects, but is not perceived to be an important risk when planning new projects. This highlights the need for better recognition and management of weather risk in restoration and a potential role of seasonal forecasting. We used restoration case studies across Australia to assess the ability of seasonal forecasts provided by the Predictive Ocean Atmosphere Model for Australia, version M24 (POAMA‐2) to detect unfavorable weather with sufficient skill and lead time to be useful for restoration projects. We found that rainfall and temperature variables in POAMA‐2 predicted 88% of the weather issues encountered in restoration case studies apart from strong winds and cyclones. Of those restoration case studies with predictable weather issues, POAMA‐2 had the forecast skill to predict the dominant or first‐encountered issue in 67% of cases. We explored the challenges associated with uptake of forecast products through consultation with restoration practitioners and developed a prototype forecast product using a local case study. Integrating seasonal forecasting into decision making through (1) identifying risk management strategies during restoration planning, (2) accessing the forecast a month prior to revegetation activities, and (3) adapting decisions if extreme weather is forecasted, is expected to improve the establishment success of restoration.
Trophic transfer from aquatic to terrestrial ecosystems: a test of the biogeochemical niche hypothesis
Authors: Bartrons Mireia , Sardans Jordi , Hoekman David , Peñuelas Josep 
Published: July 2018

AbstractMatter and energy flow across ecosystem boundaries. Transfers from terrestrial to aquatic ecosystems are frequent and have been widely studied, but the flow of matter from aquatic to terrestrial ecosystems is less known. Large numbers of midges emerge from some lakes in northern Iceland and fly to land. These lakes differ in their levels of eutrophication due to different intensities of geothermal warming and nutrient inputs. In the context of this material transfer from an aquatic to a terrestrial ecosystem, we investigated the relationships between the deposition of midges and the elemental composition and stoichiometry of organisms in low‐productivity terrestrial ecosystems. We analyzed several terrestrial food webs in northeastern Iceland with similar food web compositions of terrestrial arthropods but different inputs of midges and analyzed the stoichiometric composition of the different trophic groups. Elemental composition differed among trophic groups and taxa much more than within each trophic group or taxa across the midge deposition gradient. Specifically, the change in N concentration was significant in plants (up to 70% increase in the site with maximum input) but not in predators, which had a more homeostatic elemental composition. These results thus show (1) a significant movement of matter and nutrients from an aquatic to a terrestrial habitat via the emergence of aquatic insects and the deposition of insect carcasses, (2) a larger impact on the elemental composition of plants than arthropods, and (3) support for the biogeochemical niche hypothesis, which predicts that different species should have a specific elemental composition, stoichiometry, and allocation as a consequence of their particular metabolism, physiology, and structure.
Fluency in symbolic arithmetic refines the approximate number system in parietal cortex
Authors: Suárez‐Pellicioni Macarena , Booth James R. 
Published: July 2018

AbstractThe objective of this study was to investigate, using a brain measure of approximate number system (ANS) acuity, whether the precision of the ANS is crucial for the development of symbolic numerical abilities (i.e., scaffolding hypothesis) and/or whether the experience with symbolic number processing refines the ANS (i.e., refinement hypothesis). To this aim, 38 children solved a dot comparison task inside the scanner when they were approximately 10‐years old (Time 1) and once again approximately 2 years later (Time 2). To study the scaffolding hypothesis, a regression analysis was carried out by entering ANS acuity at T1 as the predictor and symbolic math performance at T2 as the dependent measure. Symbolic math performance, visuospatial WM and full IQ (all at T1) were entered as covariates of no interest. In order to study the refinement hypothesis, the regression analysis included symbolic math performance at T1 as the predictor and ANS acuity at T2 as the dependent measure, while ANS acuity, visuospatial WM and full IQ (all at T1) were entered as covariates of no interest. Our results supported the refinement hypothesis, by finding that the higher the initial level of symbolic math performance, the greater the intraparietal sulcus activation was at T2 (i.e., more precise representation of quantity). To the best of our knowledge, our finding constitutes the first evidence showing that expertise in the manipulation of symbols, which is a cultural invention, has the power to refine the neural representation of quantity in the evolutionarily ancient, approximate system of quantity representation.
Testing a spatially distributed tracer‐aided runoff model in a snow‐influenced catchment: Effects of multicriteria calibration on streamwater ages
Authors: Piovano Thea I. , Tetzlaff Doerthe , Ala‐aho Pertti , Buttle Jim , Mitchell Carl P. J. , Soulsby Chris 
Published: July 2018

AbstractIntegrating stable isotope tracers into rainfall‐runoff models allows investigation of water partitioning and direct estimation of travel times and water ages. Tracer data have valuable information content that can be used to constrain models and, in integration with hydrometric observations, test the conceptualization of catchment processes in model structure and parameterization. There is great potential in using tracer‐aided modelling in snow‐influenced catchments to improve understanding of these catchments' dynamics and sensitivity to environmental change. We used the spatially distributed tracer‐aided rainfall‐runoff (STARR) model to simulate the interactions between water storage, flux, and isotope dynamics in a snow‐influenced, long‐term monitored catchment in Ontario, Canada. Multiple realizations of the model were achieved using a combination of single and multiple objectives as calibration targets. Although good simulations of hydrometric targets such as discharge and snow water equivalent could be achieved by local calibration alone, adequate capture of the stream isotope dynamics was predicated on the inclusion of isotope data in the calibration. Parameter sensitivity was highest, and most local, for single calibration targets. With multiple calibration targets, key sensitive parameters were still identifiable in snow and runoff generation routines. Water ages derived from flux tracking subroutines in the model indicated a catchment where runoff is dominated by younger waters, particularly during spring snowmelt. However, resulting water ages were most sensitive to the partitioning of runoff sources from soil and groundwater sources, which was most realistically achieved when isotopes were included in the calibration. Given the paucity of studies where hydrological models explicitly incorporate tracers in snow‐influenced regions, this study using STARR is an important contribution to satisfactorily simulating snowpack dynamics and runoff generation processes, while simultaneously capturing stable isotope variability in snow‐influenced catchments.
Role of temporal resolution of meteorological inputs for process‐based snow modelling
Authors: Sohrabi Mohammad M. , Tonina Daniele , Benjankar Rohan , Kumar Mukesh , Kormos Patrick , Marks Danny 
Published: July 2018

AbstractAccurate snow accumulation and melt simulations are crucial for understanding and predicting hydrological dynamics in mountainous settings. As snow models require temporally varying meteorological inputs, time resolution of these inputs is likely to play an important role on the model accuracy. Because meteorological data at a fine temporal resolution (~1 hr) are generally not available in many snow‐dominated settings, it is important to evaluate the role of meteorological inputs temporal resolution on the performance of process‐based snow models. The objective of this work is to assess the loss in model accuracy with temporal resolution of meteorological inputs, for a range of climatic conditions and topographic elevations. To this end, a process‐based snow model was run using 1‐, 3‐, and 6‐hourly inputs for wet, average, and dry years over Boise River Basin (6,963 km2), which spans rain dominated (≤1,400 m), rain–snow transition (>1,400 and ≤1,900 m), snow dominated below tree line (>1,900 and ≤2,400 m), and above tree line (>2,400 m) elevations. The results show that sensitivity of the model accuracy to the inputs time step generally decreases with increasing elevation from rain dominated to snow dominated above tree line. Using longer than hourly inputs causes substantial underestimation of snow cover area (SCA) and snow water equivalent (SWE) in rain‐dominated and rain–snow transition elevations, due to the precipitation phase mischaracterization. In snow‐dominated elevations, the melt rate is underestimated due to errors in estimation of net snow cover energy input. In addition, the errors in SCA and SWE estimates generally decrease toward years with low snow mass, that is, dry years. The results indicate significant increases in errors in estimates of SCA and SWE as the temporal resolution of meteorological inputs becomes coarser than an hour. However, use of 3‐hourly inputs can provide accurate estimates at snow‐dominated elevations. The study underscores the need to record meteorological variables at an hourly time step for accurate process‐based snow modelling.
Sodium Acetate, Sodium Acid Pyrophosphate, and Citric Acid Impacts on Isolated Peripheral Lymphocyte Viability, Proliferation, and DNA Damage
Authors: Abd‐Elhakim Yasmina M. , Anwar Abeer , Hashem Mohamed M. , Moustafa Gihan G. , Abo‐El‐Sooud Khaled 
Published: July 2018

AbstractThe present study examined the impacts of sodium acetate (SA), sodium acid pyrophosphate (SAPP), and citric acid (CA) on the viability, proliferation, and DNA damage of isolated lymphocytes in vitro. 3‐(4,5‐Dimethylthiazol‐2‐yl)‐2,5‐diphenyl tetrazolium bromide (MTT) and lactate dehydrogenase (LDH) release assays were adopted to evaluate cell viability, while comet assay was employed to assess the genotoxic effects. The cells were incubated with different levels of SA (50, 100, and 200 mM), SAPP (25, 50, and 100 mM/L), or CA (100, 200, and 300 μg/mL). The lymphocytes treated with the tested food additives showed concentration‐dependent decreases in both cell viability and proliferation. A concentration‐dependent increase in LDH release was also observed. The comet assay results indicated that SA, SAPP, and CA increased DNA damage percentage, tail DNA percentage, tail length, and tail moment in a concentration‐dependent manner. The current results showed that SA, SAPP, and CA are cytotoxic and genotoxic to isolated lymphocytes in vitro.