bluuebunny/crossref_metadata_2025_split huggingface dataset:
Quantitative analysis of total hydrocarbons and water in oil‐contaminated soils with attenuated total reflection infrared spectroscopy
Authors: Guryanova Alena , Ermakov Vasiliy , Galyanin Vladislav , Artyushenko Viacheslav , Sakharova Tatiana , Usenov Iskander , Bykov Dmitriy , Bogomolov Andrey 
Published: September 2016

The feasibility of direct (ie, without sample preparation) quantitative analysis of total hydrocarbons and water in oil‐contaminated soils using mid‐infrared spectroscopy and an attenuated total reflection (ATR) probe has been investigated. Spectral characteristics of unpolluted and oil‐contaminated soils composed of sand, clay, dolomite, and humus have been studied over the full mid‐infrared range (4000‐400 cm−1). Spectra of 25 typical soil samples containing varying levels of oil and water have been analyzed using a chalcogenide infrared fiber–based probe with a ZrO2 crystal as an ATR element. The spectral data were used to build calibration models for the analysis of hydrocarbon contamination as well as moisture content of soil samples. The low quality of ATR spectra of drier samples and variable spectral intensity inherent in the ATR measurement of solids has been overcome by suitable data processing. Further improvement of the model performance has been achieved using a variable selection based on the modified genetic algorithm. Our proposed method allows the determination of oil and moisture content in soils with accuracies of 1.1% and 0.6%, respectively, which is sufficient for a number of practical applications. The reported results may be used to develop portable devices for measuring petroleum and water content of soils.
Remarkable Anion‐Dependent Spin‐State Switching in Diiron(III) μ‐Hydroxo Bisporphyrins: What Role Do Counterions Play?
Authors: Khan Firoz Shah Tuglak , Pandey Anjani Kumar , Rath Sankar Prasad 
Published: September 2016

AbstractAddition of 2,4,6‐trinitrophenol (HTNP) to an ethene‐bridged diiron(III) μ‐oxo bisporphyrin (1) in CH2Cl2 initially leads to the formation of diiron(III) μ‐hydroxo bisporphyrin (2⋅TNP) with a phenolate counterion that, after further addition of HTNP or dissolution in a nonpolar solvent, converts to a diiron(III) complex with axial phenoxide coordination (3⋅(TNP)2). The progress of the reaction from μ‐oxo to μ‐hydroxo to axially ligated complex has been monitored in solution by using 1H NMR spectroscopy because their signals appear in three different and distinct spectral regions. The X‐ray structure of 2⋅TNP revealed that the nearly planar TNP counterion fits perfectly within the bisporphyrin cavity to form a strong hydrogen bond with the μ‐hydroxo group, which thus stabilizes the two equivalent iron centers. In contrast, such counterions as I5, I3, BF4, SbF6, and PF6 are found to be tightly associated with one of the porphyrin rings and, therefore, stabilize two different spin states of iron in one molecule. A spectroscopic investigation of 2⋅TNP has revealed the presence of two equivalent iron centers with a high‐spin state (S=5/2) in the solid state that converts to intermediate spin (S=3/2) in solution. An extensive computational study by using a range of DFT methods was performed on 2⋅TNP and 2+, and clearly supports the experimentally observed spin flip triggered by hydrogen‐bonding interactions. The counterion is shown to perturb the spin‐state ordering through, for example, hydrogen‐bonding interactions, switched positions between counterion and axial ligand, ion‐pair interactions, and charge polarization. The present investigation thus provides a clear rationalization of the unusual counterion‐specific spin states observed in the μ‐hydroxo bisporphyrins that have so far remained the most outstanding issue.
Uncatalyzed Hydrogenation of First‐Row Main Group Multiple Bonds
Authors: Arrowsmith Merle , Böhnke Julian , Braunschweig Holger , Celik Mehmet Ali , Dellermann Theresa , Hammond Kai 
Published: September 2016

AbstractRoom temperature hydrogenation of an SIDep‐stabilized diboryne (SIDep=1,3‐bis(diethylphenyl)‐4,5‐dihydroimidazol‐2‐ylidene) and a cAAC‐supported diboracumulene (cAAC=1‐(2,6‐diisopropylphenyl)‐3,3,5,5‐tetramethylpyrrolidin‐2‐ylidene) provided the first selective route to the corresponding 1,2‐dihydrodiborenes. DFT calculations showed an overall exothermic (ΔG=19.4 kcal mol−1) two‐step asynchronous H2 addition mechanism proceeding via a bridging hydride.
Polycationic‐Shelled Capsular and Tubular Nanostructures and Their Anionic–Guest Binding Properties
Authors: Yazaki Kohei , Sei Yoshihisa , Akita Munetaka , Yoshizawa Michito 
Published: September 2016

AbstractFor the development of novel nanospace with unique electrostatic character, we prepared new capsular and tubular nanostructures by the quantitative assembly of metal ions and bent bisacridinium ligands. The capsule and tube have closed spherical and open cylindrical cavities, respectively, with diameters of around 1 nm surrounded by cationic polyaromatic panels. Thanks to the facile synthetic protocol (three steps), another polycationic capsule with an elliptical nanocavity was also prepared by using an elongated ligand. In spite of the absence of pendant hydrophilic groups, the spherical polyaromatic capsule shows sufficient water solubility due to the polycationic shell. Moreover, the highly cationic cavity (12+) can selectively encapsulate anionic organic compounds in water.
How do relatives cope with eating disorders? Results from an Italian multicentre study
Authors: Fiorillo Andrea , Sampogna Gaia , Luciano Mario , Del Vecchio Valeria , Volpe Umberto , Monteleone Alessio Maria , Bruni Antonella , Segura‐Garcìa Cristina , Catapano Francesco , Monteleone Palmiero , Maj Mario 
Published: September 2016

ABSTRACTObjectiveThis paper aims to: (1) describe coping strategies in relatives of patients with eating disorders (EDs); (2) analyze coping strategies according to the different EDs; (3) identify correlations between patients' clinical characteristics, relatives' socio‐demographic characteristics and coping strategies.MethodsPatients and their relatives consecutively attending three outpatient units for EDs at the Universities of Naples SUN, Salerno and Catanzaro were recruited. Coping strategies were assessed through the Family Coping Questionnaire for Eating Disorders (FCQ‐ED). It consists of 32 items, grouped into two factors: problem‐oriented (“seek for information”, “positive communication”) and emotion‐focused (“avoidance,” “collusion,” “coercion”) strategies, plus one item on seeking for spiritual help.ResultsSeventy‐two patients and 127 relatives were recruited. The most frequently reported coping strategies by relatives were seeking for information, positive communication, seeking for spiritual help; the first two coping strategies were positively correlated with the level of education of both patients and relatives. Mothers reported avoidance less frequently than other relatives. Relatives of patients with BN reported collusion and coercion more frequently compared to relatives of patients with AN.DiscussionThis report represents an initial attempt to understand the complex relationship among clinical, social and personal variables involved in the development of coping strategies. © 2016 Wiley Periodicals, Inc.(Int J Eat Disord 2017; 50:587–592)
SNPs across time and space: population genomic signatures of founder events and epizootics in the House Finch (Haemorhous mexicanus)
Authors: Shultz Allison J. , Baker Allan J. , Hill Geoffrey E. , Nolan Paul M. , Edwards Scott V. 
Published: September 2016

AbstractIdentifying genomic signatures of natural selection can be challenging against a background of demographic changes such as bottlenecks and population expansions. Here, we disentangle the effects of demography from selection in the House Finch (Haemorhous mexicanus) using samples collected before and after a pathogen‐induced selection event. Using ddRADseq, we genotyped over 18,000 SNPs across the genome in native pre‐epizootic western US birds, introduced birds from Hawaii and the eastern United States, post‐epizootic eastern birds, and western birds sampled across a similar time span. We found 14% and 7% reductions in nucleotide diversity, respectively, in Hawaiian and pre‐epizootic eastern birds relative to pre‐epizootic western birds, as well as elevated levels of linkage disequilibrium and other signatures of founder events. Despite finding numerous significant frequency shifts (outlier loci) between pre‐epizootic native and introduced populations, we found no signal of reduced genetic diversity, elevated linkage disequilibrium, or outlier loci as a result of the epizootic. Simulations demonstrate that the proportion of outliers associated with founder events could be explained by genetic drift. This rare view of genetic evolution across time in an invasive species provides direct evidence that demographic shifts like founder events have genetic consequences more widespread across the genome than natural selection.
The dual synchronizing influences of precipitation and land use on stream properties in a rapidly urbanizing watershed
Authors: Vogt Richard J. , Frost Paul C. , Nienhuis Sarah , Woolnough Daelyn A. , Xenopoulos Marguerite A. 
Published: September 2016

AbstractConversion of natural ecosystems to urbanized land cover dominated by impervious surfaces can alter hydrologic delivery of terrestrially derived materials to aquatic ecosystems. By changing hydrologic regimes, urbanization has important ramifications for water quality, particularly when considering how land use change might interact with other potential environmental stressors. Here, we analyzed a suite of physical, chemical, and biological time series (2007–2008) in 11 streams in a rapidly urbanizing watershed to determine how spatiotemporal synchrony is structured in urban vs. rural stream ecosystems. We further assessed how a doubling of seasonal precipitation influenced the landscape‐level stream synchrony patterns between years via changes to the local hydrologic regime. Consistent with existing theory and observations, physical variables (i.e., water temperature, flow rate) regulated by external climate features operating at broad spatial scales were more synchronous than the variables associated with fluxes of dissolved solutes (i.e., conductivity, salinity, dissolved nutrients), which are typically controlled by local and internal ecosystem processes. Both urbanization and increased precipitation modified synchrony patterns by increasing the temporal coherence of water flow and the concentration of certain dissolved solutes (i.e., conductivity, salinity). Urban streams exposed to more precipitation exhibited the greatest similarity in physicochemical conditions, suggesting an interaction among the dual stressors of precipitation and urbanization to instill ecosystem synchrony. These results suggest that taking a spatially explicit perspective in understanding urbanization and its interactions with a changing climate is critical for the future management of aquatic resources in highly developed landscapes.
Nitrogen loading leads to increased carbon accretion in both invaded and uninvaded coastal wetlands
Authors: Martina Jason P. , Currie William S. , Goldberg Deborah E. , Elgersma Kenneth J. 
Published: September 2016

AbstractGaining a better understanding of carbon (C) dynamics across the terrestrial and aquatic landscapes has become a major research initiative in ecosystem ecology. Wetlands store a large portion of the global soil C, but are also highly dynamic ecosystems in terms of hydrology and N cycling, and are one of the most invaded habitats worldwide. The interactions between these factors are likely to determine wetland C cycling, and specifically C accretion rates. We investigated these interactions using Mondrian, an individual‐based model simulating plant growth and competition and linking these processes to N and C cycling. We simulated the effects of different levels of (1) N loading, (2) hydroperiod, and (3) plant community (natives only vs. invasion scenarios) and their interactions on C accretion outcomes in freshwater coastal wetlands of the Great Lakes region of North America. Results showed that N loading contributed to substantial rates of C accretion by increasing NPP (net primary productivity). By mediating anaerobic conditions and slowing decomposition, hydroperiod also exerted considerable control on C accretion. Invasion success occurred with higher N loading and contributed to higher NPP, while also interacting with hydroperiod via ecosystem‐internal N cycling. Invasion success by both Typha × glauca and Phragmites australis showed a strong nonlinear relationship with N loading in which an invasion threshold occurred at moderate N inputs. This threshold was in turn influenced by duration of flooding, which reduced invasion success for P. australis but not for T. × glauca. The greatest simulated C accretion rates occurred in wetlands invaded by P. australis at the highest N loading in constant anaerobic conditions. These model results suggest that while plant invasion may increase C storage in freshwater coastal wetlands, increased plant productivity (both native and invasive) due to increased N loading is the main driver of increased C accretion.
Linking science and decision making to promote an ecology for the city: practices and opportunities
Authors: Grove J. Morgan , Childers Daniel L. , Galvin Michael , Hines Sarah , Muñoz‐erickson Tischa , Svendsen Erika S. 
Published: September 2016

Abstract

To promote urban sustainability and resilience, there is an increasing demand for actionable science that links science and decision making based on social–ecological knowledge. Approaches, frameworks, and practices for such actionable science are needed and have only begun to emerge. We propose that approaches based on the co‐design and co‐production of knowledge can play an essential role to meet this demand. Although the antecedents for approaches to the co‐design and co‐production of knowledge are decades old, the integration of science and practice to advance urban sustainability and resilience that we present is different in several ways. These differences include the disciplines needed, diversity and number of actors involved, and the technological infrastructures that facilitate local‐to‐global connections. In this article, we discuss how the new requirements and possibilities for co‐design, co‐production, and practical use of social–ecological research can be used as
an ecology for the city
to promote urban sustainability and resilience. While new technologies are part of the solution, traditional approaches also remain important. Using our urban experiences with long‐term, place‐based research from several U.S. Long‐Term Ecological Research sites and U.S. Department of Agriculture, Forest Service Urban Field Stations, we describe a dynamic framework for linking research with decisions. We posit that this framework, coupled with a user‐defined, theory‐based approach to science, is instrumental to advance both practice and science. Ultimately, cities are ideal places for integrating basic science and decision making, facilitating flows of information through networks, and developing sustainable and resilient solutions and futures.
Future wet grasslands: ecological implications of climate change
Authors: Joyce Chris B. , Simpson Matthew , Casanova Michelle 
Published: September 2016

Abstract

Wet grasslands are threatened by future climate change, yet these are vital ecosystems for both conservation and agriculture, providing livelihoods for millions of people. These biologically diverse, transitional wetlands are defined by an abundance of grasses and periodic flooding, and maintained by regular disturbances such as grazing or cutting. This study summarizes relevant climate change scenarios projected by the Intergovernmental Panel on Climate Change and identifies implications for wet grasslands globally and regionally. Climate change is predicted to alter wet grassland hydrology, especially through warming, seasonal precipitation variability, and the severity of extreme events such as droughts and floods. Changes in the diversity, composition, and productivity of vegetation will affect functional and competitive relations between species. Extreme storm or flood events will favor ruderal plant species able to respond rapidly to environmental change. In some regions, wet grasslands may dry out during heatwaves and drought. C
4
grasses and invasive species could benefit from warming scenarios, the latter facilitated by disturbances such as droughts, floods, and possibly wildfires. Agriculture will be affected as forage available for livestock will likely become less reliable, necessitating adaptations to cutting and grazing regimes by farmers and conservation managers, and possibly leading to land abandonment. It is recommended that agri‐environment schemes, and other policies and practices, are adapted to mitigate climate change, with greater emphasis on water maintenance, flexible management, monitoring, and restoration of resilient wet grasslands.
Effect of liming on nickel bioavailability and toxicity to oat and soybean grown in field soils containing aged emissions from a nickel refinery
Authors: Cioccio Stephen , Gopalapillai Yamini , Dan Tereza , Hale Beverley 
Published: September 2016

Abstract

Remediation of soils elevated in trace metals so that the soils may provide ecosystems services is typically achieved through pH adjustment or addition of sorbents. The present study aimed to generate higher-tier in situ toxicity data for elevated nickel (Ni) in soils with and without lime addition and to explore the effect of liming on soil chemistry and bioavailability of Ni to plants. A multiyear study of agronomic yield of field-grown oat and soybean occurred in 3 adjacent fields that had received air emissions from a Ni refinery for 66 yr. The soil Ni concentration in the plots ranged between 1300 mg/kg and 4900 mg/kg, and each field was amended with either 50 Mg/ha, 10 Mg/ha, or 0 Mg/ha (or tonnes/ha) of crushed dolomitic limestone. As expected, liming raised the pH of the soils and subsequently reduced the plant availability of Ni. Toxicity thresholds (effective concentrations causing 50% reduction in growth) for limed soils supported the hypothesis that liming reduces toxicity. Relationships were found between relative yield and soil cation exchange capacity and between relative yield and soil pH, corroborating findings of the European Union Risk Assessments and the Metals in Asia studies, respectively. Higher tier ecotoxicity data such as these are a valuable contribution to risk assessment for Ni in soils. Environ Toxicol Chem 2017;36:1110–1119. © 2016 SETAC
Evolving Health Expenditure Landscape of the BRICS Nations and Projections to 2025
Authors: Jakovljevic Mihajlo , Potapchik Elena , Popovich Larisa , Barik Debasis , Getzen Thomas E. 
Published: September 2016

AbstractGlobal health spending share of low/middle income countries continues its long‐term growth. BRICS nations remain to be major drivers of such change since 1990s.Governmental, private and out‐of‐pocket health expenditures were analyzed based on WHO sources. Medium‐term projections of national health spending to 2025 were provided based on macroeconomic budgetary excess growth model.In terms of per capita spending Russia was highest in 2013. India's health expenditure did not match overall economic growth and fell to slightly less than 4% of GDP. Up to 2025 China will achieve highest excess growth rate of 2% and increase its GDP% spent on health care from 5.4% in 2012 to 6.6% in 2025. Russia's spending will remain highest among BRICS in absolute per capita terms reaching net gain from $1523 PPP in 2012 to $2214 PPP in 2025.In spite of BRICS' diversity, all countries were able to significantly increase their investments in health care. The major setback was bold rise in out‐of‐pocket spending. Most of BRICS' growing share of global medical spending was heavily attributable to the overachievement of People's Republic of China. Such trend is highly likely to continue beyond 2025. Copyright © 2016 John Wiley & Sons, Ltd.
Continuous field estimation of dissolved organic carbon concentration and biochemical oxygen demand using dual‐wavelength fluorescence, turbidity and temperature
Authors: Khamis Kieran , Bradley Chris , Stevens Rob , Hannah David M. 
Published: September 2016

AbstractDissolved organic matter (DOM) quality and quantity is not measured routinely in‐situ limiting our ability to quantify DOM process dynamics. This is problematic given legislative obligations to determine event based variability; however, recent advances in field deployable optical sensing technology provide the opportunity to address this problem. In this paper, we outline a new approach for in‐situ quantification of DOM quantity (Dissolved Organic Carbon: DOC) and a component of quality (Biochemical Oxygen Demand: BOD) using a multi‐wavelength, through‐flow fluorescence sensor. The sensor measured tryptophan‐like (Peak T) and humic‐like (Peak C) fluorescence, alongside water temperature and turbidity. Laboratory derived coefficients were developed to compensate for thermal quenching and turbidity interference (i.e., light attenuation and scattering). Field tests were undertaken on an urban river with ageing wastewater and stormwater infrastructure (Bourn Brook; Birmingham, UK). Sensor output was validated against laboratory determinations of DOC and BOD collected by discrete grab sampling during baseflow and stormflow conditions. Data driven regression models were then compared to laboratory correction methods. A combination of temperature and turbidity compensated Peak T and Peak C was found to be a good predictor of DOC concentration (R2 = 0.92). Conversely, using temperature and turbidity correction coefficients provided low predictive power for BOD (R2 = 0.46 and R2 = 0.51, for Peak C and T, respectively). For this study system, turbidity appeared to be a reasonable proxy for BOD, R2 = 0.86. However, a linear mixed effect model with temperature compensated Peak T and turbidity provided a robust BOD prediction (R2 = 0.95). These findings indicate that with careful initial calibration, multi‐wavelength fluorescence, coupled with turbidity, and temperature provides a feasible proxy for continuous, in‐situ measurement of DOC concentration and BOD. This approach represents a cost effective monitoring solution, particularly when compared to UV – absorbance sensors and DOC analysers, and could be readily adopted for research and industrial applications.
Enantioseparations in Achiral Environments and Chromatographic Systems
Authors: Martens Jürgen , Bhushan Ravi 
Published: September 2016

AbstractSince the very first resolution of racemic tartaric acid by Pasteur, the importance of resolution and methodology has been on a path of continuous understanding and expansion. The science and chemistry of achieving such targets has changed a lot. The advent of chromatography changed the direction by involving synthetic, semisynthetic, or naturally occurring chiral materials for a direct approach to resolution, where rapid and reversible association occurs to form diastereomers with different stabilities and partition coefficients responsible for overall enantioseparation. It has now reached a stage where the separation of excess enantiomers from nonracemic mixtures has been achieved in a totally achiral environment, which does not appear to be in line with the prevalent concepts of basic stereochemistry. Caution should be exercised when enantiomerically enriched mixtures – obtained by enantioselective synthesis – are chromatographed for purification in preparative organic synthesis.