bluuebunny/crossref_metadata_2025_split huggingface dataset:
Synthesis and Structural Characterization of Mono‐ and Bimetallic Rhodium(I), Iridium(I) and Gold(I) Methanide and Methandiide Complexes from 2‐Quinolyl‐Linked (Thiophosphoranyl)methane
Authors: Leung Wing‐Por , Chan Yuk‐Chi , Choi Tsz‐Hei , Lee Hung‐Kay 
Published: August 2016

AbstractInvited for the cover of this issue is the group of Wing‐Por Leung at the Chinese University of Hong Kong, Shenzhen, P. R. China. The cover image shows the isolation of mono‐, bi‐, and polymetallic complexes derived from 2‐quinolyl‐linked potassium (thiophosphoranyl)methanide by simple metathesis reactions.
Discussion on ‘an investigation into the effects of damping and nonlinear geometry models in earthquake analysis’ by Andrew Hardyniec and Finley Charney
Authors: Hall John F. 
Published: August 2016

SummaryThe discussed paper explores how various assumptions for damping and geometric nonlinearity affect the seismic collapse behavior of steel‐frame buildings. The recommended damping scheme is questioned, and an alternative is suggested. Additional explanation is sought to justify the differences observed between the P‐delta and co‐rotational models for geometric nonlinearity. Copyright © 2016 John Wiley & Sons, Ltd.
Bioenergy from agroforestry can lead to improved food security, climate change, soil quality, and rural development
Authors: Sharma Navin , Bohra Babita , Pragya Namita , Ciannella Rodrigo , Dobie Phil , Lehmann Sarah 
Published: August 2016

AbstractWell‐designed bioenergy systems can contribute to several objectives, such as mitigating climate change, increasing energy access, and alleviating rural poverty. With adequate technical assistance and land management, farm yields and income can be increased, food security strengthened, carbon sequestration improved, and pressure for land clearing reduced. There are, nonetheless, risks involved on bioenergy production and several initiatives worldwide have failed to achieve proposed positive outcomes. Overreliance on monoculture plantations, negative land‐use change impacts, and use of cereal crops as feedstocks are among the main causes. Agroforestry systems and practices can address most of these risks and thus play an important role in sustainable production of several bioenergy outputs, including efficient solid biomass, biogas, liquid biofuels, and dendro power. This article assesses the potential of such integrated approaches to provide multiple benefits, including the coproduction of food, animal feed, and organic fertilizers, while respecting economic, social, and environmental sustainability indicators. Building on experiences from sub‐Saharan Africa, developing Asia, and Latin America, promising perennial species, production models, and value chains are analyzed. Finally, key challenges and potential solutions for larger scale adoption of integrated food‐energy approaches are also identified and discussed.
The Long‐term Health Effects of Fetal Malnutrition: Evidence from the 1959–1961 China Great Leap Forward Famine
Authors: Kim Seonghoon , Fleisher Belton , Sun Jessica Ya 
Published: August 2016

AbstractWe report evidence of long‐term adverse health impacts of fetal malnutrition exposure of middle‐aged survivors of the 1959–1961 China Famine using data from the China Health and Retirement Longitudinal Study. We find that fetal exposure to malnutrition has large and long‐lasting impacts on both physical health and cognitive abilities, including the risks of suffering a stroke, physical disabilities in speech, walking and vision, and measures of mental acuity even half a century after the tragic event. Our findings imply that policies and programs that improve the nutritional status of pregnant women yield benefits on the health of a fetus that extend through the life cycle in the form of reduced physical and mental impairment.
Rapid recharge of fresh water to the halite‐hosted brine aquifer of Salar de Atacama, Chile
Authors: Boutt David F. , Hynek Scott A. , Munk Lee Ann , Corenthal Lilly G. 
Published: August 2016

AbstractWe document, analyse, and interpret direct and rapid infiltration of precipitation to the southern margin of the Salar de Atacama halite‐hosted brine aquifer during two intense precipitation events in 2012–2013. We present physical, geochemical, and stable and radioactive isotope data to detail this influx of water. The two events differ distinctly in the mechanisms of recharge. The 2012 event did not produce direct precipitation onto the salar surface, while the 2013 event did. Both events are recorded by abrupt changes in head in observation wells along the halite aquifer margin. Spatially distributed water levels rose by over 30 cm during the larger 2013 event consistent with remotely sensed observations of surface water extent. The lithium concentration and stable isotopic composition of water indicate dilution of brine and dissolution of salt with fresh water. Tritium measurements of precipitation, surface water, and groundwater all indicate modern influx of water to the halite aquifer along the southern margin. We extend these observations by examining the response of the halite aquifer as a whole to precipitation events during the period of 2000–2010. This study suggests that local recharge to the aquifer during sporadic precipitation onto the halite nucleus is an important component of the modern water budget in this hyper‐arid environment. The rapid dissolution and salinization along the southern margin of the salar halite nucleus are aided by such precipitation events contributing a modern fresh water component to the water budget of the economically valuable lithium‐rich brine. Copyright © 2016 John Wiley & Sons, Ltd.
Using ecological production functions to link ecological processes to ecosystem services
Authors: Bruins Randall JF , Canfield Timothy J , Duke Clifford , Kapustka Larry , Nahlik Amanda M , Schäfer Ralf B 
Published: August 2016

Abstract

Ecological production functions (EPFs) link ecosystems, stressors, and management actions to ecosystem services (ES) production. Although EPFs are acknowledged as being essential to improve environmental management, their use in ecological risk assessment has received relatively little attention. Ecological production functions may be defined as usable expressions (i.e., models) of the processes by which ecosystems produce ES, often including external influences on those processes. We identify key attributes of EPFs and discuss both actual and idealized examples of their use to inform decision making. Whenever possible, EPFs should estimate final, rather than intermediate, ES. Although various types of EPFs have been developed, we suggest that EPFs are more useful for decision making if they quantify ES outcomes, respond to ecosystem condition, respond to stressor levels or management scenarios, reflect ecological complexity, rely on data with broad coverage, have performed well previously, are practical to use, and are open and transparent. In an example using pesticides, we illustrate how EPFs with these attributes could enable the inclusion of ES in ecological risk assessment. The biggest challenges to ES inclusion are limited data sets that are easily adapted for use in modeling EPFs and generally poor understanding of linkages among ecological components and the processes that ultimately deliver the ES. We conclude by advocating for the incorporation into EPFs of added ecological complexity and greater ability to represent the trade-offs among ES. Integr Environ Assess Manag 2017;13:52–61. © 2016 SETAC.

Key Points
Ecological production functions (EPFs) integrate ecosystem services (ES) with ecological modeling, frame knowledge of ES production, and highlight knowledge gaps. Useful EPFs quantify final ES; respond to ecosystem condition, to stressor levels, or to management scenarios; reflect ecological complexity; rely on data with broad coverage; perform well; and are practical to use and transparent. Through the use of EPFs with these desirable characteristics, ecological risk assessments of chemicals such as pesticides can be broadened so as to encompass ecosystem-level effects and reflect stakeholder concerns.
A Novel ANO5 Mutation Causing Gnathodiaphyseal Dysplasia With High Bone Turnover Osteosclerosis
Authors: Rolvien Tim , Koehne Till , Kornak Uwe , Lehmann Wolfgang , Amling Michael , Schinke Thorsten , Oheim Ralf 
Published: August 2016

ABSTRACT

Gnathodiaphyseal dysplasia (GDD) is a rare skeletal syndrome that involves an osteopetrosis-like sclerosis of the long bones and fibrous dysplasia–like cemento-osseous lesions of the jawbone. Although the genetic analysis of the respective patients has revealed mutations in the ANO5 gene as an underlying cause, there is still no established consensus regarding the bone status of GDD patients. We report a new case of GDD in a 13-year-old boy with recurrent diaphyseal fractures of the femur, in whom we identified a novel de novo missense mutation in the ANO5 gene, causing a p.Ser500Phe substitution at the protein level. After confirming the presence of GDD-characteristic abnormalities within the jaw bones, we focused on a full osteologic assessment using dual-energy X-ray absorptiometry (DXA), high-resolution peripheral quantitative computed tomography (HR-pQCT), and serum analyses. We thereby identified increased trabecular bone mass accompanied by elevated serum markers of bone formation and bone resorption. The high turnover bone pathology was further confirmed through the analysis of an iliac crest biopsy, where osteoblast and osteoclast indices were remarkably increased. Taken together, our findings provide evidence for a critical and generalized role of anoctamin-5 (the protein encoded by the ANO5 gene) in skeletal biology. As it is reasonable to speculate that modifying the function of anoctamin-5 might be useful for therapeutically activating bone remodeling, it is now required to analyze its function at a molecular level, for instance in mouse models. © 2016 American Society for Bone and Mineral Research.
Use of Zolpidem and Risk of Acute Pyelonephritis in Women: A Population‐Based Case‐Control Study in Taiwan
Authors: Hsu Fan‐Gen , Sheu Ming‐Jyh , Lin Cheng‐Li , Hsieh Yow‐Wen , Lai Shih‐Wei 
Published: August 2016

AbstractThe aim of this study was to assess a possible correlation between zolpidem use and acute pyelonephritis (APN) in women in Taiwan. Therefore, we performed a case‐control study involving the Taiwan's National Health Insurance Research Database between 2000 and 2011. This study included 3151 female participants aged 20 to 84 years who experienced the first bout of APN (case group) and 6015 randomly selected female participants without APN (control group). Zolpidem use was defined as “current,” “early,” or “late,” if the last remaining 1 tablet for zolpidem was detected within 7 days, between 8 and 14 days, or ≥15 days before the date of APN diagnosis, respectively. The multivariable unconditional logistic regression model was used to calculate the odds ratios (ORs) with 95% confidence intervals (CIs) to assess the correlation between zolpidem use and APN. After adjusting for confounders, the multivariable analysis yielded an adjusted APN OR of 2.2 for participants with current zolpidem use (95%CI 1.7‐2.8) compared with participants who never used zolpidem. The adjusted ORs gradually decreased to 1.4 for participants with early zolpidem use (95%CI 0.8‐2.5) and 1.1 for participants with late zolpidem use (95%CI 0.9‐1.2), but without statistical significance. Only patients with current zolpidem use had a significantly increased relative risk of APN. Additional large confirmatory studies are needed to illustrate a causal relationship. Meanwhile, physicians and pharmacists should be more cautious about the risk of APN when prescribing and dispensing zolpidem in women.
Effects of perfusion on DTI and DKI estimates in the skeletal muscle
Authors: De Luca Alberto , Bertoldo Alessandra , Froeling Martijn 
Published: August 2016

PurposeIn this study, we evaluated the effects of perfusion of the skeletal muscle on diffusion tensor imaging (DTI) and diffusional kurtosis imaging (DKI) parameters and their reproducibility.MethodsDiffusion tensor imaging and DKI models, with and without intravoxel incoherent motion (IVIM) correction, were applied to simulated data at different physiological conditions and signal‐to‐noise ratio levels. Next, the same models were applied to data of the right calf of five healthy volunteers, acquired twice at 3 telsa. For six muscles, we evaluated the correlation of the perfusion signal fraction, with parameters derived from DTI and DKI, and performed repeatability analysis with and without IVIM correction. Additionally, the IVIM correction was compared to a multishell acquisition approach that minimizes perfusion effects on DTI estimates.ResultsSimulations and acquired data showed that DTI and DKI estimates were biased proportionally to the perfusion signal fraction, and that IVIM correction was needed for accurate estimation of the DTI and DKI parameters. However, taking perfusion into account did not improve repeatability.ConclusionBlood perfusion has an effect on DTI and DKI estimations, but it can be minimized with IVIM correction or multishell acquisition strategies. Magn Reson Med 78:233–246, 2017. © 2016 International Society for Magnetic Resonance in Medicine
Rapid identification of miglitol and its isomers by electrospray ionization tandem mass spectrometry
Authors: Yin Qiuhong , Wang Lin , Sun Cuirong 
Published: August 2016

RationaleMiglitol (1) derived from 1‐deoxynojirimycin is an iminosugar that is useful in the treatment of type 2 diabetes mellitus. Isomers (2, 3, 4) that differ at the C2 and C3 positions of hydroxyl groups from miglitol are impurities resulting from the synthesis of miglitol. The impurity profile of a drug substance is critical to its safety assessment and is important for monitoring the manufacturing process. Therefore, developing a fast and simple method that can rapidly identify the configuration of miglitol and its isomers (2, 3, 4) is necessary.MethodsMiglitol (1) and its isomers 2–4 were derivatized with benzoboroxole (o‐hydroxymethyl phenylboronic acid) at room temperature, and the cyclic boronate esters of different configurations were generated. Protonated miglitol and its isomers 2–4, as well as their derivatives, were subjected to collision‐induced dissociation (CID) experiments by using electrospray ionization tandem mass spectrometry (ESI‐MS/MS). Elemental compositions of all the ions were verified by electrospray ion‐trap time‐of‐flight mass spectrometry.ResultsFragmentation of the protonated miglitol and its isomers gave the same fragment ions at m/z 190 and m/z 146. Both their fragmentation behavior and abundances were similar. Whereas the CID mass spectra of the precursor ions (m/z 322) of cyclic boronate esters showed four characteristic fragment ions, m/z 214 ([M‐C7H8O]−), m/z 196 ([M‐C7H8O‐H2O]−), m/z 151 ([M‐C8H13NO3]−), and m/z 133 ([M‐C8H15NO4]−). The abundances of these fragments are different which are related to the stereostructure of miglitol and its isomers.ConclusionsA facile method was established for the differentiation of the spatial configuration of miglitol and its isomers using the relative abundances of the fragment ions of boronate esters generated from in‐situ reaction between analytes and benzoboroxole by ESI‐MS/MS. This approach could be used to rapidly identify the stereoisomers and monitor the epimerization of miglitol and its isomers in chemical reactions and manufacturing processes. Copyright © 2016 John Wiley & Sons, Ltd.
Characterization of interaction property of multi‐components in Gardenia jasminoides with aldose reductase by microdialysis combined with liquid chromatography coupled to mass spectrometry
Authors: Wang Lu , Liu Shu , Xing Junpeng , Liu Zhiqiang , Song Fengrui 
Published: August 2016

RationaleAn application of microdialysis sampling for evaluation of the interaction property of small molecules to macromolecules is presented. Microdialysis combined with liquid chromatography coupled to quadrupole time‐of‐flight tandem mass spectrometry (LC/QTOF‐MS/MS) was established for the purpose of screening of the multiple bioactive compounds in traditional Chinese medicines (TCMs).MethodsMicrodialysis experiments were performed in vitro using a syringe pump and probes. Separation was achieved via liquid chromatography, and MS analysis was conducted by electrospray ionization quadrupole time‐of‐flight mass spectrometry in negative mode. The interaction property of compounds in TCMs with aldose reductase can be deduced from the comparison of the peak areas in chromatograms using a stable internal standard.ResultsIn this work, 23 compounds including iridoids, flavonoids, monoterpenoids, carotenoids and phenolic acids were identified by comparison with reference compounds, characteristic high‐resolution mass spectrometry and the MS/MS fragmentations simultaneously. Binding degrees of 23 compounds in Gardenia jasminoides Eliis (G. jasminoide) with aldose reductase ranged from 13.91% to 66.25%. Also, microdialysis recoveries of 23 compounds in G. jasminoides were determined.ConclusionsThe Interaction properties of 23 compounds in G. jasminoides with aldose reductase were investigated and they are potential bioactive ingredients. Microdialysis coupled to LC/QTOF‐MS/MS can be used for screening of bioactive multicomponents from TCMs with appropriate targets. Copyright © 2016 John Wiley & Sons, Ltd.
Study on diffusion behavior of analyte in an electrospray ionization source
Authors: Gao Fang Yuan , Zhang Ling Yi , Li Xiu Qin , Zhang Wei Bing , Zhang Qing He 
Published: August 2016

RationaleDiffusion of an analyte is one of the main determinants of reduced sensitivity in an electrospray ionization (ESI) source. In this work, the relative responses of compounds and their stable isotope‐labeled (SIL) products in different injection modes were compared to investigate the diffusion behavior of analytes in ESI, without influence of other factors.MethodsChloramphenicol (CAP) and D5‐CAP as well as melamine (Mel) and 13C3‐Mel were used to illustrate the diffusion behavior in different operation modes and different ion sources, by comparing their relative responses in infusion mode and flow injection analysis (FIA) mode under variable temperature.ResultsIn infusion mode, sample solution was introduced by syringe, and formed a stable and continuous signal. While in FIA mode, because of the huge difference in volume between the sample solution and the mobile phase, it is assumed that analyte ionizes and transmits in the gaseous phase created by the mobile phase. Analytes formed different concentration distributions in the two injection modes. The relative responses of CAP and D5‐CAP increased from 0.81 to 0.98 when the temperature was increased from 300 °C to 650 °C in infusion mode and decreased from 1.37 to 1.17 with increasing temperature in FIA mode. The opposite trends of the two injection modes were also obtained in positive operation modes and ion sources with different configuration.ConclusionsOpposite variation tendencies of relative responses of model samples and their stable isotope‐labeled products with temperature were observed for infusion and FIA injection modes, indicating different diffusion behaviors in the two injection modes. These results provide a theoretical basis for ion source designing and better understanding of the ESI mechanism. Copyright © 2016 John Wiley & Sons, Ltd.
Non‐tapered PTFE capillary as robust and stable nanoelectrospray emitter for electrospray ionization mass spectrometry
Authors: Jin Di‐Qiong , Zhu Ying , Fang Qun 
Published: August 2016

RationaleThe successful implementation of electrospray ionization mass spectrometry (ESI‐MS) largely relies on the physical and chemical properties of electrospray emitters. Current ESI emitters based on pulled glass or fused‐silica capillaries suffer from complicated fabrication procedures and short lifetime because of clogging and breakage problems. ESI emitters with high robustness, easy operation, and low cost are in great demand.MethodsWe proposed to directly use non‐pulled and non‐tapered polytetrafluoroethylene (PTFE) capillaries as nanoelectrospray emitters. We evaluated and studied the performance of PTFE emitters under different flow rates and ESI voltages. Their applications in direct infusion and liquid chromatography (LC)–MS analysis were achieved.ResultsHigh stable electrospray (relative standard deviation of total ion current intensity <5%) can be obtained at flow rates from 100 nL/min to 1500 nL/min and at ESI voltages from 1.8 kV to 2.9 kV using non‐tapered PTFE emitters. Different types of samples including small‐molecule drugs, peptides, and proteins can be detected with high sensitivity. LC–MS analysis of two model peptides was successfully demonstrated.ConclusionsWe have demonstrated that a non‐tapered PTFE capillary can be a promising ESI emitter for both direct infusion and LC–MS analysis. We envision it could find broad applications in high‐throughput MS analysis fields, such as drug screening and proteomics, where robust and reproducible operations are essentially required. Copyright © 2016 John Wiley & Sons, Ltd.
Development of a suitcase time‐of‐flight mass spectrometer for in situ fault diagnosis of SF6‐insulated switchgear by detection of decomposition products
Authors: Hou Keyong , Li Jinxu , Qu Tuanshuai , Tang Bin , Zhu Liping , Huang Yunguang , Li Haiyang 
Published: August 2016

RationaleSulfur hexafluoride (SF6) gas‐insulated switchgear (GIS) is an essential piece of electrical equipment in a substation, and the concentration of the SF6 decomposition products are directly relevant to the security and reliability of the substation. The detection of SF6 decomposition products can be used to diagnosis the condition of the GIS.MethodsThe decomposition products of SO2, SO2F2, and SOF2 were selected as indicators for the diagnosis. A suitcase time‐of‐flight mass spectrometer (TOFMS) was designed to perform online GIS failure analysis. An RF VUV lamp was used as the photoelectron ion source; the sampling inlet, ion einzel lens, and vacuum system were well designed to improve the performance.ResultsThe limit of detection (LOD) of SO2 and SO2F2 within 200 s was 1 ppm, and the sensitivity was estimated to be at least 10‐fold more sensitive than the previous design. The high linearity of SO2, SO2F2 in the range of 5–100 ppm has excellent linear correlation coefficient R2 at 0.9951 and 0.9889, respectively.ConclusionsThe suitcase TOFMS using orthogonal acceleration and reflecting mass analyzer was developed. It has the size of 663 × 496 × 338 mm and a weight of 34 kg including the battery and consumes only 70 W. The suitcase TOFMS was applied to analyze real decomposition products of SF6 inside a GIS and succeeded in finding out the hidden dangers. The suitcase TOFMS has wide application prospects for establishing an early‐warning for the failure of the GIS. Copyright © 2016 John Wiley & Sons, Ltd.