bluuebunny/crossref_metadata_2025_split huggingface dataset:
Deletion of astrocytic BMAL1 results in metabolic imbalance and shorter lifespan in mice
Authors: Barca‐Mayo Olga , Boender Arjen J. , Armirotti Andrea , De Pietri Tonelli Davide 
Published: December 2019

AbstractDisruption of the circadian cycle is strongly associated with metabolic imbalance and reduced longevity in humans. Also, rodent models of circadian arrhythmia, such as the constitutive knockout of the clock gene Bmal1, leads to metabolic disturbances and early death. Although astrocyte clock regulates molecular and behavioral circadian rhythms, its involvement in the regulation of energy balance and lifespan is unknown. Here, we show that astrocyte‐specific deletion of Bmal1 is sufficient to alter energy balance, glucose homeostasis, and reduce lifespan. Mutant animals displayed impaired hypothalamic molecular clock, age‐dependent astrogliosis, apoptosis of hypothalamic astrocytes, and increased glutamate and GABA levels. Importantly, modulation of GABAA‐receptor signaling completely restored glutamate levels, delayed the reactive gliosis as well as the metabolic phenotypes and expanded the lifespan of the mutants. Our results demonstrate that the astrocytic clock can influence many aspects of brain function and neurological disease and suggest astrocytes and GABAA receptor as pharmacological targets to prevent the metabolic dysfunctions and shortened lifespan associated with alterations of circadian rhythms.
Multivariate adaptive regression splines for estimating riverine constituent concentrations
Authors: Huang Hong , Ji Xiaoliang , Xia Fang , Huang Shuhui , Shang Xu , Chen Han , Zhang Minghua , Dahlgren Randy A. , Mei Kun 
Published: December 2019

AbstractRegression‐based methods are commonly used for riverine constituent concentration/flux estimation, which is essential for guiding water quality protection practices and environmental decision making. This paper developed a multivariate adaptive regression splines model for estimating riverine constituent concentrations (MARS‐EC). The process, interpretability and flexibility of the MARS‐EC modelling approach, was demonstrated for total nitrogen in the Patuxent River, a major river input to Chesapeake Bay. Model accuracy and uncertainty of the MARS‐EC approach was further analysed using nitrate plus nitrite datasets from eight tributary rivers to Chesapeake Bay. Results showed that the MARS‐EC approach integrated the advantages of both parametric and nonparametric regression methods, and model accuracy was demonstrated to be superior to the traditionally used ESTIMATOR model. MARS‐EC is flexible and allows consideration of auxiliary variables; the variables and interactions can be selected automatically. MARS‐EC does not constrain concentration‐predictor curves to be constant but rather is able to identify shifts in these curves from mathematical expressions and visual graphics. The MARS‐EC approach provides an effective and complementary tool along with existing approaches for estimating riverine constituent concentrations.
Diel discharge variations in dormant and growing seasons in a headwater catchment suggest potential sources of an evapotranspiration signal
Authors: Gannon John P. , Kinner David , Styers Diane , Lord Mark 
Published: December 2019

AbstractDiel fluctuations in discharge not associated with precipitation have been identified in streams around the world and attributed to evapotranspiration of both hillslope and near‐stream vegetation. Several mechanisms have been hypothesized to explain the generation of these signals, but a consensus has not been reached. In order to investigate the origin of these daily discharge fluctuations, we measured discharge and groundwater levels in a 43‐ha headwater catchment near Cullowhee, NC, USA. The catchment was logged at least twice in the past 120 years, allowing the evergreen invasive Chinese privet (Ligustrum sinense) to become established in near‐stream areas. Stream discharge was measured at the outlet, and stream stage and near‐stream groundwater level were measured at a second location higher in the catchment. Daily fluctuations in discharge were quantified and found to increase in magnitude with daily mean discharge. Interestingly, daily discharge fluctuations were observed in the dormant season, and our analysis suggests that their magnitude may increase more with discharge than during the growing season. Two previously hypothesized processes may explain our observations. A decrease in signal dampening due to faster transmission of an evapotranspiration signal at elevated flows may explain the increased diel fluctuation magnitude at higher flows. Additionally, because the primary active vegetation in our catchment in the dormant season is in near‐stream areas, we suggest that this indicates most of the evapotranspiration signal in stream discharge is derived from near‐stream vegetation, not hillslopes.
Evaluating next‐generation intensity–duration–frequency curves for design flood estimates in the snow‐dominated western United States
Authors: Yan Hongxiang , Sun Ning , Wigmosta Mark , Leung L. Ruby , Hou Zhangshuan , Coleman Andre , Skaggs Richard 
Published: December 2019

AbstractCivil infrastructure such as culverts and bridges are commonly designed using precipitation‐based intensity–duration–frequency (PREC‐IDF) curves, which assume that the occurrence of precipitation is in the form of rainfall and immediately available for the rainfall‐runoff process. In snow‐dominated regions, where most winter precipitation occurs as snow that melts during spring to early summer, the use of standard PREC‐IDF curves may lead to substantial underestimation of design floods and high failure risk of infrastructure. In this context, we developed next‐generation IDF (NG‐IDF) curves that characterize the actual water reaching the land surface (i.e., rainfall plus snowmelt) to enhance standard infrastructure design in snow‐dominated regions. This study evaluates the performance of NG‐IDF curves coupled with U.S. Department of Agriculture Technical Release 55 hydrologic model in estimating design floods for 246 snowy locations in different hydroclimate regimes of the western United States. Design flood estimates from a well‐validated continuous simulation using a physics‐based hydrologic model, the Distributed Hydrology Soil Vegetation Model (DHSVM), were used as the performance benchmark. Compared with the benchmark estimates, the standard PREC‐IDF curves led to substantial errors in design flood estimates, while the NG‐IDF curves significantly reduced these errors. For example, the averaged error in the 50‐year design flood estimates over the 246 locations was reduced from 31% with the use of PREC‐IDF curves to 12% with the use of NG‐IDF curves. Despite the different model structures, the single‐event NG‐IDF approach versus the continuous simulation DHSVM did not exhibit statistically significant differences in 91% of the 246 locations for the 50‐year design flood estimates. This indicates a satisfactory performance of NG‐IDF curves to estimate design flow under the conditions tested in the snow‐dominated western United States. This article also presents technical suggestions and the limitations of infrastructure design using NG‐IDF curves for regulatory agencies and practicing engineers.
Controls on evapotranspiration from jack pine forests in the Boreal Plains Ecozone
Authors: Nazarbakhsh Mahtab , Ireson Andrew M. , Barr Alan G. 
Published: December 2019

AbstractThe exchanges of water, energy and carbon between the land surface and the atmosphere are tightly coupled, so that errors in simulating evapotranspiration lead to errors in simulating both the water and carbon balances. Areas with seasonally frozen soils present a particular challenge due to the snowmelt‐dominated hydrology and the impact of soil freezing on the soil hydraulic properties and plant root water uptake. Land surface schemes that have been applied in high latitudes often have reported problems with simulating the snowpack and runoff. Models applied at the Boreal Ecosystem Research and Monitoring Sites in central Saskatchewan have consistently over‐predicted evapotranspiration as compared with flux tower estimates. We assessed the performance of two Canadian land surface schemes (CLASS and CLASS‐CTEM) for simulating point‐scale evapotranspiration at an instrumented jack pine sandy upland site in the southern edge of the boreal forest in Saskatchewan, Canada. Consistent with past reported results, these models over‐predicted evapotranspiration, as compared with flux tower observations, but only in the spring period. Looking systematically at soil properties and vegetation characteristics, we found that the dominant control on evapotranspiration within these models was the canopy conductance. However, the problem of excessive spring ET could not be solved satisfactorily by changing the soil or vegetation parameters. The model overestimation of spring ET coincided with the overestimation of spring soil liquid water content. Improved algorithms for the infiltration of snowmelt into frozen soils and plant‐water uptake during the snowmelt and soil thaw periods may be key to addressing the biases in spring ET.
Event‐based classification for global study of river flood generating processes
Authors: Stein Lina , Pianosi Francesca , Woods Ross 
Published: December 2019

AbstractBetter understanding of which processes generate floods in a catchment can improve flood frequency analysis and potentially climate change impacts assessment. However, current flood classification methods are either not transferable across locations or do not provide event‐based information. We therefore developed a location‐independent, event‐based flood classification methodology that is applicable in different climates and returns a classification of all flood events, including extreme ones. We use precipitation time series and very simply modelled soil moisture and snowmelt as inputs for a decision tree. A total of 113,635 events in 4155 catchments worldwide were classified into one of five hydro‐climatological flood generating processes: short rain, long rain, excess rainfall, snowmelt and a combination of rain and snow. The new classification was tested for its robustness and evaluated with available information; these two tests are often lacking in current flood classification approaches. According to the evaluation, the classification is mostly successful and indicates excess rainfall as the most common dominant process. However, the dominant process is not very informative in most catchments, as there is a high at‐site variability in flood generating processes. This is particularly relevant for the estimation of extreme floods which diverge from their usual flood generation pattern, especially in the United Kingdom, Northern France, Southeastern United States, and India.
Computational Study on the Catalytic Reaction Mechanism of Heme Haloperoxidase Enzymes
Authors: Mubarak M. Qadri E. , de Visser Sam P. 
Published: December 2019

AbstractHeme haloperoxidases are unique enzymes in biology that react H2O2 and halides on a heme center to generate hypohalide, which reacts with a substrate by halide transfer. We studied model complexes of the active site of heme haloperoxidase and investigated the reaction mechanism starting from an iron(III)‐hydrogen peroxide‐heme complex. We find two stepwise proton transfers by active site Glu and His residues to form Compound I and water, whereby the second proton transfer step is rate‐determining. In a subsequent reaction with chloride the oxygen atom transfer is studied to form hypohalide. Overall, the free energy of activation of the second proton transfer and oxygen atom transfer to halide are similar in energy with free energies of activation of around 20 kcal mol−1. The calculations show that during oxygen atom transfer from Compound I to halide, significant charge‐transfer happens prior to the transition state. This implies that the reaction may be enhanced in polar environments and through second‐coordination sphere effects. The studies show that the conversion of H2O2 and halide on a heme center is fast and few intermediates along the reaction mechanism will have a lifetime that is long enough to enable trapping and characterization with experimental methods. A range of active site models and density functional theory methods were tested, but little effect is seen on the mechanism and optimized geometries.
Empirical Double‐Hybrid Density Functional Theory: A ‘Third Way’ in Between WFT and DFT
Authors: Martin Jan M. L. , Santra Golokesh 
Published: December 2019

AbstractDouble hybrid density functional theory arguably sits on the seamline between wavefunction methods and DFT: it represents a special case of Rung 5 on the “Jacob's Ladder” of John P. Perdew. For large and chemically diverse benchmarks such as GMTKN55, empirical double hybrid functionals with dispersion corrections can achieve accuracies approaching wavefunction methods at a cost not greatly dissimilar to hybrid DFT approaches, provided RI‐MP2 and/or another MP2 acceleration techniques are available in the electronic structure code. Only a half‐dozen or fewer empirical parameters are required. For vibrational frequencies, accuracies intermediate between CCSD and CCSD(T) can be achieved, and performance for other properties is encouraging as well. Organometallic reactions can likewise be treated well, provided static correlation is not too strong. Further prospects are discussed, including range‐separated and RPA‐based approaches.
Pd‐Decorated Tungsten as Pt‐Free Bimetallic Catalysts for Hydrogen Oxidation Reaction in Alkaline Electrolyte
Authors: Arulrajan Antony Cyril , Subramanian Palaniappan , Singh Ramesh Kumar , Schechter Alex 
Published: December 2019

AbstractDeveloping Pt‐free catalysts for hydrogen oxidation reaction (HOR) in alkaline solution is becoming a key challenge in the development of anion exchange membrane fuel cells and electrochemical reactors. Herein, we present the preparation, HOR activity, and stability of Pd‐decorated tungsten (Pd‐d‐W) catalysts. The Pd‐d‐W catalysts were prepared by the chemically activated surface of tungsten nanoparticles by Pd ions. The resultant bimetallic catalysts consisted of crystalline phases of both Pd and W nanoparticles. The CO stripping voltammograms and H‐desorption (Hdes) peak potential of hydrogen desorption in Pd suggests that the enhancement of HOR catalytic activity observed in Pd‐d‐W catalyst can be ascribed to the modification of electronic property of Pd and availability of OHad near‐surface Pd atoms.
Effect of a smartphone intervention on self‐managed medication abortion experiences among safe‐abortion hotline clients in Indonesia: A randomized controlled trial
Authors: Gerdts Caitlin , Jayaweera Ruvani T. , Kristianingrum Ika A. , Khan Zara , Hudaya Inna 
Published: December 2019

AbstractObjectiveTo investigate the impact of a smartphone application (app) providing information and support for medication abortion (MA) on the primary outcomes of ‘feelings of support’ and ‘preparedness’ among clients of Samsara, a safe‐abortion hotline in Indonesia.MethodsIn a parallel‐arm, non‐clinical, randomized controlled trial, women (ages ≥15) who contacted Samsara between February 2017‐ July 2018 seeking information on MA for pregnancies ≤13 weeks gestation were randomized to receive either an app with abortion information, or standard of care (high‐quality comprehensive and empathic counseling on pregnancy options). Participants completed a questionnaire 24 days after enrollment; Fisher exact tests and risk differences were used to assess differences in self‐reported feelings of preparedness and support throughout the process of self‐managed MA.ResultsNo differences in feelings of support or preparedness were detected between participants in the app arm versus the standard of care arm.ConclusionThis study represents the first‐ever randomized control trial (and prospective study) among those who contacted a safe‐abortion hotline for information about and support for self‐managed abortion. Levels of preparedness, confidence, and feelings of support were all extremely high among both control and intervention arms–indicative of the high‐quality, evidence‐based information, comprehensive, and supportive abortion counseling that safe‐abortion hotline clients receive.
Association between passive smoking and cardiovascular disease: A systematic review and meta‐analysis
Authors: Khoramdad Malihe , Vahedian‐azimi Amir , Karimi Leila , Rahimi‐Bashar Farshid , Amini Hossein , Sahebkar Amirhossein 
Published: December 2019

AbstractBackgroundThe association between passive smoking (PS) and cardiovascular disease (CVD) has not yet been fully clarified.ObjectiveThis meta‐analysis was performed to evaluate the association between PS and the incidence of CVDs and mortality due to CVD.MethodsPubMed/Medicine, Science Direct, Scopus, Web of Knowledge, and ProQuest were searched to identify observational studies that met the inclusion criteria without time, language, age, gender, ethnicity, and design restrictions until July 30, 2018. In case–control studies, relative risk (RR) with 95% confidence interval (CI) was calculated for the relationship between PS and CVD incidence. Also, in cohort studies, hazard ratio (HR) with 95% CI was calculated for the relationship between PS and CVD mortality.ResultsEighteen studies (10 cohort and 8 case–control studies) were included with 10,672 participants (2,542 cases and 8,130 controls) in case–control studies and 2,313,935 participants in cohort studies. This meta‐analysis in case–control studies revealed that the PS could increase the risk of CVD incidence by 28% (adjusted RR = 1.28 [95% CI 1.09, 1.50]), where the highest risk was associated with those who were exposed to second‐hand smoke at home and at work (Adjusted RR = 1.41 [95% CI 0.73, 2.70]). Also, the meta‐analysis in cohort studies indicated that PS was associated with a 12% higher increase in the risk of CVD mortality (Adjusted HR = 1.12 [95% CI 1.06, 1.20]) with the highest risk of mortality being observed for those who were exposed to second‐hand smoking at home, work, and public places (Adjusted HR = 1.26 [95% CI 1.13, 1.40]).ConclusionsPS is significantly associated with an increased risk of incidence and mortality of CVD.
The shale revolution and shifting crude dynamics
Authors: Sy Malick , Wu Liuren 
Published: December 2019

SummaryOil price fluctuates in response to both demand and supply shocks. This paper proposes a new methodology that allows for timely identification of the shifting contribution from the two types of shock through a joint analysis of crude futures options and stock index options. Historical analysis shows that crude oil price movements are dominated by supply shocks from 2004 to 2008, but demand shocks have become much more dominant since then. The large demand shock following the 2008 financial crisis contributes to the start of this dynamics shift, whereas the subsequent shale revolution has fundamentally altered the crude supply behavior.
Effect of type of contact, counterface surface roughness, and contact area on the wear and friction of extensively cross‐linked, vitamin E stabilized UHMWPE
Authors: Saikko Vesa 
Published: December 2019

AbstractNovel extensively cross‐linked, vitamin E stabilized polyethylene (VEXLPE) materials are expected to provide improved wear and oxidation resistance in orthopedic implants. Noncyclic, multidirectional pin‐on‐disk (POD) wear tests were performed for VEXLPE with flat‐on‐flat (FoF) and ball‐on‐flat (BoF) specimen configurations against CoCr counterfaces of varying surface roughness (Sa = 0.02–0.74 μm). In addition, wear tests (FoF) were performed for VEXLPE pins of varying nominal contact area (7.07–113 mm2) with consistent load regimen against polished CoCr disks. All specimen couples were also friction tested with a multidirectional, circularly translating POD device. In all tests, calf serum was used as the lubricant. In comparison with earlier, similar tests for conventional, gamma‐sterilized ultra‐high molecular weight polyethylene (UHMWPE) and for extensively cross‐linked, heat treated UHMWPE (XLPE), the tribological findings for the present VEXLPE appeared promising with respect to its possible clinical use in prosthetic joints, particularly as an acetabular liner against large‐diameter femoral heads, and in nonconforming contacts. Contrary to the well‐known, paradoxical behavior of conventional UHMWPE, the VEXLPE wear factor decreased with increasing contact area.
Efficacy and safety of hepatic arterial infusion chemotherapy combined with transarterial embolization for unresectable hepatocellular carcinoma: A propensity score‐matching cohort study
Authors: Guo Wenbo , Gao Jian , Zhuang Wenquan , Wu Zhiqiang , Li Bin , Chen Song 
Published: December 2019

PurposeThe aim of this study was to assess the effectiveness and safety of hepatic arterial infusion chemotherapy (HAIC) using the FOLFOX regimen combined with transarterial embolization (TAE + HAIC) in patients with unresectable hepatocellular carcinoma (HCC).MethodsUnresectable HCC patients treated with TAE + HAIC and conventional transcatheter arterial chemoembolization (TACE), respectively, between January 2015 and October 2016 in China were retrospectively assessed. The primary outcome was progression‐free survival (PFS), while secondary outcomes included the objective response rate (ORR), the disease control rate (DCR), and main complications. Propensity score matching (PSM) was estimated by multiple logistic regression using caliper matching (caliper 0.2). A Cox proportional hazards model was used to identify those factors shown to be associated with PFS.ResultsA total of 113 patients were analyzed, with 41 and 72 receiving TAE + HAIC and TACE, respectively. After PSM, 35 pairs of patients were assessed. The median PFS was 7.93 months (95% confidence interval [CI], 4.44–11.42) for the TAE + HAIC group, which was higher compared with 2.60 months (95% CI, 0.93–4.27, P = 0.003) for TACE. The subgroup with Barcelona clinic liver cancer (BCLC) stage C obtained more PFS benefit from TAE + HAIC (P = 0.002). ORRs in the TAE + HAIC and TACE groups were 37.14% (13/35) and 20.00% (7/35, P = 0.112), respectively; DCRs were 88.57% (31/35) and 60.00% (21/35, P = 0.006), respectively. Abundant blood supply (hazard ratio [HR] =0.327, 95% CI 0.173–0.615, P < 0.001) and TAE + HAIC (HR = 0.332, 95% CI 0.177–0.621, P < 0.001) were associated with longer PFS in multivariate analysis.ConclusionsCompared with conventional TACE, TAE + HAIC provides more PFS benefits to patients with unresectable HCC, especially in those with BCLC stage C.
A facile synthesis and antioxidant evaluation of conjugated 8‐azacoumarins based on DFT parameters
Authors: Rizk Sameh A. , Shaban Safa , Sallam Hanan A. 
Published: December 2019

AbstractA series of 8‐azacoumarin, naphthyridine, and dioxazphenalene derivatives bearing conjugated moieties were intended and prepared by a concise and smooth approach using grinding and ultrasonic irradiation. A sustainable one pot reactions have emerged and progressed smoothly as an efficient and eco‐safe methods in solvent less organic synthesis. The desired products were obtained in high yields, and the structures of all products were established on the basis of spectroscopic data and elemental analysis. Using the density functional theory (DFT) realized the electronic and structure characterization of synthesized azacoumarin. These heterocyclic compounds are chemically stable and are tested as antioxidants. Antioxidant potential was assessed using ABTS, and anti‐hemolytic activity was evaluated by induced peroxide hemolysis. They gave good antioxidant results that showed potency ranging from good azacoumarin analogues 8, 9, 13, 17, and 20, among compounds, showed much potency than that of commercial ascorbic acid.