bluuebunny/crossref_metadata_2025_split huggingface dataset:
Molecular descriptor data explain market prices of a large commercial chemical compound library
Authors: Polanski Jaroslaw , Kucia Urszula , Duszkiewicz Roksana , Kurczyk Agata , Magdziarz Tomasz , Gasteiger Johann 
Published: June 2016

AbstractThe relationship between the structure and a property of a chemical compound is an essential concept in chemistry guiding, for example, drug design. Actually, however, we need economic considerations to fully understand the fate of drugs on the market. We are performing here for the first time the exploration of quantitative structure-economy relationships (QSER) for a large dataset of a commercial building block library of over 2.2 million chemicals. This investigation provided molecular statistics that shows that on average what we are paying for is the quantity of matter. On the other side, the influence of synthetic availability scores is also revealed. Finally, we are buying substances by looking at the molecular graphs or molecular formulas. Thus, those molecules that have a higher number of atoms look more attractive and are, on average, also more expensive. Our study shows how data binning could be used as an informative method when analyzing big data in chemistry.
Wide and high resolution tension measurement using FRET in embryo
Authors: Yamashita Satoshi , Tsuboi Takashi , Ishinabe Nanako , Kitaguchi Tetsuya , Michiue Tatsuo 
Published: June 2016

AbstractDuring embryonic development, physical force plays an important role in morphogenesis and differentiation. Stretch sensitive fluorescence resonance energy transfer (FRET) has the potential to provide non-invasive tension measurements inside living tissue. In this study, we introduced a FRET-based actinin tension sensor into Xenopus laevis embryos and demonstrated that this sensor captures variation of tension across differentiating ectoderm. The actinin tension sensor, containing mCherry and EGFP connected by spider silk protein, was validated in human embryonic kidney (HEK) cells and embryos. It co-localized with actin filaments and changed FRET efficiencies in response to actin filament destruction, myosin deactivation and osmotic perturbation. Time-lapse FRET analysis showed that the prospective neural ectoderm bears higher tension than the epidermal ectoderm during gastrulation and neurulation and cells morphogenetic behavior correlated with the tension difference. These data confirmed that the sensor enables us to measure tension across tissues concurrently and with high resolution.
Widespread ground motion distribution caused by rupture directivity during the 2015 Gorkha, Nepal earthquake
Authors: Koketsu Kazuki , Miyake Hiroe , Guo Yujia , Kobayashi Hiroaki , Masuda Tetsu , Davuluri Srinagesh , Bhattarai Mukunda , Adhikari Lok Bijaya , Sapkota Soma Nath 
Published: June 2016

AbstractThe ground motion and damage caused by the 2015 Gorkha, Nepal earthquake can be characterized by their widespread distributions to the east. Evidence from strong ground motions, regional acceleration duration, and teleseismic waveforms indicate that rupture directivity contributed significantly to these distributions. This phenomenon has been thought to occur only if a strike-slip or dip-slip rupture propagates to a site in the along-strike or updip direction, respectively. However, even though the earthquake was a dip-slip faulting event and its source fault strike was nearly eastward, evidence for rupture directivity is found in the eastward direction. Here, we explore the reasons for this apparent inconsistency by performing a joint source inversion of seismic and geodetic datasets, and conducting ground motion simulations. The results indicate that the earthquake occurred on the underthrusting Indian lithosphere, with a low dip angle, and that the fault rupture propagated in the along-strike direction at a velocity just slightly below the S-wave velocity. This low dip angle and fast rupture velocity produced rupture directivity in the along-strike direction, which caused widespread ground motion distribution and significant damage extending far eastwards, from central Nepal to Mount Everest.
Effects of local delivery of BMP2, zoledronate and their combination on bone microarchitecture, biomechanics and bone turnover in osteoporotic rabbits
Authors: Jing Da , Hao Xuguang , Xu Fang , Liu Jian , Xu Fei , Luo Erping , Meng Guolin 
Published: June 2016

AbstractThe hip fracture is one major clinical challenge associated with osteoporosis, resulting in heavy socioeconomic burdens and high mortality. Systemic therapies of anti-osteoporosis drugs are expensive, time-consuming and also evoke substantial side effects, which fails to provide early protection from fractures. Accumulating evidence demonstrates the high bioavailability and therapeutic efficacy of local drug delivery in accelerating facture healing and bone defect repair. This study aims at investigating the effects of local delivery of BMP2 and zoledronate (two promising anabolic/anti-catobolic reagents) encapsulated by fibrin sealants into femoral necks on regulating bone quality and remodeling in osteoporotic rabbits subjected to combined ovariectomy and glucocorticoid injection. We show that 6-week BMP2 delivery exhibited more prominent effect on mitigating trabecular bone microarchitecture deterioration and mechanical strength reduction of femoral necks than local zoledronate treatment. BMP2 plus zoledronate showed more significant improvement of bone microstructure, mechanical strength and bone formation rate at 12 weeks post injection than single BMP2 or zoledronate delivery via μCT, biomechanical, histomorphometric and serum biochemical analyses. This study enriches our knowledge for understanding the availability of local drug delivery for improving bone quantity and quality, which may lead to earlier, safer and more efficient protection from osteoporosis-induced fractures in clinics.
Highly Efficient Thermoresponsive Nanocomposite for Controlled Release Applications
Authors: Yassine Omar , Zaher Amir , Li Er Qiang , Alfadhel Ahmed , Perez Jose E. , Kavaldzhiev Mincho , Contreras Maria F. , Thoroddsen Sigurdur T. , Khashab Niveen M. , Kosel Jurgen 
Published: June 2016

AbstractHighly efficient magnetic release from nanocomposite microparticles is shown, which are made of Poly (N-isopropylacrylamide) hydrogel with embedded iron nanowires. A simple microfluidic technique was adopted to fabricate the microparticles with a high control of the nanowire concentration and in a relatively short time compared to chemical synthesis methods. The thermoresponsive microparticles were used for the remotely triggered release of Rhodamine (B). With a magnetic field of only 1 mT and 20 kHz a drug release of 6.5% and 70% was achieved in the continuous and pulsatile modes, respectively. Those release values are similar to the ones commonly obtained using superparamagnetic beads but accomplished with a magnetic field of five orders of magnitude lower power. The high efficiency is a result of the high remanent magnetization of the nanowires, which produce a large torque when exposed to a magnetic field. This causes the nanowires to vibrate, resulting in friction losses and heating. For comparison, microparticles with superparamagnetic beads were also fabricated and tested; while those worked at 73 mT and 600 kHz, no release was observed at the low field conditions. Cytotoxicity assays showed similar and high cell viability for microparticles with nanowires and beads.
Zinc Oxide Nanorods Shielded with an Ultrathin Nickel Layer: Tailoring of Physical Properties
Authors: Mudusu Devika , Nandanapalli Koteeswara Reddy , Dugasani Sreekantha Reddy , Park Sung Ha , Tu Charles W. 
Published: June 2016

AbstractWe report on the development of Ni-shielded ZnO nanorod (NR) structures and the impact of the Ni layer on the ZnO NR properties. We developed nickel-capped zinc oxide nanorod (ZnO/Ni NR) structures by e-beam evaporation of Ni and the subsequent annealing of the ZnO/Ni core/shell nanostructures. The core/shell NRs annealed at 400 °C showed superior crystalline and emission properties. More interestingly, with the increase of annealing temperature, the crystallinity of the Ni shells over the ZnO NRs gradually changed from polycrystalline to single crystalline. The presence of the Ni layer as a polycrystalline shell completely hindered the light emission and transmission of the ZnO NR cores. Further, the band gap of ZnO NRs continuously decreased with the increase of annealing temperature.
Transcriptional quiescence of paternal mtDNA in cyprinid fish embryos
Authors: Wen Ming , Peng Liangyue , Hu Xinjiang , Zhao Yuling , Liu Shaojun , Hong Yunhan 
Published: June 2016

AbstractMitochondrial homoplasmy signifies the existence of identical copies of mitochondrial DNA (mtDNA) and is essential for normal development, as heteroplasmy causes abnormal development and diseases in human. Homoplasmy in many organisms is ensured by maternal mtDNA inheritance through either absence of paternal mtDNA delivery or early elimination of paternal mtDNA. However, whether paternal mtDNA is transcribed has remained unknown. Here we report that paternal mtDNA shows late elimination and transcriptional quiescence in cyprinid fishes. Paternal mtDNA was present in zygotes but absent in larvae and adult organs of goldfish and blunt-snout bream, demonstrating paternal mtDNA delivery and elimination for maternal mtDNA inheritance. Surprisingly, paternal mtDNA remained detectable up to the heartbeat stage, suggesting its late elimination leading to embryonic heteroplasmy up to advanced embryogenesis. Most importantly, we never detected the cytb RNA of paternal mtDNA at all stages when paternal mtDNA was easily detectable, which reveals that paternal mtDNA is transcriptionally quiescent and thus excludes its effect on the development of heteroplasmic embryos. Therefore, paternal mtDNA in cyprinids shows late elimination and transcriptional quiescence. Clearly, transcriptional quiescence of paternal mtDNA represents a new mechanism for maternal mtDNA inheritance and provides implications for treating mitochondrion-associated diseases by mitochondrial transfer or replacement.
Prognostic Value of EMT-inducing Transcription Factors (EMT-TFs) in Metastatic Breast Cancer: A Systematic Review and Meta-analysis
Authors: Imani Saber , Hosseinifard Hossein , Cheng Jingliang , Wei Chunli , Fu Junjiang 
Published: June 2016

AbstractThe epithelial-to-mesenchymal transition (EMT) is a vital control point in metastatic breast cancer (MBC). TWIST1, SNAIL1, SLUG, and ZEB1, as key EMT-inducing transcription factors (EMT-TFs), are involved in MBC through different signaling cascades. This updated meta-analysis was conducted to assess the correlation between the expression of EMT-TFs and prognostic value in MBC patients. A total of 3,218 MBC patients from fourteen eligible studies were evaluated. The pooled hazard ratios (HR) for EMT-TFs suggested that high EMT-TF expression was significantly associated with poor prognosis in MBC patients (HRs = 1.72; 95% confidence intervals (CIs) = 1.53–1.93; P = 0.001). In addition, the overexpression of SLUG was the most impactful on the risk of MBC compared with TWIST1 and SNAIL1, which sponsored fixed models. Strikingly, the increased risk of MBC was less associated with ZEB1 expression. However, the EMT-TF expression levels significantly increased the risk of MBC in the Asian population (HR = 2.11, 95% CI = 1.70–2.62) without any publication bias (t = 1.70, P = 0.11). These findings suggest that the overexpression of potentially TWIST1, SNAIL1 and especially SLUG play a key role in the aggregation of MBC treatment as well as in the improvement of follow-up plans in Asian MBC patients.
Transient cerebral hypoperfusion and hypertensive events during atrial fibrillation: a plausible mechanism for cognitive impairment
Authors: Anselmino Matteo , Scarsoglio Stefania , Saglietto Andrea , Gaita Fiorenzo , Ridolfi Luca 
Published: June 2016

AbstractAtrial fibrillation (AF) is associated with an increased risk of dementia and cognitive decline, independent of strokes. Several mechanisms have been proposed to explain this association, but altered cerebral blood flow dynamics during AF has been poorly investigated: in particular, it is unknown how AF influences hemodynamic parameters of the distal cerebral circulation, at the arteriolar and capillary level. Two coupled lumped-parameter models (systemic and cerebrovascular circulations, respectively) were here used to simulate sinus rhythm (SR) and AF. For each simulation 5000 cardiac cycles were analyzed and cerebral hemodynamic parameters were calculated. With respect to SR, AF triggered a higher variability of the cerebral hemodynamic variables which increases proceeding towards the distal circulation, reaching the maximum extent at the arteriolar and capillary levels. This variability led to critical cerebral hemodynamic events of excessive pressure or reduced blood flow: 303 hypoperfusions occurred at the arteriolar level, while 387 hypertensive events occurred at the capillary level during AF. By contrast, neither hypoperfusions nor hypertensive events occurred during SR. Thus, the impact of AF per se on cerebral hemodynamics candidates as a relevant mechanism into the genesis of AF-related cognitive impairment/dementia.
Spin polarization of excitons in organic multiferroic composites
Authors: Han Shixuan , Yang Liu , Gao Kun , Xie Shijie , Qin Wei , Ren Shenqiang 
Published: June 2016

AbstractRecently, the discovery of room temperature magnetoelectricity in organic charge transfer complexes has reignited interest in the multiferroic field. The solution processed, large-area and low cost organic semiconductor materials offer new possibilities for the functional all organic multiferroic devices. Here we report the spin polarization of excitons and charge transfer states in organic charge transfer composites by using extended Su-Schrieffer-Heeger model including Coulomb interaction and spin-flip effect. With the consideration of spin polarization, we suggest a possible mechanism for the origin of excited ferromagnetism.
Au thin‐film electrodes based potentiometric CO2 sensor using Li3PO4 as both the reference material and the solid electrolyte
Authors: Wang Hairong , Chen Di , Liu Zhen , Zhang Mi 
Published: June 2016

Thin‐film Au electrodes prepared by magnetron sputtering method were used to develop a potentiometric CO2 gas sensor. The thermal evaporated Li3PO4 played the role of electrolyte and sensing material. This design can simplify the fabrication process compared with the conventional solid electrolyte potentiometric CO2 sensor (c‐sensor) and improve the performance compared with the thick‐film Au electrodes sensor (t‐sensor). The designed CO2 sensor (d‐sensor) presented good response characteristics at the CO2 concentration range of 250–2500 ppm and the electromotive force (EMF), ΔEMF/dec, response and recovery time were investigated. The EMF values of the sensor were linearly dependent on logarithm of CO2 partial pressure at the working temperatures between 420°C and 500°C. The d‐sensor showed a sensitivity of 79.1–93.7 mV/dec at working temperatures range of 420–500°C which was much higher than the sensitivities of c‐sensor and the t‐sensor. The response and recovery time of the fabricated sensors were 10 and 14 s at working temperature of 500°C, respectively. The surface morphology of Au thin films was considered to increase the three‐phase interface area and be good for the reaction gases to diffuse from Au film to lithium phosphate, allowing rapid chemical reaction equilibrium, getting a more stable EMF output.
Is there a relationship between primary school children's enjoyment of recess physical activities and health‐related quality of life? A cross‐sectional exploratory study
Authors: Hyndman Brendon , Benson Amanda C. , Lester Leanne , Telford Amanda 
Published: June 2016

Issue addressedAn important strategy for increasing children's physical activity is to enhance children's opportunities for school recess physical activities, yet little is known about the influence of school recess physical activities on children's health‐related quality of life (HRQOL). The purpose of the present study was to explore the relationship between Australian primary school children's enjoyment of recess physical activities and HRQOL.MethodsThe study consisted of children at two Australian primary schools (n = 105) aged 8–12 years. The Lunchtime Enjoyment Activity and Play questionnaire was used to measure school children's enjoyment of school recess physical activities. The Pediatric Quality of Life Inventory 4.0 was used to measure children's HRQOL. Researchers applied linear regression modelling in STATA (ver. 13.0) to investigate the relationship between children's enjoyment of school recess physical activities and HRQOL.ResultsIt was discovered that primary school children's enjoyment of more vigorous‐type school recess physical activities and playing in a range of weather conditions was associated with children's improved HRQOL.ConclusionThe findings from this study suggest that health providers and researchers should consider providing primary school children with opportunities and facilities for more vigorous‐intensity school recess physical activities as a key strategy to enhance children's HRQOL.So what?Considering a social‐ecological model framework of the key predictors of children's enjoyment of school recess physical activities may provide valuable insight for school health providers into the multiple levels of influence on children's HRQOL when developing school settings and activities for school recess.
Acid rain mitigation experiment shifts a forested watershed from a net sink to a net source of nitrogen
Authors: Rosi-Marshall Emma J. , Bernhardt Emily S. , Buso Donald C. , Driscoll Charles T. , Likens Gene E. 
Published: June 2016

Significance
Acid rain has stripped forests of soil calcium, with consequences for forest health and downstream ecosystems. In 1999, researchers initiated a whole-watershed experiment, with the goal of replacing all the calcium lost. This experiment increased the pH and acid-neutralizing capacity of soils and streamwater, and forest growth increased. In 2010, nitrogen export from the treated watershed began to increase, and by 2013, annual inorganic N losses from the experimental watershed were 30-times higher than from the adjacent reference watershed, a proportional increase only seen in whole-watershed clear-cutting experiments. The discovery that calcium enrichment can convert a watershed from a sink to a source of N suggests unforeseen consequences of acid rain mitigation and provides new insights into watershed dynamics.
Influence of Stream Condition on Habitat Diversity and Fish Assemblages in an Impaired Upper Snake River Basin Watershed
Authors: Walrath John D. , Dauwalter Daniel C. , Reinke Drew 
Published: June 2016

AbstractHabitat diversity reflects the range of available habitats used by species with different niche requirements and, therefore, influences species diversity. Land use influences stream condition, and streams in poor condition are often wide, shallow, sediment‐laden channels with low instream habitat diversity. Our goal was to evaluate the effect of instream habitat diversity on fish species diversity, the effect of stream habitat condition on habitat diversity, and the effect of habitat diversity, stream condition, and other natural stream features on fish assemblage structure (proportional abundance) in an impaired upper Snake River basin watershed containing a locally diverse but regionally depauperate species pool. We sampled fishes and instream and riparian habitat at 41 sites, focusing on measures of instream habitat diversity and the following stream condition indicators: livestock trails on streambanks, streambank stability, channel width‐to‐depth ratio, percent fine substrates, and woody riparian vegetation. Multiple regression revealed that fish species diversity was positively associated with all four components of habitat diversity, that is, diversity in substrate, cover, water depth, and water velocity (P < 0.09, adjusted R2 = 0.642). All four components of habitat diversity increased with stream size, and each component was negatively but weakly associated with at least one stream condition indicator (P < 0.10, adjusted R2 = 0.23 to 0.61). Fish assemblage structure was influenced primarily by natural stream features (gradient, temperature) and secondarily by stream condition indicators and streamflow diversity. Our results connect fish species diversity increases in larger streams with concomitant increases in four dimensions of instream habitat diversity. The findings show how stream condition reflecting land uses, such as riparian over‐grazing, can negatively impact habitat diversity within that stream‐size continuum, thus emphasizing the role land management plays in maintaining fish species diversity.Received November 6, 2015; accepted February 20, 2016 Published online June 22, 2016
Design and Testing of a Mesocosm-Scale Habitat for Culturing the Endangered Devils Hole Pupfish
Authors: Feuerbacher Olin , Bonar Scott A , Barrett Paul J 
Published: June 2016

Abstract
Captive propagation of desert spring fishes, whether for conservation or research, is often difficult, given the unique and often challenging environments these fish utilize in nature. High temperatures, low dissolved oxygen, minimal water flow, and highly variable lighting are some conditions a researcher might need to recreate to simulate their natural environments. Here we describe a mesocosm-scale habitat created to maintain hybrid Devils Hole × Ash Meadows Amargosa Pupfish (Cyprinodon diabolis × C. nevadensis mionectes) under conditions similar to those found in Devils Hole, Nevada. This 13,000-L system utilized flow control and natural processes to maintain these conditions rather than utilizing complex and expensive automation. We designed a rotating solar collector to control natural sunlight, a biological reactor to consume oxygen while buffering water quality, and a reverse-daylight photosynthesis sump system to stabilize nighttime pH and swings in dissolved oxygen levels. This system successfully controlled many desired parameters and helped inform development of a larger, more permanent desert fish conservation facility at the U.S. Fish and Wildlife Service's Ash Meadows National Wildlife Refuge, Nevada. For others who need to raise fish from unique habitats, many components of the scalable and modular design of this system can be adapted at reasonable cost.
Effects of Cold Winters on the Genetic Diversity of an Estuarine Fish, the Spotted Seatrout
Authors: O'Donnell Timothy P. , Arnott Stephen A. , Denson Michael R. , Darden Tanya L. 
Published: June 2016

Abstract
Spotted Seatrout Cynoscion nebulosus are recreationally important fish that have been harvested in South Carolina for centuries. The Spotted Seatrout in South Carolina suffered substantial declines in estuarine abundance during the cold winters of 2000, 2009, and 2010, when water temperatures dropped below their tolerance threshold. As these population declines may result in genetic bottlenecks and their repetitive occurrence over a short timescale could reduce the population's adaptive potential, we estimated the genetic diversity and effective population size (Ne) of the Charleston Harbor Spotted Seatrout population at six time points related to recent cold winters using a suite of 13 microsatellite markers. Grouping individuals by year-class (fish spawned in the same year) was the most appropriate and effective method for measuring interannual fluctuations in observed and expected heterozygosity and allelic richness, superior to partitioning fish by collection year. The genetic diversity of Spotted Seatrout was significantly influenced by catch per unit effort, although only minor changes were observed and Ne remained high. Short overlapping generations appear to allow Spotted Seatrout to genetically recover during population growth and maintain moderate levels of genetic diversity.
Received May 7, 2015; accepted February 2, 2016