bluuebunny/crossref_metadata_2025_split huggingface dataset:
Description and evaluation of the Earth System Regional Climate Model (Reg CM‐ES)
Authors: Sitz L. E. , Di Sante F. , Farneti R. , Fuentes‐Franco R. , Coppola E. , Mariotti L. , Reale M. , Sannino G. , Barreiro M. , Nogherotto R. , Giuliani G. , Graffino G. , Solidoro C. , Cossarini G. , Giorgi F. 
Published: July 2017

AbstractWe describe a new, state‐of‐the‐art, Earth System Regional Climate Model (RegCM‐ES), which includes the coupling between the atmosphere, ocean, and land surface, as well as a hydrological and ocean biogeochemistry model, with the capability of using a variety of physical parameterizations. The regional coupled model has been implemented and tested over some of the COordinated Regional climate Downscaling Experiment (CORDEX) domains and more regional settings featuring climatically important coupled phenomena. Regional coupled ocean‐atmosphere models can be especially useful tools to provide information on the mechanisms of air‐sea interactions and feedbacks occurring at fine spatial and temporal scales. RegCM‐ES shows a good representation of precipitation and SST fields over the domains tested, as well as realistic simulations of coupled air‐sea processes and interactions. The RegCM‐ES model, which can be easily implemented over any regional domain of interest, is open source, making it suitable for usage by the broad scientific community.
Impact of bias‐corrected reanalysis‐derived lateral boundary conditions on WRF simulations
Authors: Moalafhi Ditiro Benson , Sharma Ashish , Evans Jason Peter , Mehrotra Rajeshwar , Rocheta Eytan 
Published: July 2017

AbstractLateral and lower boundary conditions derived from a suitable global reanalysis data set form the basis for deriving a dynamically consistent finer resolution downscaled product for climate and hydrological assessment studies. A problem with this, however, is that systematic biases have been noted to be present in the global reanalysis data sets that form these boundaries, biases which can be carried into the downscaled simulations thereby reducing their accuracy or efficacy. In this work, three Weather Research and Forecasting (WRF) model downscaling experiments are undertaken to investigate the impact of bias correcting European Centre for Medium range Weather Forecasting Reanalysis ERA‐Interim (ERA‐I) atmospheric temperature and relative humidity using Atmospheric Infrared Sounder (AIRS) satellite data. The downscaling is performed over a domain centered over southern Africa between the years 2003 and 2012. The sample mean and the mean as well as standard deviation at each grid cell for each variable are used for bias correction. The resultant WRF simulations of near‐surface temperature and precipitation are evaluated seasonally and annually against global gridded observational data sets and compared with ERA‐I reanalysis driving field. The study reveals inconsistencies between the impact of the bias correction prior to downscaling and the resultant model simulations after downscaling. Mean and standard deviation bias‐corrected WRF simulations are, however, found to be marginally better than mean only bias‐corrected WRF simulations and raw ERA‐I reanalysis‐driven WRF simulations. Performances, however, differ when assessing different attributes in the downscaled field. This raises questions about the efficacy of the correction procedures adopted.
Quantitative mapping of solute accumulation in a soil‐root system by magnetic resonance imaging
Authors: Haber‐Pohlmeier S. , Vanderborght J. , Pohlmeier A. 
Published: July 2017

AbstractDifferential uptake of water and solutes by plant roots generates heterogeneous concentration distributions in soils. Noninvasive observations of root system architecture and concentration patterns therefore provide information about root water and solute uptake. We present the application of magnetic resonance imaging (MRI) to image and monitor root architecture and the distribution of a tracer, GdDTPA2−(Gadolinium‐diethylenetriaminepentacetate) noninvasively during an infiltration experiment in a soil column planted with white lupin. We show that inversion recovery preparation within the MRI imaging sequence can quantitatively map concentrations of a tracer in a complex root‐soil system. Instead of a simpleT1weighting, the procedure is extended by a wide range of inversion times to precisely mapT1and subsequently to cover a much broader concentration range of the solute. The derived concentrations patterns were consistent with mass balances and showed that the GdDTPA2−tracer represents a solute that is excluded by roots. Monitoring and imaging the accumulation of the tracer in the root zone therefore offers the potential to determine where and by which roots water is taken up.
Comparable Rates of Glucocorticoid‐Associated Adverse Events in Patients With Polymyalgia Rheumatica and Comorbidities in the General Population
Authors: Shbeeb Izzat , Challah Divya , Raheel Shafay , Crowson Cynthia S. , Matteson Eric L. 
Published: July 2017

ObjectiveTo investigate the use of glucocorticoids (GCs) and related adverse events (AEs) in a long‐term, geographically defined cohort of patients with polymyalgia rheumatica (PMR).MethodsUsing a population‐based inception cohort, details of GC therapy were abstracted from medical records of all patients diagnosed with PMR in 2000–2014. Age‐ and sex‐matched comparators without PMR were identified from the same underlying population. Cumulative and daily dosage of GC, rate of disease relapse, occurrence of GC‐related AEs, and rate of GC discontinuation were analyzed.ResultsThe study included 359 patients with PMR and 359 comparators. The median time to taper below 5 mg/day for 6 months was 1.44 years (95% confidence interval [95% CI] 1.36–1.62), while the median time to permanent discontinuation was 5.95 years (95% CI 3.37–8.88). The mean ± SD cumulative dose of GC at 2 and 5 years was 4.0 ± 3.5 grams and 6.3 ± 9.8 grams, respectively. The mean ± SD daily dose of GC at 2 and 5 years was 6.1 ± 7.6 mg/day and 7.2 ± 9.5 mg/day, respectively. There were no differences in rates of AEs between patients with PMR and comparators for diabetes mellitus, hypertension, hyperlipidemia, or hip, vertebral, or Colles fractures (P > 0.2 for all). Cataracts were more common in patients with PMR than comparators (hazard ratio 1.72 [95% CI 1.23–2.41]).ConclusionRelapse rates in PMR are highest in the early stages of therapy. Despite often protracted therapy, with the exception of cataracts, the rates of studied morbidities linked to GC are not more common in PMR than comparators.
Relationship Between Knee Pain and Infrapatellar Fat Pad Morphology: A Within‐ and Between‐Person Analysis From the Osteoarthritis Initiative
Authors: Steidle‐Kloc Eva , Culvenor Adam G. , Dörrenberg Jan , Wirth Wolfgang , Ruhdorfer Anja , Eckstein Felix 
Published: July 2017

ObjectiveInflammation is known to be strongly associated with knee pain in osteoarthritis. The infrapatellar fat pad represents a potential source of proinflammatory cytokines. Yet the relationship between infrapatellar fat pad morphology and osteoarthritis symptoms is unclear.MethodsHere we investigate quantitative imaging parameters of infrapatellar fat pad morphology between painful versus contralateral pain‐free legs of subjects with unilateral knee pain and patients with chronic knee pain versus those of matched pain‐free control subjects. A total of 46 subjects with strictly unilateral frequent knee pain and bilateral radiographic osteoarthritis (Kellgren/Lawrence grade 2/3) were drawn from the Osteoarthritis Initiative. Further, 43 subjects with chronic knee pain over 4 years and 43 matched pain‐free controls without pain over this period were studied. Infrapatellar fat pad morphology (volume, surface area, and depth) was determined by manual segmentation of sagittal magnetic resonance images.ResultsNo significant differences in infrapatellar fat pad morphology were observed between painful versus painless knees of persons with strictly unilateral knee pain (mean difference −0.7% (95% confidence interval [95% CI] −0.6, 0.9; P = 0.64) or between chronically painful knees versus matched painless controls (−2.1% [95% CI −2.2, 1.1]; P = 0.51).ConclusionIndependent of the ambiguous role of the infrapatellar fat pad in knee osteoarthritis (a potential source of proinflammatory cytokines or a mechanical shock absorber), the size of the infrapatellar fat pad does not appear to be related to knee pain.
Engineering of Amorphous Polymeric Insulators for Organic Field‐Effect Transistors
Authors: Jiang Yingying , Guo Yunlong , Liu Yunqi 
Published: July 2017

AbstractOrganic field‐effect transistors (OFETs) have received considerable attention across the world due to their potential applications in integrated circuits for large‐area, flexible and low‐cost electronics, and a series of breakthroughs in their research have been made in the past decade. Although numerous novel organic semiconductive materials with outstanding properties have been synthesized, the fabrication of OFETs and the investigation of amorphous polymer insulators (APIs) are attracting more and more research interest due to their significance in semiconductor growth, charge transport and device stability. In this review, an introduction to APIs and OFETs is given, and the following aspects are then successively discussed: commonly used APIs in OFETs, applications of API in high‐performance OFETs, low‐energy‐consumption OFETs, functional OFETs, and self‐healing OFETs. In the last section, a projection of some future trends for APIs in OFETs is presented.
Quantum Transport in the Black‐Hole Configuration of an Atom Condensate Outcoupled Through an Optical Lattice
Authors: de Nova J. R. M. , Sols F. , Zapata I. 
Published: July 2017

AbstractThe outcoupling of a Bose‐Einstein condensate through an optical lattice provides an interesting scenario to study quantum transport phenomena or the analog Hawking effect as the system can reach a quasi‐stationary black‐hole configuration. We devote this work to characterize the quantum transport properties of quasi‐particles on top of this black‐hole configuration by computing the corresponding scattering matrix. We find that most of the features can be understood in terms of the usual Schrödinger scattering. In particular, a transmission band appears in the spectrum, with the normal‐normal transmission dominating over the anomalous‐normal one. We show that this picture still holds in a realistic experimental situation where the actual Gaussian envelope of the optical lattice is considered. A peaked resonant structure is displayed near the upper end of the transmission band, which suggests that the proposed setup is a good candidate to provide a clear signal of spontaneous Hawking radiation.
Charge‐Carrier Transport in Large‐Area Epitaxial Graphene
Authors: Kisslinger Ferdinand , Popp Matthias , Jobst Johannes , Shallcross Sam , Weber Heiko B. 
Published: July 2017

AbstractWe present an overview of recent charge carrier transport experiments in both monolayer and bilayer graphene, with emphasis on the phenomena that appear in large‐area samples. While many aspects of transport are based on quantum mechanical concepts, in the large‐area limit classical corrections dominate and shape the magnetoresistance and the tunneling conductance. The discussed phenomena are very general and can, with little modification, be expected in any atomically thin 2D conductor.
A Computational Method for Unveiling the Target Promiscuity of Pharmacologically Active Compounds
Authors: Schneider Petra , Schneider Gisbert 
Published: July 2017

AbstractDrug discovery is governed by the desire to find ligands with defined modes of action. It has been realized that even designated selective drugs may have more macromolecular targets than is commonly thought. Consequently, it will be mandatory to consider multitarget activity for the design of future medicines. Computational models assist medicinal chemists in this effort by helping to eliminate unsuitable lead structures and spot undesired drug effects early in the discovery process. Here, we present a straightforward computational method to find previously unknown targets of pharmacologically active compounds. Validation experiments revealed hitherto unknown targets of the natural product resveratrol and the nonsteroidal anti‐inflammatory drug celecoxib. The obtained results advocate machine learning for polypharmacology‐based molecular design, drug re‐purposing, and the “de‐orphaning” of phenotypic drug effects.
High‐resolution ecological niche modelling of threatened freshwater mussels in east Texas, USA
Authors: Walters Ashley D. , Ford David , Chong En Tze , Williams Marsha G. , Ford Neil B. , Williams Lance R. , Banta Joshua A. 
Published: July 2017

Abstract

Unionid freshwater mussels are one of the most imperilled groups in North America. They play an important role in freshwater ecosystems, both as a food source and as filter feeders. Their priority conservation status has generated interest in unionid research.
Here, data from the US Geological Survey was used to produce predictive models of mussel habitat affinities at a resolution of 100 m2 across an area of thousands of square kilometres.
This approach correctly identifies areas that are more suitable for threatened mussel species beds as compared with less suitable areas (>97% of the time) Stream segments were identified that are forecast to have high suitability for threatened mussels.
Potamilus amphichaenus differed from other threatened mussel species by being associated with a wider range of volumetric flow rates and by not being restricted by the clay content of the soils. Of the species examined, it was the most large‐river oriented in habitat use and distribution.
These methods can help conservation planners and land‐use managers make rational decisions about where to focus their efforts in lotic habitats without the need for intensive environmental measurements while still providing high‐resolution information.
Extreme Arctic cyclone in August 2016
Authors: Yamagami Akio , Matsueda Mio , Tanaka Hiroshi L. 
Published: July 2017

AbstractAn extremely strong Arctic cyclone (AC) developed in August 2016. The AC exhibited a minimum sea level pressure (SLP) of 967.2 hPa and covered the entire Pacific sector of the Arctic Ocean on 16 August. At this time, the AC was comparable to the strong AC observed in August 2012, in terms of horizontal extent, position, and intensity as measured by SLP. Two processes contributed to the explosive development of the AC: growth due to baroclinic instability, similar to extratropical cyclones, during the early phase of the development stage, and later nonlinear development via the merging of upper warm cores. The AC was maintained for more than 1 month through multiple mergings with cyclones both generated in the Arctic and migrating northward from lower latitudes, as a result of the high cyclone activity in summer 2016.
Screening and identification of metabolites of two kinds of main active ingredients and hepatotoxic pyrrolizidine alkaloids in rat after lavage Farfarae Flos extract by UHPLC‐Q‐TOF‐MS mass spectrometry
Authors: Cheng Xiaoye , Liao Man , Diao Xinpeng , Sun Yupeng , Zhang Lantong 
Published: July 2017

AbstractFarfarae Flos, the dried flower buds of Tussilago farfara L., is usually used to treat coughs, bronchitic and asthmatic conditions as an important traditional Chinese medicine. Tussilagone and methl butyric acid tussilagin ester are seen as representatives of two kinds of active substances. In addition, the pyrrolizidine alkaloids, mainly senkirkine and senecionine, present in the herb can be hepatoxic. In this study, a rapid and sensitive ultra‐high‐performance liquid chromatography coupled with hybrid triple quadrupole time‐of‐flight mass spectrometry method was successfully applied to identify the metabolites of tussilagone, methl butyric acid tussilagin ester, senkirkine and senecionine. A total of 35, 37, 18 and nine metabolites of tussilagone, methl butyric acid tussilagin ester, senkirkine and senecionine in rats were tentatively identified. Hydrolysis, oxidation, reduction and demethylation were the major metabolic reactions for tussilagone and methl butyric acid tussilagin ester. The main biotransformation routes of senkirkine and senecionine were identified as demethylation, N‐methylation, oxidation and reduction. This study is the first reported analysis and characterization of the metabolites and the proposed metabolic pathways might provide further understanding of the metabolic fate of the chemical constituents after oral administration of Farfarae Flos extract in vivo.
In Vivo Delivery and Activation of Masked Fluorogenic Hydrolase Substrates by Endogenous Hydrolases in C. elegans
Authors: Dube Shataakshi , Dube Hitesh , Green Nicole B. , Larsen Erik M. , White Alex , Johnson R. Jeremy , Kowalski Jennifer R. 
Published: July 2017

AbstractProtein expression and localization are often studied in vivo by tagging molecules with green fluorescent protein (GFP), yet subtle changes in protein levels are not easily detected. To develop a sensitive in vivo method to amplify fluorescence signals and allow cell‐specific quantification of protein abundance changes, we sought to apply an enzyme‐activated cellular fluorescence system in vivo by delivering ester‐masked fluorophores to Caenorhabditis elegans neurons expressing porcine liver esterase (PLE). To aid uptake into sensory neuron membranes, we synthesized two novel fluorogenic hydrolase substrates with long hydrocarbon tails. Recombinant PLE activated these fluorophores in vitro. In vivo activation occurred in sensory neurons, along with potent activation in intestinal lysosomes quantifiable by imaging and microplate and partially attributable to gut esterase 1 (GES‐1) activity. These data demonstrate the promise of biorthogonal hydrolases and their fluorogenic substrates as in vivo neuronal imaging tools and for characterizing endogenous C. elegans hydrolase substrate specificities.
Cryoballoon ablation with left lateral decubitus position in atrial fibrillation patient where the left atrium was compressed by the vertebra
Authors: Nakatani Yosuke , Yamaguchi Yoshiaki , Sakamoto Tamotsu , Kinugawa Koichiro 
Published: July 2017

Key Clinical MessageCatheter ablation of atrial fibrillation is difficult when the left atrium is compressed by the vertebra. The heart may shift forward, and compression of the left atrium may be relieved in the left lateral decubitus position. Therefore, catheter ablation could be performed in the left lateral decubitus position even in such cases.
Phosphorus‐Doped and Lattice‐Defective Carbon as Metal‐like Catalyst for the Selective Hydrogenation of Nitroarenes
Authors: Gao Ruijie , Pan Lun , Lu Jinhui , Xu Jisheng , Zhang Xiangwen , Wang Li , Zou Ji‐Jun 
Published: July 2017

AbstractWe report carbon can be activated as metal‐like hydrogenation catalyst for the selective hydrogenation of nitroarenes. Using DFT calculations we demonstrated the combination of P dopant and lattice defect in carbon can cause significant electron delocalization and change the band structure to a metal‐like one, and thus both H2 and the nitro group are easily activated for selective hydrogenation. Then we fabricated this carbon catalyst with tunable concentration of P dopant and lattice defects by polymerization and carbonization of phytic acid, and found the concentration of lattice defect is closely related to that of P‐dopants. The synthesized catalyst exhibits superior catalytic activity, perfect selectivity, and stability in the hydrogenation of nitroarenes, outperforming the reported metal‐free, metal‐oxide, and nickel catalysts. Importantly, the hydrogenation activity is linearly dependent on the P‐doping and/or defect concentration, perfectly agreeing with the DFT calculation. This work is expected to provide a cheap way for large‐scale production of anilines using metal‐like carbon catalyst.
Extended Elution by Characteristic Point Method for Characterization of Protein Ion‐Exchange Adsorption
Authors: Hartig Dave , Waluga Thomas , Schmidt Claudia , Fieg Georg , Scholl Stephan 
Published: July 2017

AbstractAn adequate characterization of adsorption isotherms is mandatory for chromatographic process development. Here, the elution by characteristic point (ECP) is a suitable method with low consumption of material and time. However, the ECP method requires a highly ideal behavior of the measured system. An innovative extended ECP approach is presented to characterize a non‐ideal system by the example of protein ion‐exchange adsorption. A marker, here bovine hemoglobin, is used to quantify all non‐idealities, e.g., convection, dispersion, or low number of theoretical plates. The system signal of the marker is used to compensate the system signal of the interesting solute, here bovine serum albumin. The resulting isotherm agrees well with the control results of a validated static approach.
Control of Helical Chirality of Ferrocene–Dipeptide Conjugates by the Secondary Structure of Dipeptide Chains
Authors: Moriuchi Toshiyuki , Nishiyama Taiki , Nobu Masaki , Hirao Toshikazu 
Published: July 2017

AbstractControlling helical chirality and creating protein secondary structures in cyclic/acyclic ferrocene–dipeptide bioorganometallic conjugates were achieved by adjusting the conformational flexibility of the dipeptide chains. In systems reported to date, the helical chirality of a conjugate was determined by the absolute configuration of the adjacent amino acid reside. In contrast, it was possible to induce both M‐ and P‐helical chirality, even when the configuration of the adjacent amino acid was the same. It is particularly interesting to note that M‐helical chirality was produced in a cyclic ferrocene–dipeptide conjugate composed of the l‐Ala‐d‐Pro‐cystamine‐d‐Pro‐l‐Ala dipeptide sequence (1), in which a type II β‐turn‐like secondary structure was established.
Accessing Low‐Valent Inorganic Cations by Using an Extremely Bulky N‐Heterocyclic Carbene
Authors: Roy Matthew M. D. , Lummis Paul A. , Ferguson Michael J. , McDonald Robert , Rivard Eric 
Published: July 2017

AbstractThe extremely bulky N‐heterocyclic carbene (NHC), ITr (ITr=[(HCNCPh3)2C:]) featuring sterically shielding umbrella‐shaped trityl (CPh3) substituents was prepared. This NHC features the highest percent buried volume (%Vbur) to date, and was used to form a thermally stable quasi one‐coordinate thallium(I) cation [ITr‐Tl]+. This TlI adduct and the corresponding lithium complex [ITr⋅Li(OEt2)]+ are versatile “all‐in‐one” transmetalation/ligation reagents for preparing low‐coordinate inorganic species inaccessible by pre‐existing routes.
Spectrophotometric measurement of human skin colour
Authors: Wang Yuzhao , Luo Ming Ronnier , Wang Mengmeng , Xiao Kaida , Pointer Michael 
Published: July 2017

AbstractThis article focuses on human skin colour. Three different colour measuring instruments were used: a tele‐spectroradiometer, a de:8° and a 45°:0° spectrophotometers. They were used to measure 47 subjects who were divided into four skin groups: Chinese, Caucasian, South‐Asian, and Dark. Eight locations for each subject were measured. The spectral reflectance results were first compared. They all showed the “W” shape between the 550 nm and 580 nm as found by the other studies. Those from the tele‐spectroradiometer had an increase from 600 nm while the others were flatter. The colorimetric data calculated from the spectral measurements revealed similar patterns to describe the colour distribution of each skin group. It was found that two scales: whiteness‐depth, and blackness‐vividness could well describe these distributions. The results also showed systematic differences between the four ethnic groups, between eight body locations, between two genders, and between the measurements from the three instruments.