bluuebunny/crossref_metadata_2025_split huggingface dataset:
More efficient time integration for Fourier pseudospectral DNS of incompressible turbulence
Authors: Ketcheson David I. , Mortensen Mikael , Parsani Matteo , Schilling Nathanael 
Published: October 2019

SummaryTime integration of Fourier pseudospectral DNS is usually performed using the classical fourth‐order accurate Runge‐Kutta method or other second‐ or third‐order methods, with a fixed step size. We investigate the use of higher‐order Runge‐Kutta pairs and automatic step size control based on local error estimation. We find that the fifth‐order accurate Runge‐Kutta pair of Bogacki and Shampine gives much greater accuracy at a significantly reduced computational cost. Specifically, we demonstrate speedups of 2× to 10× for the same accuracy. Numerical tests (including the Taylor‐Green vortex, Rayleigh‐Taylor instability, and homogeneous isotropic turbulence) confirm the reliability and efficiency of the method. We also show that adaptive time stepping provides a significant computational advantage for some problems (like the development of a Rayleigh‐Taylor instability) without compromising accuracy.
Characterization of sudden and sustained base flow jump hydrologic behaviour in the humid seasonal tropics of the Panama Canal Watershed
Authors: Cheng Yanyan , Ogden Fred L. , Zhu Jianting 
Published: October 2019

AbstractBase flows are important for tropical regions with pronounced dry seasons, which are facing increasing water demands. Base flow generation, however, is one of the most challenging hydrological processes to characterize in the tropics. In many years during the May–December wet season in the Panama Canal Watershed (PCW), base flows in rivers abruptly increase. This increase persists until the start of the December–April dry season. Understanding this unusual base flow jump (BFJ) behaviour is critical to improve water provisioning in the seasonal tropics, especially during droughts and extended dry seasons. This study developed an integrated approach combining piecewise regression on cumulative average base flow and sensitivity analysis to calculate the timing and magnitude of BFJ. Rainfall, forest cover, mean land surface slope, catchment area, and estimated subsurface storage were tested as predictors for the occurrence and magnitude of the BFJs in seven subcatchments of the PCW. Sensitivity analysis on correlated predictors allowed ranking of predictor contributions due to isolated and cross‐correlation effects. Correlations between observed BFJs and BFJs predicted by watershed and rainfall‐related predictors were 0.92 and 0.65 for BFJ timing and magnitude, respectively. Forest cover was the second most significant predictor after cumulative rainfall for jump magnitude, owing to larger subsurface storage and groundwater recharge in forests than pastures. Catchments in the mountainous eastern PCW always generated larger jumps due to their higher rainfall and greater forest cover than the western PCW catchments. The cross‐correlations between predictors contributed to more than 50% of the jump variances. The results demonstrate the importance of rainfall gradient and catchment characteristics in affecting the sudden and sustained BFJs, which can help inform land management decisions intended to enhance water supplies in the tropics. This study underscores the need for more research to further understand the hydrological processes involved in the BFJ phenomenon, including better BFJ models and field characterizations, to help improve tropical ecosystem services under a changing environment.
Study on the nematicidal activity and chemical structure of NO bidentate Schiff base some metal complexes
Authors: El‐Attar Mohamed S. , Abd El‐Lattif Nosa S. , Sadeek Sadeek A. 
Published: October 2019

AbstractA series of Co(II), Cu(II), Y(III), Zr(IV), La(III), and U(VI) complexes derived from 2‐(2‐hydroxybenzylidinemine)‐benzoic acid (L) ligand were synthesized. The mode of bonding of L and the structure of its metal complexes were investigated using different analytical and spectral tools (FT‐IR, UV–Vis, 1H NMR, mass, and XRD). The ligand chelated with the metal ions as a neutral bidentate through oxygen and azomethine nitrogen atoms. All metal complexes adopted octahedral geometry with characteristic color for metal ions. The results of magnetic moment measurements supported paramagnetic for some complexes (Co(II) and Cu(II)) and diamagnetic phenomena for the other complexes. The thermal decomposition of the ligand along with its metal complexes was explained. The molar conductance values of all complexes in (DMF) were found in the range 154.50 to 250.20 S cm2 mol−1 at room temperature. The activation thermodynamic parameters, such as E*, ΔH*, ΔS* and ΔG*, were calculated from the DTG curves using Coats–Redfern (CR) and Horowitz–Metzeger (HM) methods at n = 1 or n ≠ 1. The nematicidal activity of the synthesized L and their metal complexes was screened.
Post‐endoscopic retrograde cholangiopancreatography pancreatitis in single‐stage endoscopic common bile duct stone removal
Authors: Saito Hirokazu , Koga Takehiko , Sakaguchi Masafumi , Kadono Yoshihiro , Kamikawa Kentaro , Urata Atsushi , Imamura Haruo , Tada Shuji , Kakuma Tatsuyuki , Matsushita Ikuo 
Published: October 2019

Background and AimsPapillary treatment, such as endoscopic sphincterotomy or endoscopic papillary balloon dilation, and subsequent single‐stage endoscopic stone removal are often performed for choledocholithiasis; however, the incidence of postendoscopic retrograde cholangiopancreatography pancreatitis (PEP) is unclear. This study aimed to compare the overall incidence of PEP between single‐ and two‐stage stone removal groups and the incidence of PEP between these two groups based on cannulation time.MethodsWe included 897 patients with native papilla who underwent papillary treatment and stone removal for choledocholithiasis with no inflammation or mild‐to‐moderate acute cholangitis at three institutions between April 2012 and March 2018 in Japan. We performed a propensity‐matched analysis and regression adjustment by propensity score to adjust for potential confounding factors.ResultsIn the propensity‐matched analysis with 234 pairs, there was no significant difference in the overall incidence of PEP between single‐ and two‐stage stone removal procedures (15/234, 6.4% vs 6/234, 2.6%, P = 0.072, respectively). Although single‐stage stone removal after a cannulation time of ≤15 min was not a significant risk factor of PEP, the procedure after a cannulation time of >15 min was a significant risk factor of PEP as estimated by regression adjustment by propensity score (P = 0.014, 95% CI = 1.4–19.4, odds ratio = 5.2).ConclusionsSingle‐stage endoscopic stone removal after a long cannulation time of >15 min increased the incidence of PEP compared with the two‐stage stone removal procedure. Thus, single‐stage stone removal should be performed in patients with a cannulation time ≤ 15 min.
From registration to publication: A study on Dutch academic randomized controlled trials
Authors: Huiskens Joost , Kool Boudewijn R.J. , Bakker Jean‐Michel , Bruns Emma R.J. , de Jonge Stijn W. , Olthof Pim B. , van Rosmalen Belle V. , van Gulik Thomas M. , Hooft Lotty , Punt Cornelis J.A. 
Published: October 2019

IntroductionRegistration of clinical trials has been initiated in order to assess adherence of the reported results to the original trial protocol. This study aimed to investigate the publication rates, timely dissemination of results, and the prevalence of consistency in hypothesis, sample size, and primary endpoint of Dutch investigator‐initiated randomized controlled clinical trials (RCTs).MethodsAll Dutch investigator‐initiated RCTs with a completion date between December 31, 2010, and January 1, 2012, and registered in the Trial Register of The Netherlands database were included. PubMed was searched for the publication of these RCT results until September 2016, and the time to the publication date was calculated. Consistency in hypothesis, sample size, and primary endpoint compared with the registry data were assessed.ResultsThe search resulted in a total of 168 Dutch investigator‐initiated RCTs. In September 2016, the results of 129 (77%) trials had been published, of which 50 (39%) within 2 years after completion of accrual. Consistency in hypothesis with the original protocol was observed in 108 (84%) RCTs; in 71 trials (55%), the planned sample size was reached; and 103 trials (80%) presented the original primary endpoint. Consistency in all three parameters was observed in 50 studies (39%).ConclusionThis study shows that approximately one out of four Dutch investigator‐initiated RCTs remains unpublished 5 years after initiation. The observed low overall consistency with the initial study outline is a matter of concern and warrants improvements in trial design and assessment of trial feasibility.
Sulfur bentonite‐organic‐based fertilizers as tool for improving bio‐compounds with antioxidant activities in red onion
Authors: Muscolo Adele , Papalia Teresa , Settineri Giovanna , Mallamaci Carmelo , Panuccio Maria R 
Published: October 2019

AbstractBACKGROUNDRed onion is popular in cuisines worldwide and is valued for its potential medicinal properties. Red onion is an important source of several phytonutrients such as flavonoids, thiosulfinates and other sulfur compounds, recognized as important elements of the diet. Nowadays, there is the need of producing food enriched in health benefit compounds. In this study, pads of sulfur bentonite (SB) with the addition of orange residue (OR) or olive pomace (OP) were used to improve the quality of red onion. The experiment was conducted for 3 months in the field to evaluate the phytochemicals of differently amended red onion.RESULTSTreated plants were better in quality than controls. Antioxidant activity, detected as DPPH, ORAC and ABTS, was highest in plants grown in the presence of SB enriched with agricultural wastes, particularly SB‐OR. Polyphenols increased in all treated plants. The volatile fraction was clearly dominated by sulfur compounds that are strictly related to the concentration of the aroma precursorsS‐alkenyl cysteine sulfoxides. The greater amount of thiosulfinates in treated compared with untreated onion evidenced that SB pelletized with agricultural wastes can represent a new formulation of organic fertilizer able to improve the beneficial properties of onion. The results highlighted that the best red onion quality was obtained using SB‐OR pads.CONCLUSIONThe use of SB bound with agricultural wastes represents a novel strategy to increase bio‐compounds with beneficial effects on human health, to enhance the medical and economic values of sulfur‐loving crops, with important consequences on the bio and green economy. © 2019 Society of Chemical Industry
Alkaloid purification using rosin‐based polymer‐bonded silica stationary phase in HPLC
Authors: Sun Yao , Li Pengfei , Wang Ting , Qin Liting , Cheng Gege , Shen Liqun , Yao Xingdong , Wei Shaoping , Jiang Jianxin , Lei Fuhou 
Published: October 2019

AbstractAlkaloids are important natural products that exhibit a wide spectrum of pharmacological activities. To efficiently separate and purify them, a rosin‐based polymer‐bonded silica stationary phase in high‐performance liquid chromatography was synthesized via the surface radical polymerization of ethylene glycol maleic rosinate acrylate and methacrylic acid onto functionalized silica. The stationary phases, columns, optimization of chromatographic conditions for alkaloids, and thermodynamic behavior of the analytes on the column were fully studied. Under the optimized conditions, the prepared column efficiently purified natural camptothecine, caffeine, and evodiamine with the corresponding purities of 92, 96, and 97%. With this work, we have developed an efficient approach to isolate alkaloids and promoted the research on rosin‐based materials in biomedicine and analytical chemistry.
Treatment Responsiveness of Motor Features in Parkinson's Disease: A Matched Case‐Control Analysis
Authors: Macleod Angus D. , Counsell Carl E. 
Published: October 2019

ABSTRACTBackgroundTreatment response in PD is important clinically and for research diagnostic criteria, but few objective data show treatment‐responsiveness of PD motor features.ObjectivesTo evaluate the treatment response of motor features to moderate treatment doses in a “real‐world” PD cohort.MethodsWe analyzed data from a community‐based incident cohort of PD in North‐East Scotland (PINE study). We assessed change in the UPDRS motor scale and its individual items over a period of up to 13 months comparing (1) patients with an increase of at least 300 mg of levodopa‐equivalent dose (LED) and (2) patients without treatment change, matched for age, sex, and disease duration.ResultsWe identified 101 matched pairs of patients with and without a treatment increase. LED increases were mostly 300 to 375 mg/day. Forty‐two percent with treatment increase had ≥30% improvement in overall UPDRS motor score, a further 35% had substantial subjective improvement, but only 1 had an objective excellent (>70%) treatment response. Women responded better than men by 5.4 points (95% confidence interval [CI]: 2.7–8.1). All motor features improved with treatment, but after adjustment for age, sex, and initial score, only rest tremor (P < 0.001), rigidity (P = 0.01), bradykinesia (<0.001), posture (P = 0.01), and gait (P = 0.03) had significant improvements, compared to those with no treatment change. Dopa‐less‐responsive motor items, taken together, had small statistically significant relative improvements (1.1‐point difference [95% CI: 0.4–1.8]; P = 0.004).ConclusionsMotor items sometimes previously considered dopa unresponsive have small improvements with moderate LED increases. Women respond better than men. Excellent treatment responses are uncommon. These data can inform clinical decisions about treatment.
Applied Thermodynamics for Process Modeling in Catalytic Gas Phase Olefin Polymerization Reactors
Authors: Bashir Muhammad Ahsan , Kanellopoulos Vasileios , Al‐haj Ali Mohammad , McKenna Timothy F.L. 
Published: October 2019

AbstractThe Sanchez–Lacombe Equation of State (SL EoS) is used to model the solubility of different industrial alkane penetrants in polyethylene to explain the importance of considering different diluents for different processes, and the impact that this choice can have on operating conditions, especially for the production of linear low density polyethylene (LLDPE). Extension of this approach to ternary (ethylene/penetrant/LLDPE) systems shows the effect of composition of penetrant/ethylene mixtures on the solubility of such mixtures in LLDPE and swelling of the polymer phase at conditions of industrial relevance. This analysis reveals that using a constant polymer density instead of that predicted by the SL EoS can result in erroneous calculations of the particle size distribution developments in an olefin polymerization reactor.
Influence of inclination angles and confining pressures on mechanical behavior of rock materials containing a preexisting crack
Authors: Zhao Cheng , Zhou Yimeng , Zhang Qingzhao , Zhao Chunfeng , Matsuda Hiroshi 
Published: October 2019

SummaryTo deeply understand the cracking mechanical behavior of brittle rock materials, numerical simulations of a rock specimen containing a single preexisting crack were carried out by the expanded distinct element method (EDEM). Based on the analysis of crack tips and a comparison between stress‐ and strain‐based methods, the strain strength criterion was adopted in the numerical models to simulate the crack initiation and propagation processes under uniaxial and biaxial compression. The simulation results indicated that the crack inclination angle and confining pressure had a great influence on the tensile and shear properties, peak strength, and failure behaviors, which also showed a good agreement with the experimental results. If the specimen was under uniaxial compression, it was found that the initiation stress and peak strength first decreased and then increased with an increasing inclination angle α. Regardless of the size of α, tensile cracks initiated prior to shear cracks. If α was small (such as α ≤ 30°), the tensile cracks dominated the specimen failure, the wing cracks propagated towards the direction of uniaxial compression, and the propagation of shear cracks was inhibited by the high concentration of tensile stress. In contrast, if α was large (such as α ≥ 45°), mixed cracks dominated the specimen failure, and the external loading favored the further propagation of shear cracks. Analyzing the numerical results of the specimen with a 45° inclination angle under biaxial compression, it was revealed that lateral confinement had a significant influence on the initiation sequence and the mechanical properties of new cracks.
The Role of Trait and State Perfectionism in Psychological Detachment From Daily Job Demands
Authors: Reis Dorota , Prestele Elisabeth 
Published: October 2019

AbstractPsychological detachment has been proposed to be a mediator of the relations between an individual's responses to stressful work‐related experiences and mid‐ and long‐term health. However, the number of studies that have specifically examined the role that personal characteristics play in these associations is considerably small. One personal characteristic that might specifically interfere with psychological detachment is perfectionism, which has been considered an important vulnerability factor for the development of psychological disorders. Hence, the goal of this registered report was to extend research on psychological detachment by introducing trait and state perfectionism as moderators of the aforementioned relations. We conducted an experience sampling study with three measurement occasions per day over the course of 3 working weeks (N = 158 employees; Mage = 41.6; 67% women). Multilevel path models showed that perfectionistic concerns consistently determined strain responses at between‐ and within‐levels of analyses even after the effects of job demands (i.e., unfinished tasks and role ambiguity) and detachment were accounted for. However, we found no evidence for the proposed moderation effects. The theoretical implications for the understanding of the processes proposed in the stressor‐detachment model are discussed.
Functionalized DNA Enables Programming Exosomes/Vesicles for Tumor Imaging and Therapy
Authors: Fan Zhijin , Xiao Keng , Lin Jingyan , Liao Yuhui , Huang Xi 
Published: October 2019

AbstractExosomes serve as significant information carriers that regulate important physiological and pathological processes. Herein, functionalized DNA is engineered to be a hinge that anchors quantum dots (QDs) onto the surface of exosomes, realizing a moderate and biocompatible labeling strategy. The QDs‐labeled exosomes (exosome–DNA–QDs complex) can be swiftly engulfed by tumor cells, indicating that exosome–DNA–QDs can be applied as a specific agent for tumor labeling. Furthermore, the engineered artificial vesicles of M1 macrophages (M1mv) are constructed via a pneumatic liposome extruder. The results reveal that the individual M1mv can kill tumor cells and realize desirable biological treatment. To reinforce the antitumor efficacy of M1mv and the specificity of drug release, a target‐triggered drug delivery system is constructed to realize a specific microRNA‐responded delivery system for visual therapy of tumors. These strategies facilitate moderate labeling and functionalization of exosomes/vesicles and construct artificial drug‐delivery vesicles that simultaneously possess biological treatment and chemotherapy functions, and thus have the potential to serve as a new paradigm for tumor labeling and therapy.
Impact of maternal obesity on fetal cardiac screening: which follow‐up strategy is cost‐effective?
Authors: Bak G. S. , Shaffer B. L. , Madriago E. , Allen A. , Kelly B. , Caughey A. B. , Pereira L. 
Published: October 2019

ABSTRACTObjectiveTo perform a cost‐effectiveness analysis of different follow‐up strategies for non‐obese and obese women who had incomplete fetal cardiac screening for major congenital heart disease (CHD).MethodsThree decision‐analytic models, one each for non‐obese, obese and Class‐III‐obese women, were developed to compare five follow‐up strategies for initial suboptimal fetal cardiac screening. The five strategies were: (1) no follow‐up ultrasound (US) examination but direct referral to fetal echocardiography (FE); (2) one follow‐up US, then FE if fetal cardiac views were still suboptimal; (3) up to two follow‐up US, then FE if fetal cardiac views were still suboptimal; (4) one follow‐up US and no FE; and (5) up to two follow‐up US and no FE. The models were designed to identify fetuses with major CHD in a theoretical cohort of 4 000 000 births in the USA. Outcomes related to neonatal mortality and neurodevelopmental disability were evaluated. A cost‐effectiveness willingness‐to‐pay threshold was set at US$100 000 per quality‐adjusted life year (QALY). Base‐case and sensitivity analysis and Monte‐Carlo simulation were performed.ResultsIn our base‐case models for all body mass index (BMI) groups, no follow‐up US, but direct referral to FE led to the best outcomes, detecting 7%, 25% and 82% more fetuses with CHD in non‐obese, obese and Class‐III‐obese women, respectively, compared with the baseline strategy of one follow‐up US and no FE. However, no follow‐up US, but direct referral to FE was above the US$100 000/QALY threshold and therefore not cost‐effective. The cost‐effective strategy for all BMI groups was one follow‐up US and no FE. Both up to two follow‐up US with no FE and up to two follow‐up US with FE were dominated (being more costly and less effective), while one follow‐up US with FE was over the cost‐effectiveness threshold. One follow‐up US and no FE was the optimal strategy in 97%, 93% and 86% of trials in Monte‐Carlo simulation for non‐obese, obese and Class‐III‐obese models, respectively.ConclusionFor both non‐obese and obese women with incomplete fetal cardiac screening, the optimal CHD follow‐up screening strategy is no further US and immediate referral to FE; however, this strategy is not cost‐effective. Considering costs, one follow‐up US and no FE is the preferred strategy. For both obese and non‐obese women, Monte‐Carlo simulations showed clearly that one follow‐up US and no FE was the optimal strategy. Both non‐obese and obese women with initial incomplete cardiac screening examination should therefore be offered one follow‐up US. Copyright © 2019 ISUOG. Published by John Wiley & Sons Ltd.
Solving LPN Using Covering Codes
Authors: Guo Qian , Johansson Thomas , Löndahl Carl 
Published: October 2019

Abstract
We present a new algorithm for solving the LPN problem. The algorithm has a similar form as some previous methods, but includes a new key step that makes use of approximations of random words to a nearest codeword in a linear code. It outperforms previous methods for many parameter choices. In particular, we can now solve the $$(512,\frac{1}{8})$$(512,18) LPN instance with complexity less than $$2^{80}$$280 operations in expectation, indicating that cryptographic schemes like HB variants and LPN-C should increase their parameter size for 80-bit security.