bluuebunny/crossref_metadata_2025_split huggingface dataset:
HerbiPAD: a free web platform to comprehensively analyze constitutive property and herbicide‐likeness to estimate chemical bioavailability
Authors: Huang Jun‐Jie , Wang Fan , Ouyang Yan , Huang Yuan‐Qin , Jia Chen‐Yang , Zhong Hang , Hao Ge‐Fei 
Published: October 2020

AbstractBACKGROUNDHerbicides, as efficient weed control measures, play a crucial role in ensuring food security. The emergence of herbicide‐resistant weeds has negatively affected food security and promoted the demand for new and improved herbicides. The balance between bioavailability and the potency of a compound is one of the most pressing challenges in the development of novel ideal herbicides. Herbicide‐likeness analysis is crucial for the evaluation of this balance and thus may help to address this issue. Many herbicide‐likeness analysis methods have been developed to screen potential novel lead compounds. However, there remains a lack of user‐friendly and integrated tools to comprehensively evaluate herbicide‐likeness.RESULTSHerbicide‐likeness of compounds was assessed through integrated analysis incorporating the physicochemical properties of commercial herbicides, a qualitative rule, and three quantitative scoring functions developed for evaluating herbicide‐likeness. HerbiPAD (http://agroda.gzu.edu.cn:9999/ccb/database/HerbiPAD/) is a free web platform integrated with the collected database and scoring model. This platform contains 542 approved herbicides and > 29 000 physicochemical descriptors. The accuracy of HerbiPAD in distinguishing known herbicides from nonherbicides was 84.2%. In the case study, HerbiPAD evaluated 60 new compounds from seven different herbicide targets, and the accuracy of predicting better bioavailability was 83.3%.CONCLUSIONSHerbiPAD was designed to quickly and efficiently evaluate herbicide‐likeness by integrating qualitative and quantitative analyses. The simple and effective interpretation of the analysis interface may help noncomputational experts understand herbicide‐likeness. © 2020 Society of Chemical Industry
Failure mode and effect analysis using multi‐linguistic terms and Dempster–Shafer evidence theory
Authors: Hu Yushan , Gou Linfeng , Deng Xinyang , Jiang Wen 
Published: October 2020

AbstractFailure mode and effect analysis (FMEA) is a useful technique to identify and quantify potential failures. FMEA determines a potential failure mode by evaluating risk factors. In recent years, there are many works improving FMEA by allowing multiple experts to use linguistic term sets to evaluate risk factors. However, it is important to design a framework that can consider both the weight of risk factors and the weight of the experts. In addition, managing conflicts among experts is also an urgent problem to be addressed. In this paper, we proposed an FMEA model based on multi‐granularity linguistic terms and the Dempster–Shafer evidence theory. On the other hand, the weights for both experts and risk factors are taken into consideration. The weights are computed objectively and subjectively to ensure the reasonability. Further, we apply our method to an emergency department case, which shows the effectiveness of the method.
Network‐based robust event‐triggered control for continuous‐time uncertain semi‐Markov jump systems
Authors: Zhang Linchuang , Sun Yonghui , Pan Yingnan , Hou Dongchen , Wang Sen 
Published: October 2020

SummaryThis article investigates the event‐triggered (ET) states feedback robustcontrol problem for a class of continuous‐time networked semi‐Markov jump systems (S‐MJSs). An ET scheme, which depends on semi‐Markov process, is presented to design a suitable controller and save communication resources. To cope with the network transmission delay phenomenon, a time‐delay S‐MJSs model under the ET scheme is introduced to describe this phenomenon. Then, it is assumed that the communication links between event detector and zero‐order holder are imperfect, where the signal quantization and the actuator fault occur simultaneously. The sufficient conditions are derived by means of linear matrix inequalities approach, which guarantees the stochastic stability of the constructed time‐delay S‐MJSs in an optimizedperformance level. Based on these criteria, the parameters of controller under the ET scheme are readily calculated. Some simulation results with respect to F‐404 aircraft engine system for two kinds of ET parameters are given to validate the proposed method.
Ensuring performance requirements for semiactive suspension with nonconventional control systems via robust linear parameter varying framework
Authors: Németh Balázs , Gáspár Péter 
Published: October 2020

SummaryIn the article a method which is able to provide the required performance level of a system is proposed. Its principle is to combine the results of conventional control methods with those of methods based on nonconventional, for example, machine‐learning‐based ones. In more detail, it designs a robust linear parameter varying (LPV) control in a predefined form, whose output is equivalent to the output of a machine‐learning‐based control inside a predefined operational range. Outside of the operation range the output of the machine‐learning‐based control is overridden, while the intervention with the performance level is guaranteed. The efficiency of the proposed method is illustrated through an example on the semiactive suspension control design. The nonlinearities in the dynamics of the magneto‐rheological damper are considered through a nonlinear parameter varying (NLPV) model. It designs an NLPV model‐based LPV control, which is combined with a neural network to achieve preview capability.
Does harvesting cover crops eliminate the benefits of cover crops? Insights after three years
Authors: Blanco‐Canqui Humberto , Drewnoski Mary E. , Rice Daniel G. 
Published: October 2020

AbstractHarvesting cover crops (CCs) can provide economic benefits, but its impacts on soils and crop yields are little known. We studied the 3‐yr cumulative impacts of CC harvest on soil compaction, water and wind erosion potential, water infiltration, fertility, and crop yields under irrigated no‐till continuous corn (Zea mays L.) silage in southeastern Nebraska. Treatments were: (a) no CC, (b) non‐harvested multspecies CC mix, and (c) harvested CC mix (10‐cm cutting height). Compared with non‐harvested CC, harvested CCs did not affect bulk density or penetration resistance, indicating that it did not increase soil compaction risks. Similarly, it did not affect wet aggregate stability. Harvested CCs, however, reduced total cumulative infiltration by 63% (27.7 vs. 10.33 cm), organic matter concentration by 9% (44 vs. 40 g kg–1), and dry aggregate size by 21% (1.58 vs. 1.25 mm), relative to non‐harvested CCs, suggesting that harvesting CCs may reduce CC benefits of water capture and wind erosion control. Compared with no CCs, harvested CCs reduced wind‐erodible fraction by 36% (0.58 vs. 0.37) and nitrate concentration by 37% (81 vs. 51 mg kg–1), and increased dry aggregate size by 38% (0.77 vs 1.25 mm). These results suggest that harvested CCs can still provide benefits for reducing wind erosion and nitrate leaching potential relative to not planting CCs. Harvested CCs did not reduce corn silage yield in two of three years. Overall, harvesting CCs did not reduce all the soil benefits, but long‐term (>3 yr) monitoring is needed to fully understand CC harvest impacts.
Effect of Surfactants on the Structural and Luminescence Properties of γ‐CuI Nanocrystals Synthesized by Facile Sonochemical Method
Authors: Singh Narinder , Taunk Manish 
Published: October 2020

AbstractSemiconducting cuprous iodide (CuI) nanocrystals have been synthesized by the one‐pot sonochemical method at room temperature. The synthesis was performed in aqueous medium using ascorbic acid, polyvinyl pyrrolidone, p‐toluene sulfonic acid and docusate sodium as surfactants. X‐ray diffraction (XRD) study of resulting material reveals the crystalline nature, cubic zinc blende lattice structure and γ phase of CuI nanocrystals. Scherrer method, Williamson‐Hall plot and Size‐Strain plot method have been used to investigate the particle size and intrinsic strain values from the XRD analysis. Field emission scanning electron microscopy (FESEM) revealed the morphology and different shapes (truncated tetrahedron, irregular, hexagonal & clustered) of CuI nanocrystals synthesized using different surfactants. In the PL spectrum of γ‐CuI nanoparticles strong near band‐edge emission was observed at about 423 nm. A slight red‐shift in near band edge emission was observed due to the presence of surfactants. Enhanced electrical conductivity values (1.96 S/cm–9.19 S/cm) were obtained due to the presence of surfactants for γ‐CuI nanocrystals. These properties of CuI nanocrystals makes them a suitable material for the design and development of optoelectronic devices.
Photocatalytic Degradation of Methylene Blue Dye by Calcium‐and Magnesium‐Based Silicate Ceramics
Authors: Kumar Venkatraman Senthil , Saraswat Mohit , Choudhary Rajan , Senatov Fedor , Kaloshkin Sergey , Swamiappan Sasikumar 
Published: October 2020

AbstractPhotocatalytic degradation of Methylene Blue (MB) dye by using Larnite (2CaO.SiO2), Forsterite (2MgO.SiO2), and Diopside (CaO.MgO.2SiO2) under sunlight was investigated in this study. The silicate materials under catalytic examination were synthesized by the sol‐gel assisted combustion route and further characterized by UV‐visible Diffuse Reflectance Spectroscopy (DRS) for the bandgap measurement. The bandgap of as‐prepared silicates was found to be lesser than 3.3 eV. The UV‐visible spectroscopy and Chemical Oxygen Demand (COD) analysis results showed that silicate glass ceramics possess the good capability to degrade methylene blue dye in the presence of sunlight. Further degradation studies under visible and UV light irradiation was carried out and kinetics was plotted in terms of ln(C/C0) vs time for a comparative study. The photocatalytic activity of these ceramics decreases drastically from larnite to forsterite due to the presence of different metal oxides. The superior photocatalytic behavior of larnite (67.2 %, 90 %, and 97 % of MB dye degradation under sunlight, visible light, and UV light respectively), when compared to diopside, corresponds to the higher calcium oxide (CaO) to silica (SiO2) ratio.
Silver‐Catalyzed Trifluoromethylation of ortho CH Bonds in Anilines
Authors: Nguyen Tung T. 
Published: October 2020

AbstractA method for ortho‐trifluoromethylation of C−H bonds in anilines has been developed. Reactions used nucleophilic TMSCF3 as trifluoromethylating reagent in the presence of silver pivalate (AgOPiv) catalyst. Functionalities such as halogen, nitro, and ketone groups were compatible with conditions.
A TGA Investigation to Co‐Pyrolysis Characteristics of Shenhua Direct Coal Liquefaction Residue and Huolinhe Lignite and the CO2 Gasification Behavior of the Derived Char
Authors: Fan Tao , Qu Yang , Chang Zhibing , Zhou Lingmei , Hao Yan , Liu Shuai , Chu Mo 
Published: October 2020

AbstractCo‐pyrolysis of direct coal liquefaction residue (DCLR) and low rank coals was regarded as reliable and efficient method to process DCLR. The treatment of the derived co‐pyrolysis char is important for the comprehensive utilization of DCLR. In this study, the non‐isothermal co‐pyrolysis of Shenhua DCLR and Huolinhe lignite, and the isothermal CO2 gasification of the co‐pyrolysis char were performed by the thermogravimetric analysis method. The interactive effect of co‐pyrolysis and the CO2 gasification behavior of the derived char were explored by comparing the experimental and calculated thermogravimetric/derivative thermogravimetric (TG/DTG) curves and reactivity – conversion (R ‐ x) curves, respectively. The results show that the devolatilization pattern at 200–600 °C was modified and part of volatiles were released in advance. As the experimental co‐pyrolysis Tmax was lower by 7–13 °C than the calculated value, while it was almost equal to the Tmax of lignite pyrolysis. We tentatively concluded that lignite devolatilization could promote the evaporation of molten components of DCLR. Moreover, DCLR and lignite could polymerize or condensation with each other at 650–900 °C. The lignite char within co‐pyrolysis char could support the char skeleton and hold a high porosity. Therefore, the CO2 gasification reactivity of co‐pyroysis char was promoted and the experimental reactivity exceeded the calculated value over the conversion range of 12–90 %.
S2N2– A 6π‐Electron Ligand with Tunable σ‐ and π‐ Donor‐Acceptor Property
Authors: Sadik Mohammed N. K. , De Susmita 
Published: October 2020

AbstractThe usage of inorganic cyclic N‐donor based ligands, whose electronic properties can be easily and extensively tuned, are still underdeveloped. One such system is sulfur‐nitrogen compounds known to form η1and η2‐complexes with mono‐ and bi‐metallic transition metal fragments. We have undertaken an extensive theoretical investigation of the bonding nature betweenS2N2and 14 valence electron (VE) metal fragments in the mono and bi‐metallic S2N2[Mo(NO)Cl4]−and S2N2[Mo2(NO)2(Cl)8]2−. Our results indicate thatS2N2is a σ‐donor and π‐acceptor ligand. The EDA‐NOCV analysis demonstrates that the interaction betweenS2N2and metal fragments has a higher electrostatic character than a covalent character. On the contrary, the σ‐lone pair on N‐atom inS2N2is donated to the electron‐deficient 12 valence electron [Mo(NO)Cl4]+fragment in S2N2[Mo(NO)Cl4]+and S2N2[Mo2(NO)2(Cl)8]2+, while the electrons from theS2N2π‐MO are donated to the vacant d‐orbitals of the metal fragment. Besides, all these complexes show donation of lone pair on Cl attached to transition metal fragment to the S−N σ*‐MO, which can be considered as a σ‐hole that is involved in the chalcogen bond formation. Hence, our theoretical calculations suggest that theS2N2is a versatile ligand which can be tuned as σ‐donor, σ‐acceptor, π‐donor and π‐acceptor.
2‐(Het)aryl‐N‐phosphorylpyrrolidines via Cyclization of Phosphorus Acid Amides: A Regioselective Approach
Authors: Smolobochkin Andrey V. , Turmanov Rakhymzhan A. , Abdullaeva Dinara S. , Gazizov Almir S. , Voronina Julia K. , Appazov Nurbol O. , Buzyurova Daina N. , Burilov Alexander R. , Pudovik Michail A. 
Published: October 2020

AbstractA first successful synthesis of 2‐(het)aryl‐N‐phosphorylpyrrolidines is reported starting from readily available N‐(4,4‐diethoxybutyl)amides of P(V) acids. A range of phenols and hydroxyl‐substituted O‐heterocycles may be employed into the reaction furnishing N‐phosphorylated 2‐(het)arylpyrrolidines with up to 90 % yield. The developed method permits a presence of sensitive to phosphorylation hydroxy groups and provides the easy and regioselective entry to target compounds.
Organocatalysis in the Synthesis of 1,2,3‐Triazoyl‐zidovudine Derivatives: Synthesis and Preliminary Antioxidant Activity
Authors: Gomes Carolina B. , Balaguez Renata A. , Larroza Allya , Smaniotto Thiago A. , Domingues Micaela , Casaril Angela M. , Silva Márcio S. , Rodrigues Oscar E. D. , Savegnago Lucielli , Alves Diego 
Published: October 2020

AbstractWe describe herein the organocatalyzed synthesis and preliminary results of antioxidant activities of a range of 1,2,3‐triazoyl‐zidovudine derivatives. These hybrid compounds were synthesized in moderate to excellent yields by reacting zidovudine 1 with a variety of functionalized keto compounds 2, such as β‐keto‐esters, β‐diketones, β‐keto‐amides, α‐keto‐nitriles, and β‐keto‐sulfones, in the presence of a catalytic amount of 1,8‐diazabicyclo[5.4.0]undec‐7‐ene (DBU) (10 mol %). Furthermore, the synthesized compounds were screened for their in vitro antioxidant activity. Compounds 3 a, 3 d, 3 g, and 3 l inhibited the formation of reactive oxygen species (ROS) and lipid peroxidation in the prefrontal cortex and hippocampus of mice with similar potency and efficacy.
Primary Versus High School Students’ Environmental Attitudes and Pro-environmental Behavior: The Case of Embu County, Kenya
Authors: Nzengya Daniel M. , Rutere Francis 
Published: October 2020

AbstractDegradation of natural resources exacerbates a country’s vulnerability to the effects of climate change. IPCC projections suggest that countries within the horn of Africa, which include Kenya, will suffer most from extreme climate change events, particularly more frequent and prolonged droughts. Women and children suffer disproportionately from the consequences of environmental degradation. Public participation is one of the strategies governments pursue to combat environmental degradation; however, there has been limited research to better understand students’ environmental attitudes and pro-environmental behavior to better inform student-led participatory designs. Students comprise a significant proportion of the population in Kenya. This research conducted in 2018 at Nginda Ward, Embu County, comprised a survey of 121 students: 58 high school and 63 primary school students. The research investigated students’ environmental knowledge, environmental attitudes, and pro-environmental behavior. Qualitative data were analyzed thematically. Multivariate statistics (MANOVA) were used to examine the relationship between the dependent variables and the participant’s gender and level of schooling. From the results obtained, the top five most frequently mentionedlocalenvironmental problems by the students sampled included water pollution, deforestation, air pollution, scarcity of safe sources for water for domestic use, and soil erosion. Inferential statistical results revealed that there is a significant relationship between students’ level of schooling and environmental attitudes,F = 11.79, (1, 120),p < 0.01. In addition, there is a significant relationship between students’ level of schooling and environmental knowledge,that is, perceived severity of environmental problems,F = 5.33, (1, 120),p < 0.05. Research findings further revealed a significant relationship between gender and environmental knowledge,F = 9.62, (1, 120),p < 0.01. However, gender differences in pro-environmental behavior were not statistically significant. Also, differences between primary and high school students’ pro-environmental behavior were insignificant.
Two-dimensional O(n) models and logarithmic CFTs
Authors: Gorbenko Victor , Zan Bernardo 
Published: October 2020

Abstract
We study O(n)-symmetric two-dimensional conformal field theories (CFTs) for a continuous range of n below two. These CFTs describe the fixed point behavior of self-avoiding loops. There is a pair of known fixed points connected by an RG flow. When n is equal to two, which corresponds to the Kosterlitz-Thouless critical theory, the fixed points collide. We find that for n generic these CFTs are logarithmic and contain negative norm states; in particular, the O(n) currents belong to a staggered logarithmic multiplet. Using a conformal bootstrap approach we trace how the negative norm states decouple at n = 2, restoring unitarity. The IR fixed point possesses a local relevant operator, singlet under all known global symmetries of the CFT, and, nevertheless, it can be reached by an RG flow without tuning. Besides, we observe logarithmic correlators in the closely related Potts model.
„Crazy bitch!“ – Erlebte Aggression und Gewalt im Klinikalltag von Kinderärzten
Authors: Dresen Antje , Lee Susan , Pfaff Holger , Weiß Michael , Korsch Eckhard 
Published: October 2020

Zusammenfassung
Hintergrund
Es mehren sich Hinweise auf erlebte Aggressionen und Gewalt gegenüber Ärzten in Kinderkliniken. Sie werden im Kontakt mit Eltern oder Angehörigen in durch die Krankheit ihres Kindes emotional hochaufgeladenen Situationen berichtet. Mit dieser empirischen Studie wird der Frage nachgegangen, welches Ausmaß erlebtes aggressives und gewalttätiges Verhalten im Klinikalltag von Kinderärzten angenommen hat.

Methodik
Ausgewertet wurden Daten von 2 bislang unveröffentlichten bundesweiten Befragungen in den Jahren 2009 (n = 160) und 2017 (n = 190). Mit dem gleichen Fragebogen wurden etwa die Formen der aggressiven Handlung wie Druckausübung, Beschimpfung, Androhung von körperlicher Gewalt, Versuch der Anwendung von Gewalt und ausgeübte Gewalt sowie die Beschreibungen der dazugehörigen Situationen abgefragt. Die Inhalte der Beschimpfung und die Art der Bedrohung konnten über offene Fragen spezifiziert werden.

Ergebnisse
Etwa 4 von 5 Befragten informieren, jemals Ziel einer aggressiven Handlung von Eltern oder Angehörigen gewesen zu sein. In der deskriptiven Gegenüberstellung der Erhebungszeiträume betrachten die Befragten die Problematik des aggressiven Verhaltens als zunehmend relevant für ihren beruflichen Alltag. Im Jahr 2017 betonten dies 3 von 4 Befragten (71,0 %) gegenüber nur jedem Zweiten (51,9 %) im Jahr 2009. Vereinzelt wird von bis zu 60 Situationen berichtet, in beiden Befragungswellen im Median 4,0-mal/Jahr.

Diskussion
Erlebte Aggressionen und Gewalt gehören vielfach und vermehrt zum Klinikalltag auf den pädiatrischen Stationen – angefangen von Beleidigungen bis hin zu ausgeübter körperlicher Gewalt. Präventionsstrategien wie vorbeugende Trainings zu Kommunikation und Deeskalation werden explizit gewünscht.
The effect of obesity on revision rate in unicompartmental knee arthroplasty: a systematic review and meta-analysis
Authors: Musbahi Omar , Hamilton Thomas W. , Crellin Adam J. , Mellon Stephen J. , Kendrick Benjamin , Murray David W. 
Published: October 2020

AbstractThe number of patients with knee osteoarthritis, the proportion that is obese and the number undergoing unicompartmental knee arthroplasty (UKA) are all increasing. The primary aim of this systematic review was to determine the effects of obesity on outcomes in UKA. A systematic review was performed using PRISMA guidelines and the primary outcome was revision rate per 100 observed component years, with a BMI of ≥ 30 used to define obesity. The MINORS criteria and OCEBM criteria were used to assess risk of bias and level of evidence, respectively. 9 studies were included in the analysis. In total there were 4621 knees that underwent UKA. The mean age in included studies was reported to be 63 years (mean range 59.5–72 years old)) and range of follow up was 2–18 years. Four studies were OCEBM level 2b and the average MINORS score was 13. The mean revision rate in obese patients (BMI > 30) was 0.33% pa (95% CI − 3.16 to 2.5) higher than in non-obese patients, however this was not statistically significant (p = 0.82). This meta-analysis concludes that there is no significant difference in outcomes between obese and non-obese patients undergoing UKA. There is currently no evidence that obesity should be considered a definite contraindication to UKA. Further studies are needed to increase the numbers in meta-analysis to explore activity levels, surgeon’s operative data, implant design and perioperative complications and revision in more depth.Level of evidence Level III.