bluuebunny/crossref_metadata_2025_split huggingface dataset:
Elektrokatalytische NADH‐Cofaktor‐Regenerierung in der Bulkphase mit bipolarer Elektrochemie
Authors: Zhang Chunhua , Zhang Huiting , Pi Junying , Zhang Lin , Kuhn Alexander 
Published: October 2021

AbstractDie elektrochemische Regenerierung von reduziertem Nikotinamid‐Adenin‐Dinukleotid (NADH) ist eine Herausforderung für die elektroenzymatische Synthese vieler wertvoller Chemikalien. Obwohl mit modifizierten Elektroden einige wichtige Fortschritte bei der Reduktion von NAD+ erzielt wurden, ist die Maßstabsvergrößerung aufgrund der Beschränkungen des Massentransports, die großen Elektroden eigen sind, schwierig. Hier schlagen wir stattdessen vor, eine Dispersion elektrokatalytisch aktiver modifizierter Mikropartikel in der Bulkphase einer bipolaren elektrochemischen Zelle zu verwenden. Auf diese Weise finden Redoxreaktionen gleichzeitig an allen diesen einzelnen Mikroelektroden statt, ohne dass eine direkte elektrische Verbindung erforderlich ist. Das Konzept wird durch die Verwendung von [Rh(Cp*)(bpy)Cl]+ funktionalisierten Oberflächen, entweder von Kohlenstofffilz als Referenzmaterial, oder von Kohlenstoffmikrokügelchen als bipolare Objekte, validiert. Im letzteren Fall wird das enzymatisch aktive 1,4‐NADH an der negativ polarisierten Seite der Partikel generiert. Die Effizienz des Systems kann durch Steuerung des elektrischen Feldes im Reaktionsraum und durch die Anzahl der verteilten Mikroelektroden fein abgestimmt werden. Dieser drahtlose bioelektrokatalytische Ansatz eröffnet sehr interessante Perspektiven für die elektroenzymatische Synthese in der Bulkphase.
Dynamic Restructuring of Coordinatively Unsaturated Copper Paddle Wheel Clusters to Boost Electrochemical CO2 Reduction to Hydrocarbons**
Authors: Zhang Wei , Huang Chuqiang , Zhu Jiexin , Zhou Qiancheng , Yu Ruohan , Wang Yali , An Pengfei , Zhang Jing , Qiu Ming , Zhou Liang , Mai Liqiang , Yi Zhiguo , Yu Ying 
Published: October 2021

AbstractThe electrochemical reduction of CO2 to hydrocarbons involves a multistep proton‐coupled electron transfer (PCET) reaction. Second coordination sphere engineering is reported to be effective in the PCET process; however, little is known about the actual catalytic active sites under realistic operating conditions. We have designed a defect‐containing metal–organic framework, HKUST‐1, through a facile “atomized trimesic acid” strategy, in which Cu atoms are modified by unsaturated carboxylate ligands, producing coordinatively unsaturated Cu paddle wheel (CU−CPW) clusters. We investigate the dynamic behavior of the CU−CPW during electrochemical reconstruction through the comprehensive analysis of in situ characterization results. It is demonstrated that Cu2(HCOO)3 is maintained after electrochemical reconstruction and that is behaves as an active site. Mechanistic studies reveal that CU−CPW accelerates the proton‐coupled multi‐electron transfer (PCMET) reaction, resulting in a deep CO2 reduction reaction.
Preparation and properties of transparent powder filled soft poly(vinyl chloride) composite film with high transparency
Authors: Wang Ran , Xu Shiai 
Published: October 2021

AbstractIn this study, transparent powder (TP) with a refractive index similar to that of poly(vinyl chloride) (PVC) was used as inorganic filler to prepare PVC composite film with high transparency. TP was modified with γ‐methylacryloxypropyl trimethoxy silane (KH570) and characterized by Fourier transform infrared spectroscopy, X‐ray diffraction, and Zeta potential analysis. Then, KH570 modified TP was incorporated into PVC, and its effects on the mechanical, transparent, and thermal properties of soft PVC composite film were investigated by tensile test, transmittance measurement and thermogravimetric analysis. The results show that the optimum loading of modified TP is 7.5 phr (mass), at which the breaking strength (18.5 MPa) and elongation at break (669.5%) of the composite film are 60.9% and 54.0% higher than that of pure PVC film, respectively. The highest light transmittance is 85.6% at a filler loading of 5 phr. Thus, TP filled PVC composite film has excellent mechanical transparent properties and high transparency.
Bio‐based epoxy modified with nano‐SiO2 and organosilicon for controlled‐release urea
Authors: Chen Songling , Han Yanyu , Chen Chunyu , Liu Hongdou , Zou Hongtao 
Published: October 2021

AbstractNearly 100 million tons of spent mushroom substrates (SMS) are discarded annually in China, which causes a series of environmental pollutants. To improve the nitrogen (N) use efficiency of and to shift dependence away from petroleum‐based products, a novel bio‐based epoxy coated urea was successfully developed. The bio‐based epoxy coating was synthesized from the liquefied SMS and bisphenol‐A diglycidyl ether. Subsequently, both nano‐SiO2 and organosilicon were employed to modify the bio‐based epoxy and increase its hydrophobicity. Water absorption, ammonium adsorption, and water contact angles of the bio‐based epoxy coatings were investigated. The nutrient release behaviors of the bio‐based epoxy coated urea in water were also investigated and the modification mechanisms were explored by Fourier transform infrared, scanning electron microscopy–energy‐dispersive X‐ray spectroscopy and thermogravimetric analysis. The results revealed that the hydrophobic ability of the nano‐SiO2 and organosilicon dual modified bio‐based epoxy coated urea coating was significantly enhanced and that its nutrient release longevity was increased to 56 days. Therefore, this work demonstrated that bio‐based epoxy coated urea with superior release characteristics exhibited great potential in modern agricultural applications.
Stick‐slip and convergence of feedback‐controlled systems with Coulomb friction
Authors: Ruderman Michael 
Published: October 2021

AbstractAn analysis of stick‐slip behavior and convergence of trajectories in the feedback‐controlled motion systems with discontinuous Coulomb friction is provided. A closed‐form parameter‐dependent stiction region, around an invariant equilibrium set, is proved to be always reachable and globally attractive. It is shown that only asymptotic convergence can be achieved, with at least one but mostly an infinite number of consecutive stick‐slip cycles, independent of the initial conditions. Theoretical developments are supported by a number of numerical results with dedicated convergence examples.
Stability considerations of a Schwarzschild black hole with an dependent mass‐function
Authors: Hess Peter Otto , López‐Moreno Enrique 
Published: October 2021

AbstractThe axial and polar modes for the ring down of a Schwarzschild black hole are calculated using an ‐dependent mass‐function and finally applying the asymptotic iteration method (AIM). We were able to reach up to 500 iterations, obtaining for the first time convergence for a wide range of large damping modes. The general relativity (GR) and an extended model with an ‐dependent mass‐function are compared. This mass‐function allows an analytical solution for the Tortoise coordinate. The example of the mass‐function corresponds to the leading correction for possible extended theories and serves as a starting point to treat other ‐dependent parameter mass‐functions.
Assessing global developmental delay across instruments in minimally verbal preschool autistic children: The importance of a multi‐method and multi‐informant approach
Authors: Girard Dominique , Courchesne Valérie , Degré‐Pelletier Janie , Letendre Camille , Soulières Isabelle 
Published: October 2021

AbstractIntellectual assessment in preschool autistic children bears many challenges, particularly for those who have lower language and/or cognitive abilities. These challenges often result in underestimation of their potential or exclusion from research studies. Understanding how different instruments and definitions used to identify autistic preschool children with global developmental delay (GDD) affect sample composition is critical to advance research on this understudied clinical population. This study set out to examine the extent to which using different instruments to define GDD affects sample composition and whether different definitions affect resultant cognitive and adaptive profiles. Data from the Mullen Scales of Early Learning and the Vineland Adaptive Behavior Scales—Second Edition, a parent‐report tool, were analyzed in a sample of 64 autistic and 73 neurotypical children (28–69 months). Our results highlight that cognitive assessment alone should not be used in clinical or research practices to infer a comorbid diagnosis of GDD, as it might lead to underestimating autistic children's potential. Instead, using both adaptive and cognitive levels as a stratification method to create subgroups of children with and without GDD might be a promising approach to adequately differentiate them, with less risk of underestimating them.
Urbaner Holzbau
Authors: Kühl Michael 
Published: October 2021

AbstractDie verheerenden Stadtbrände im Mittelalter und der Siegeszug des Stahlbetons nach dem Zweiten Weltkrieg haben dazu geführt, dass Holz als Baustoff in deutschen Großstädten quasi nicht vorhanden ist. Seit einigen Jahren nun erlebt der Baustoff durch die Änderung der Bauordnungen und die verstärkten Nachhaltigkeitsdebatten einen enormen Aufschwung. So auch in Berlin, wo mit dem Projekt „Walden 48“ eines der größten Holzgebäude der Hauptstadt entstanden ist. Das Wohngebäude ist eine Hybridkonstruktion mit Holz‐Betonverbunddecken, tragenden Brettsperrholzschotten und Stahlbetonkernen. Weitgespannte Decken, auskragende wandartige Träger aus Brettsperrholz, hoch belastete Stützen aus BauBuche in den Untergeschossen und hölzerne Fassaden mit hohen schalltechnischen Anforderungen zeigen eindrucksvoll die Leistungsfähigkeit des modernen Holzbaus im urbanen Kontext.
A combined MaxEnt and GIS‐based methodology to estimate cactus pear biomass distribution: application to an area of southern Italy
Authors: Leanza Paola Maria , Valenti Francesca , D'Urso Provvidenza Rita , Arcidiacono Claudia 
Published: October 2021

AbstractThe need to investigate suitable alternatives to conventional fossil fuels has increased interest in several renewable energy sources, especially in widely available sources of biomass. This has made environmental and socio‐economic improvements possible. In recent years, biogas from biomass has increasingly been considered the most feasible alternative to energy from fossil fuel, as it allows both the possibility to reduce waste disposal treatment and the opportunity to produce green energy. Opuntia ficus‐indica (OFI) has been suggested as a possible biomass as it could represent a suitable resource for producing biomethane as a new frontier within the context of a circular economy. This study aims to define a methodology for evaluating the distribution of OFI biomass that is potentially available for biogas production by applying maximum entropy modeling in a case study of a province located in southern Italy. The geographic information system (GIS)‐based model that was developed made it possible to estimate the suitability of the species in the territory and to define specific indices at the municipal level by enabling the localization of the highest productive territorial areas. Municipalities were grouped into three different classes ranging from low to high potential ones. In future years, new municipalities could be part of the high‐potential group, due to global warming resulting from climate change. The results could be relevant to the intervention priorities established by the European Union related to the planning activities supported by the European Structural and Investment Funds within the Smart Specialization Strategy. In this regard, knowledge of the potential production and distribution of a species in a territory is highly valuable information for the quantification of the biomass potentially available for biogas production, prior to strategic planning for the improvement of the biogas sector. © 2021 Society of Chemical Industry and John Wiley & Sons, Ltd
From celiac disease to coccidia infection and vice‐versa: The polyQ peptide CXCR3‐interaction axis
Authors: Lauxmann Martin A. , Vazquez Diego S. , Schilbert Hanna M. , Neubauer Pia R. , Lammers Karen M. , Dodero Veronica I. 
Published: October 2021

AbstractZonulin is a physiological modulator of intercellular tight junctions, which upregulation is involved in several diseases like celiac disease (CeD). The polyQ gliadin fragment binds to the CXCR3 chemokine receptor that activates zonulin upregulation, leading to increased intestinal permeability in humans. Here, we report a general hypothesis based on the structural connection between the polyQ sequence of the immunogenic CeD protein, gliadin, and enteric coccidian parasites proteins. Firstly, a novel interaction pathway between the parasites and the host is described based on the structural similarities between polyQ gliadin fragments and the parasite proteins. Secondly, a potential connection between coccidial infections as a novel environmental trigger of CeD is hypothesized. Therefore, this report represents a promising breakthrough for coccidian research and points out the potential role of coccidian parasites as a novel trigger of CeD that might define a preventive strategy for gluten‐related disorders in general. Also see the video abstract here: https://youtu.be/oMaQasStcFI
The environmental performance of UK‐based B Corp companies: An analysis based on the triple bottom line approach
Authors: Liute Adriana , De Giacomo Maria Rosa 
Published: October 2021

AbstractThe B Corp certification recognizes high social and environmental performance in business. This performance is measured in five pillars—Governance, Workers, Community, Environment, and Customers—but with no minimum threshold per pillar. This allows companies to choose those impact areas where they want to perform well. This study, based on the triple bottom line theory, analyses the environmental performance of 68 UK‐based B Corps from two environmentally sensitive sectors: manufacturing and wholesale/retail. We use an inductive approach that combines quantitative and qualitative methods to find out whether this trade‐off‐permitting approach leads to high environmental performance in companies and whether the certification successfully prevents greenwashing. Our results show firstly that companies in the two sectors tend to perform better socially than environmentally; secondly, that prioritizing one social impact area generally leads to below‐average environmental performances compared to certified peers; and thirdly, that to rule out greenwashing, B Corp should ensure certified companies display high levels of environmental performance and that they align their “green” claims to their performance.
Ectopic right coronary artery arising from the left sinus of Valsalva: A rare variant
Authors: Badri Mohamed , Qassem Nora , Mohammed Awadalkareem M. A. , Eljack Moh.Mah.Fadel Allah , Mohamed Ahmed Khabab Abbasher Hussien , Elmahi Osman Kamal Osman , Omer Mohammed Eltahier Abdalla 
Published: October 2021

AbstractAn ectopic coronary artery is observed in 0.05–0.1% of angiographic series, may be of tangential origin or proximal endocardial pathway, may result in a slit hole that interferes with flow, and is associated with sudden death.
Strong Ligand Stabilization Based on π‐Extension in a Series of Ruthenium Terpyridine Water Oxidation Catalysts
Authors: Amthor Sebastian , Hernández‐Castillo David , Maryasin Boris , Seeber Phillip , Mengele Alexander K. , Gräfe Stefanie , González Leticia , Rau Sven 
Published: October 2021

AbstractThe substitution behavior of the monodentate Cl ligand of a series of ruthenium(II) terpyridine complexes (terpyridine (tpy)=2,2′:6′,2′′‐terpyridine) has been investigated. 1H NMR kinetic experiments of the dissociation of the chloro ligand in D2O for the complexes [Ru(tpy)(bpy)Cl]Cl (1, bpy=2,2’‐bipyridine) and [Ru(tpy)(dppz)Cl]Cl (2, dppz=dipyrido[3,2‐a:2′,3′‐c]phenazine) as well as the binuclear complex [Ru(bpy)2(tpphz)Ru(tpy)Cl]Cl3 (3 b, tpphz=tetrapyrido[3,2‐a:2′,3′‐c:3′′,2′′‐h:2′′′,3′′′‐j]phenazine) were conducted, showing increased stability of the chloride ligand for compounds 2 and 3 due to the extended π‐system. Compounds 1–5 (4=[Ru(tbbpy)2(tpphz)Ru(tpy)Cl](PF6)3, 5=[Ru(bpy)2(tpphz)Ru(tpy)(C3H8OS)/(H2O)](PF6)3, tbbpy=4,4′‐di‐tert‐butyl‐2,2′‐bipyridine) are tested for their ability to run water oxidation catalysis (WOC) using cerium(IV) as sacrificial oxidant. The WOC experiments suggest that the stability of monodentate (chloride) ligand strongly correlates to catalytic performance, which follows the trend 1>2>5≥3>4. This is also substantiated by quantum chemical calculations, which indicate a stronger binding for the chloride ligand based on the extended π‐systems in compounds 2 and 3. Additionally, a theoretical model of the mechanism of the oxygen evolution of compounds 1 and 2 is presented; this suggests no differences in the elementary steps of the catalytic cycle within the bpy to the dppz complex, thus suggesting that differences in the catalytic performance are indeed based on ligand stability. Due to the presence of a photosensitizer and a catalytic unit, binuclear complexes 3 and 4 were tested for photocatalytic water oxidation. The bridging ligand architecture, however, inhibits the effective electron‐transfer cascade that would allow photocatalysis to run efficiently. The findings of this study can elucidate critical factors in catalyst design.
Regioselective Magnesiation and Zincation Reactions of Aromatics and Heterocycles Triggered by Lewis Acids
Authors: Kremsmair Alexander , Hess Andreas , Heinz Benjamin , Knochel Paul 
Published: October 2021

AbstractMixed TMP‐bases (TMP=2,2,6,6‐tetramethylpiperidyl), such as TMPMgCl ⋅ LiCl, TMP2Mg ⋅ 2LiCl, TMPZnCl ⋅ LiCl and TMP2Zn ⋅ 2LiCl, are outstanding reagents for the metalation of functionalized aromatics and heterocycles. In the presence of Lewis acids, such as BF3 ⋅ OEt2 or MgCl2, the metalation scope of such bases was dramatically increased, and regioselectivity switches were achieved in the presence or absence of these Lewis acids. Furthermore, highly reactive lithium bases, such as TMPLi or Cy2NLi, are also compatible with various Lewis acids, such as MgCl2 ⋅ 2LiCl, ZnCl2 ⋅ 2LiCl or CuCN ⋅ 2LiCl. Performing such metalations in continuous flow using commercial setups permitted practical and convenient reaction conditions.
Efficient Decarboxylative/Defluorinative Alkylation for the Synthesis of gem‐Difluoroalkenes through an SN2’‐Type Route
Authors: Xing Wei‐Long , Wang Jia‐Xin , Fu Ming‐Chen , Fu Yao 
Published: October 2021

Comprehensive SummaryAn efficient decarboxylative/defluorinative alkylation for synthesizing gem‐difluoroalkenes is described, providing a general method for installation of the challenging alkyl fragments containing α‐electron‐withdrawing groups into α‐trifluoromethyl alkenes. Mechanistic studies suggest that this process involves an SN2′‐type synthetic route in the absence of transition‐metal catalysts or photocatalysis. Moreover, this protocol can easily be scaled up, and successfully applied to the modification of biologically active molecules, thus complementing methodologies that give access to structurally versatile gem‐difluoroalkenes.
PROTOCOL: The relationship between homework time and academic performance among K‐12 students: A systematic review
Authors: Guo Liping , Li Jieyun , Xu Zheng , Hu Xiaoling , Liu Chunyan , Xing Xin , Li Xiuxia , White Howard , Yang Kehu 
Published: October 2021

AbstractThis review will synthesize the results from publications focused on homework time and academic performance, and estimate the relationship between the two. Our objectives are: (1) To identify the extent of the relationship between homework time and students' academic performance; (2) To analyze the differences in the effectiveness of homework time across genders, grades, subject and regions; and (3) To identify the potential factors that affect homework time, such as academic subject, task difficulty, type of homework, mode of homework, parental involvement, and feedback on homework.
Chronic comorbid conditions among adult cancer survivors in the United States: Results from the National Health Interview Survey, 2002‐2018
Authors: Jiang Changchuan , Deng Lei , Karr Matthew A. , Wen Yumeng , Wang Qian , Perimbeti Stuthi , Shapiro Charles L. , Han Xuesong 
Published: October 2021

BackgroundCancer survivors develop other chronic medical conditions because of shared risk factors and delayed effects of cancer treatment. This study investigated trends in the prevalence of chronic diseases and estimated their population sizes among adult cancer survivors in the United States from 2002 to 2018.MethodsUsing 2002‐2018 National Health Interview Survey data, this study calculated the age‐sex‐race/ethnicity–adjusted prevalences and estimated the population sizes for the following chronic conditions among cancer survivors: hypertension, diabetes, stroke, heart disease, chronic obstructive pulmonary disease (COPD)/asthma, hepatitis, arthritis, liver disease, kidney disease, and morbid obesity. This study also examined multiple chronic conditions (MCC; 3 or more health conditions). MCC trends were further examined by sociodemographic factors to identify high‐risk populations. Parallel analyses were performed for participants without a cancer history to provide a reference.ResultsAmong 30,728 cancers survivors, increasing trends were observed in the prevalence of hypertension, diabetes, kidney disease, liver disease, and morbid obesity, whereas decreasing prevalence trends were observed for ischemic heart disease, COPD, and hepatitis. Cancer survivors with MCC increased from 4.7 million in 2002 to 8.1 million in 2018 (the prevalence increased from 43.7% to 46.6%). The increase was more pronounced among survivors aged 18 to 44 years. Among adults without a cancer history, the MCC prevalence also increased, although more slowly than among survivors.ConclusionsThe number of adult cancer survivors in the United States with comorbid illnesses has increased substantially over the past 2 decades. Optimal management of comorbid conditions and aggressive interventions for risk reduction may benefit the cancer survivor population.
A new reliability‐based task scheduling algorithm in cloud computing
Authors: Amini Motlagh Aida , Movaghar Ali , Rahmani Amir Masoud 
Published: October 2021

SummaryIn the last decade, the scale of heterogeneous computing (HC) systems such as heterogeneous cloud computing environments was growing like never before. So network failures are unavoidable in such systems, which affect system reliability. Since the task scheduling algorithm in HC is challenging, we investigate a new reliability‐aware task scheduling algorithm (RATSA) in this paper. RATSA is designed to schedule tasks on directed acyclic graphs (DAGs) by using the shuffled frog‐leaping algorithm (SFLA) and genetic algorithm (GA) as evolutionary algorithms. The population‐based SFLA‐GA is applied to optimize makespan in the RATSA as an NP‐complete problem. Moreover, the proposed algorithm exploits a new heuristic‐based earliest finish time technique for task mapping to virtual machines (VMs) section to decrease the failure rate. Experimental results on random DAGs indicate that RATSA improves some current algorithms in terms of reliability and has acceptable performance in makespan. The results reveal that the RATSA decreases the overall failure rate by 43% compared to some current task scheduling algorithms.