bluuebunny/crossref_metadata_2025_split huggingface dataset:
Heterogeneous catalytic oxidation of chromotrope 2B with H2O2 and metal complexes supported on aluminum oxide hydroxide as catalyst
Authors: El‐Ghobashy Marwa A. , Salem Ibrahim A. , Abdel‐Rahman Sahar R. , Salem Mohamed A. 
Published: October 2022

AbstractThe heterogeneous catalytic oxidation of Chromotrope 2B (C2B) dye with H2O2 and the aluminum oxide hydroxide (AlOOH) modified with ammonia complexes of CuII, CoII, NiII, and CrIII (AlOOH/[Mn+(amm)m]) as catalysts were studied. The AlOOH/[CuII(amm)4] is the most efficient catalyst and therefore it was chosen as the potential catalyst for the oxidative degradation of C2B in an aqueous solution. The AlOOH/[CuII(amm)4] was characterized by Fourier transform infrared spectroscopy (FTIR), X‐ray diffraction (XRD), scanning electron microscopy (SEM), energy‐dispersive X‐ray (EDX), and transmission electron microscopy (TEM), techniques. The rate of reaction was dependent on the type of the metal complex supported on the AlOOH, initial concentration of the dye and H2O2, catalyst dose, pH, the concentration of NaCl, and temperature. The catalytic activity of the AlOOH/[Mn+(amm)m] according to the kind of metal ion decreased in the order: CuII > CoII > CrIII > NiII. Other catalysts consisting of the AlOOH supported with CuII complexed with ethylenediamine, ethanolamine, 1,3 propanediamine, and 1,4 butanediamine, (AlOOH/[CuII(amine)m]), were also investigated. The activity of the (AlOOH/[CuII(amine)m]) as catalyst according to the type of ligand followed the order: 1,4 butanediamine > 1,3 propanediamine > ethanolamine > ethylenediamine > ammonia. The reaction rate increased with increasing the catalyst dose, concentration of H2O2, C2B, and NaCl, pH, and temperature. Since the reusability results for the AlOOH/[CuII(amm)4] revealed good stability over seven cycles, it can thus be considered a promising and cost‐effective catalyst for the removal of harmful dyes from wastewater.
Ambulatory Detection of Isolated Rapid‐Eye‐Movement Sleep Behavior Disorder Combining Actigraphy and Questionnaire
Authors: Brink‐Kjaer Andreas , Gupta Niraj , Marin Eric , Zitser Jennifer , Sum‐Ping Oliver , Hekmat Anahid , Bueno Flavia , Cahuas Ana , Langston James , Jennum Poul , Sorensen Helge B.D. , Mignot Emmanuel , During Emmanuel 
Published: October 2022

AbstractBackgroundIsolated rapid‐eye‐movement sleep behavior disorder (iRBD) is in most cases a prodrome of neurodegenerative synucleinopathies, affecting 1% to 2% of middle‐aged and older adults; however, accurate ambulatory diagnostic methods are not available. Questionnaires lack specificity in nonclinical populations. Wrist actigraphy can detect characteristic features in individuals with RBD; however, high‐frequency actigraphy has been rarely used.ObjectiveThe aim was to develop a machine learning classifier using high‐frequency (1‐second resolution) actigraphy and a short patient survey for detecting iRBD with high accuracy and precision.MethodsThe method involved analysis of home actigraphy data (for seven nights and more) and a nine‐item questionnaire (RBD Innsbruck inventory and three synucleinopathy prodromes of subjective hyposmia, constipation, and orthostatic dizziness) in a data set comprising 42 patients with iRBD, 21 sleep clinic patients with other sleep disorders, and 21 community controls.ResultsThe actigraphy classifier achieved 95.2% (95% confidence interval [CI]: 88.3–98.7) sensitivity and 90.9% (95% CI: 82.1–95.8) precision. The questionnaire classifier achieved 90.6% accuracy and 92.7% precision, exceeding the performance of the Innsbruck RBD Inventory and prodromal questionnaire alone. Concordant predictions between actigraphy and questionnaire reached a specificity and precision of 100% (95% CI: 95.7–100.0) with 88.1% sensitivity (95% CI: 79.2–94.1) and outperformed any combination of actigraphy and a single question on RBD or prodromal symptoms.ConclusionsActigraphy detected iRBD with high accuracy in a mixed clinical and community cohort. This cost‐effective fully remote procedure can be used to diagnose iRBD in specialty outpatient settings and has potential for large‐scale screening of iRBD in the general population. © 2022 The Authors. Movement Disorders published by Wiley Periodicals LLC on behalf of International Parkinson and Movement Disorder Society.
A semi‐monolithic detector providing intrinsic DOI‐encoding and sub‐200 ps CRT TOF‐capabilities for clinical PET applications
Authors: Mueller Florian , Naunheim Stephan , Kuhl Yannick , Schug David , Solf Torsten , Schulz Volkmar 
Published: October 2022

AbstractBackgroundCurrent clinical positron emission tomography (PET) systems utilize detectors where the scintillator typically contains single elements of 3–6‐mm width and about 20‐mm height. While providing good time‐of‐flight performance, this design limits the spatial resolution and causes radial astigmatism as the depth‐of‐interaction (DOI) remains unknown.PurposeWe propose an alternative, aiming to combine the advantages of current detectors with the DOI capabilities shown for monolithic concepts, based on semi‐monolithic scintillators (slabs). Here, the optical photons spread along one dimension enabling DOI‐encoding with a still small readout area beneficial for timing performance.MethodsAn array of eight monolithic LYSO slabs of dimensions 3.9 × 32 × 19 mm3 was read out by a 64‐channel photosensor containing digital SiPMs (DPC3200‐22‐44, Philips Digital Photon Counting). The position estimation in the detector's monolithic and DOI direction was based on a calibration with a fan beam collimator and the machine learning technique gradient tree boosting (GTB).ResultsWe achieved a positioning performance in terms of mean absolute error (MAE) of 1.44 mm for the monolithic direction and 2.12 mm for DOI considering a wide energy window of 300–700 keV. The energy resolution was determined to be 11.3%, applying a positional‐dependent energy calibration.We established both an analytical and machine‐learning‐based timing calibration approach and applied them for a first‐photon trigger. The analytical timing calibration corrects for electronic and optical time skews leading to 240 ps coincidence resolving time (CRT) for a pair of slab‐detectors. The CRT was significantly improved by utilizing GTB to predict the time difference based on specific training data and applied on top of the analytical calibration. We achieved 209 ps for the wide energy window and 198 ps for a narrow selection around the photopeak (411–561 keV). To maintain the detector's sensitivity, no filters were applied to the data during processing.ConclusionOverall, the semi‐monolithic detector provides attractive performance characteristics. Especially, a good CRT can be achieved while introducing DOI capabilities to the detector, making the concept suitable for clinical PET scanners.
Demonstration of pH imaging in acute stroke with endogenous ratiometric chemical exchange saturation transfer magnetic resonance imaging at 2 ppm
Authors: Wu Yin , Sun Phillip Zhe 
Published: October 2022

AbstractpH change is often considered a hallmark of metabolic disruption in diseases such as ischemic stroke and cancer. Chemical exchange saturation transfer (CEST) MRI, particularly amide proton transfer (APT), has emerged as a noninvasive pH imaging approach. However, there are changes in multipool CEST effects besides APT MRI. Our study investigated radiofrequency (RF) amplitude‐based ratiometric CEST pH imaging in acute stroke. Briefly, adult male Wistar rats underwent CEST MRI under two RF saturation (B1) levels of 0.75 and 1.5 μT following middle cerebral artery occlusion. Magnetization transfer (MT), direct water saturation, CEST at 2 ppm (CEST@2 ppm), amine (2.75 ppm), and APT (3.5 ppm) effects were resolved with the multipool Lorentzian fitting approach. The ratiometric analysis was measured in the ischemic lesion and the contralateral normal area, which was also correlated with pH‐specific MT and the relaxation normalized APT (MRAPT) index. MT, amine CEST effect, and their respective ratiometric indices did not show significant changes in ischemic regions (p > 0.05), as expected. Whereas APT decreased in the ischemic lesion for B1 of 1.5 μT (p < 0.01), the correlation between the amide ratio with MRAPT index was moderate (r = 0.52, p = 0.02). By comparison, the ischemic tissue showed a significantly increased CEST@2 ppm for both saturation levels from the contralateral normal area (p ≤ 0.01). Importantly, the CEST@2 ppm ratio decreased in the ischemic lesion (p < 0.01), which highly correlated with the MRAPT index (r = 0.93, p < 0.001). To summarize, our study demonstrated the feasibility of endogenous CEST@2 ppm ratiometric imaging of pH upon acute stroke, promising to detect pH changes in metabolic diseases.
High lamb natural mortality versus specialized culling at Bangga on the southern Tibetan Plateau 3000 BP
Authors: Zhang Zhengwei , Xu Hailun , Wangdue Shargan , Gao Xuan , Lü Hongliang , Liu Xinyi , Marshall Fiona 
Published: October 2022

AbstractPastoralism has a long history on the high‐elevation Tibetan Plateau. However, the specific risks faced by early flocks on the plateau and ways that herders managed their animals have not been well explored. Dated to the third millennium BP, the archeological settlement of Bangga represents an early agro‐pastoral community at 3800 m above sea level (m a.s.l.) and a rare opportunity to examine these issues. Mortality profiles have been a powerful tool for reconstructing livestock herding strategies from archeological sites globally. Here, we used dental eruption and wear to reconstruct sheep mortality profiles from Bangga. To contextualize regional archeological data, we also simulated sheep natural mortality levels using flock culling profiles and die off data for recent Tibetan flocks. Mortality profiles from Bangga revealed that 64.28% (N = 42) of the sheep died within the first year of their life. This profile was consistent with Payne's Anatolian models for specialized management for milk. Simulations revealed that the same profile might be the product of low culling levels and high natural lamb death rates. In this high elevation, high‐risk pastoral setting, specialization was a less probable interpretation than environmentally driven lamb mortality. Evidence for corralling at Bangga pointed to specific ancient disease and nutritional risks associated with periodic confinement and lack of access to pasture. Our findings indicate that high juvenile mortality presented a threat for ancient sheep herders who suffered serious environmental pressures on the Tibetan Plateau. Ethnographically grounded mortality simulations have utility for consideration of equifinality between culling and die off profiles constituting a global challenge in zooarcheological research.
Root and root canal diversity in human permanent maxillary first premolars and first molars in inhabitants from the ancient Middle Euphrates Valley (Syria)
Authors: Przesmycka Agata , Tomczyk Jacek , Zalewska Marta , Regulski Piotr 
Published: October 2022

AbstractThe morphological and anatomical structure of the roots and root canals of human dentition is very diverse. This means that tooth morphology can effectively differentiate populations and be used in both contemporary and historical research populations. The aim of the study was to investigate whether historical populations from the Middle East showed variation in the number of tooth roots and the morphology of canal systems.The tooth material used for the research was obtained from three sites: Terqa, Tell Masaikh, and Jabel Mashtale (Syria) during archaeological expeditions. The odontological material has been divided into three historical periods: Bronze (2,650–1700 BC), late Roman (200–500 AD) with Islamic (600–1,200 AD), and Modern (1850–1950 AD). The teeth of 31 individuals of both sexes were collected for analysis, with a total of 73 teeth examined. The subjects underwent cone‐beam computed tomography (CBCT) analysis.The greatest variation in the number of roots and root canal configurations occurred in the Late Roman and Islamic periods. In addition to the typical number of tooth roots and their characteristic root canal configurations, the presence of less typical morphological forms was noticed in each type of tooth analyzed during this period. This may indicate the influx of new genes and their mixing with local ones, which was reflected in the morphological variability.The presented studies, although they must be continued, already indicate that the analysis of root and canal variability broadens the spectrum of odontological studies conducted on historical populations.
Design and simulation verification of clamping instrument with active variable stiffness for pelvic fracture reduction
Authors: Chen Xinyi , Lei Jingtao , Cai Shenyang , Peng Ye 
Published: October 2022

AbstractBackgroundDuring the robot‐assisted pelvic fracture reduction process, the clamping instrument are subjected to the large reduction force from the robot, resulting in inevitable great stress concentration and deformation of the bone pins, affecting the fracture reduction accuracy.MethodA compact and easily‐to‐adjust clamping instrument with active variable stiffness is designed. The relationship between the component's elongation and the clamping instrument's deformation and stiffness is derived and calculated. Furthermore, the finite element model of the fixed and the variable stiffness clamping instruments connecting with the injured pelvic musculoskeletal tissue is developed, respectively.ResultsApplying the same reduction force, the deformation of the clamping instrument with variable stiffness is reduced, especially in the elongated state. Moreover, the new clamping instrument meets the strength requirements and makes a better stress distribution.ConclusionThe clamping instrument can achieve stiffness adjustment during the reduction process and will be used for improving the surgery accuracy.
In pursuit of diversification opportunities, efficiency, and revenue diversification: A generalization and extension for social entrepreneurship
Authors: Yan Jiaju , Mmbaga Nick , Gras David 
Published: October 2022

AbstractResearch SummaryOur study generalizes and extends a cumulative body of research on diversification into the contexts of social entrepreneurship. We examine the extent to which internationalization and program diversification affect a coveted, yet understudied, outcome for social organizations—revenue diversification—and investigate efficiency as a boundary condition of those relationships. Our longitudinal analyses, based on roughly 53,000 observations of Canadian nonprofits that engage in social entrepreneurship, indicate that program diversification is positively related to nonprofits' revenue diversification, but internationalization is not. Further, we found that efficiency compliments these relationships. Our findings are partially in line with research from the for‐profit literature, but also extend this line of research by suggesting that different types of diversification are associated with revenue diversification in the context of social entrepreneurship.Managerial SummaryFounders, executives, and managers of social organizations often strategically design and implement programs and internationalization strategies to achieve better organizational outcomes. Our results reveal that pursuing program diversification opportunities are related to revenue diversification and that highly efficient nonprofits are more likely to increase their revenue diversification as they pursue more program diversification and internationalization opportunities. Social entrepreneurs and their organizations may therefore learn from, build upon, and to some degree tailor theories and strategies of for‐profit organizations to better serve their social and environmental mission and ensure long‐term financial stability.
Plasma Functionalized CNT/Cyanate Ester Nanocomposites for Aerospace Structural Applications
Authors: John Varsha Lisa , Gomathi N. , Joseph K. , Mathew Dona , Chandran Satheesh M , Neogi S. 
Published: October 2022

AbstractAtmospheric pressure (AP) plasma treatment, a proven direct and dry means of surface modification, was deployed for the functionalization of carbon nanotube (CNT). AP plasma treatment successfully incorporated the functional groups such as −COOH and ‐NH2 onto the surface of CNT without affecting its crystallinity. Reduction in tube diameter and increased purity through the removal of amorphous carbon were confirmed by transmission electron microscopy (TEM) and Raman analysis. As a result of these surface chemistry and morphological changes induced by AP plasma treatment, the modified CNT‐cyanate ester nanocomposite exhibited enhanced dispersion via reduced van‐der Walls interaction. At optimum concentration of 0.1 wt% loading, the functionalized CNT with its high aspect ratio showed a well wetting behavior with cyanate ester (BADCy) matrix leading to remarkable increase in the mechanical properties like tensile, impact and flexural strengths and thus rendering them for potential aerospace structural applications.
Detecting functional and security‐related issues in smart contracts: A systematic literature review
Authors: Piantadosi Valentina , Rosa Giovanni , Placella Davide , Scalabrino Simone , Oliveto Rocco 
Published: October 2022

AbstractBlockchain is a platform of distributed elaboration, which allows users to provide software for a huge range of next‐generation decentralized applications without involving reliable third parties. Smart contracts (SCs) are an important component in blockchain applications: they are programmatic agreements among two or more parties that cannot be rescinded. Furthermore, SCs have an important characteristic: they allow users to implement reliable transactions without involving third parties. However, the advantages of SCs have a price. Like any program, SCs can contain bugs, some of which may also constitute security threats. Writing correct and secure SCs can be extremely difficult because, once deployed, they cannot be modified. Although SCs have been recently introduced, a large number of approaches have been proposed to find bugs and vulnerabilities in SCs. In this article, we present a systematic literature review on the approaches for the automated detection of bugs and vulnerabilities in SCs. We survey 68 papers published between 2015 and 2020, and we annotate each paper according to our classification framework to provide quantitative results and find possible areas not explored yet. Finally, we identify the open problems in this research field to provide possible directions to future researchers.
Effects of sectional kinematic constraints in fiber element formulations on the load‐deformation response of reinforced concrete elements
Authors: Lamawansa Yasas , Hippola Sameera , Wijesundara Kushan Kalmith 
Published: October 2022

AbstractDeveloping numerical tools for reinforced concrete elements accounting for the axial–flexure–shear interaction is important as their brittle failures may lead to a complete collapse of structures. Among the different numerical tools available, fiber element formulations are enforced with kinematic constraints for the sectional strain fields. This study aims to investigate the impact of such kinematic constraints in fiber element formulations towards the response of reinforced concrete elements. A series of beams selected from literature was analyzed using available numerical tools, and the global and local responses were compared. In the postcracking branch, the fiber element formulations result in an underestimation of the shear strain distribution in the tensile zone which leads to an overprediction of the postcracking stiffness. In addition, the load carrying capacity and failure mode predictions of the fiber element formulations were proved to be accurate despite the underestimation of shear strains in the tensile zone.
Genome‐wide association analysis identified consistent QTL for seed yield in a soybean diversity panel tested across multiple environments
Authors: Ayalew Habtamu , Schapaugh William , Vuong Tri , Nguyen Henry T. 
Published: October 2022

AbstractImproving seed yield is one of the main targets of soybean [Glycine max (L.) Merr.] breeding. Identification of loci that influence productivity and understanding their genetic mechanism will help marker‐assisted trait introgression. The present study evaluated a diverse panel of 541 soybean genotypes consisting of three maturity groups (MGs III–V) in four environments in Kansas, U.S. Data on seed yield, seed weight, shattering resistance, days to maturity, and plant height showed significant genotype, environmental, and genotype × environment interaction variations. Seed yield and shattering had moderate broad‐sense heritability (<85%), while the rest of the traits showed high broad‐sense heritability (>90%). The SoySNP50K iSelect BeadChip dataset was used to identify significantly associated loci via genome‐wide association studies (GWAS). A total of 19 single‐nucleotide polymorphisms (SNPs) were significantly associated with seed yield. Particularly, two stable seed yield quantitative trait loci (QTL) on chromosomes 9 and 17 were consistently detected in at least three out of four environments. Candidate gene analysis surrounding seed yield QTL on chromosome 9 showed that Glyma.09G048900, an oxygen binding protein, was the closest to the QTL peak. Similarly, Glyma.17G090200 and Glyma.17G090400 were within 20‐kb region of the seed yield QTL on chromosome 17. The candidate genes warrant further analysis to determine their functional mechanisms and develop markers for seed yield improvement.
Chemical transformations and transport phenomena at interfaces
Authors: Hao Hongxia , Ruiz Pestana Luis , Qian Jin , Liu Meili , Xu Qiang , Head‐Gordon Teresa 
Published: October 2022

AbstractInterfaces, the boundary that separates two or more chemical compositions and/or phases of matter, alters basic chemical and physical properties including the thermodynamics of selectivity, transition states, and pathways of chemical reactions, nucleation events and phase growth, and kinetic barriers and mechanisms for mass transport and heat transport. While progress has been made in advancing more interface‐sensitive experimental approaches, their interpretation requires new theoretical methods and models that in turn can further elaborate on the microscopic physics that make interfacial chemistry so unique compared to the bulk phase. In this review, we describe some of the most recent theoretical efforts in modeling interfaces, and what has been learned about the transport and chemical transformations that occur at the air–liquid and solid–liquid interfaces.This article is categorized under:
Structure and Mechanism > Reaction Mechanisms and Catalysis
Structure and Mechanism > Computational Materials Science
Software > Quantum Chemistry
Software > Simulation Methods
Introduction
Authors: Baxter Janeen , Lam Jack , Lee Rennie , Povey Jenny , Zubrick Stephen R. 
Published: October 2022

AbstractIn this chapter we present the research questions motivating the book and outline key themes and issues guiding the chapters. We provide a broad overview of the Australian social, political and economic context to give readers an understanding of some of the key features of Australian society. We outline the structure of the book and present a brief synopsis of each chapter.