bluuebunny/crossref_metadata_2025_split huggingface dataset:
Structure of an Ultrathin Oxide on Pt3Sn(111) Solved by Machine Learning Enhanced Global Optimization**
Authors: Merte Lindsay R. , Bisbo Malthe Kjær , Sokolović Igor , Setvín Martin , Hagman Benjamin , Shipilin Mikhail , Schmid Michael , Diebold Ulrike , Lundgren Edvin , Hammer Bjørk 
Published: April 2022

AbstractDetermination of the atomic structure of solid surfaces typically depends on comparison of measured properties with simulations based on hypothesized structural models. For simple structures, the models may be guessed, but for more complex structures there is a need for reliable theory‐based search algorithms. So far, such methods have been limited by the combinatorial complexity and computational expense of sufficiently accurate energy estimation for surfaces. However, the introduction of machine learning methods has the potential to change this radically. Here, we demonstrate how an evolutionary algorithm, utilizing machine learning for accelerated energy estimation and diverse population generation, can be used to solve an unknown surface structure—the (4×4) surface oxide on Pt3Sn(111)—based on limited experimental input. The algorithm is efficient and robust, and should be broadly applicable in surface studies, where it can replace manual, intuition based model generation.
Research on application of twisted oval tubes in rod‐baffle heat exchangers
Authors: Zhou Aimin , Liu Yuce , Sun Lijuan 
Published: April 2022

AbstractTo enhance the flow and heat transfer in the shell side of rod‐baffle heat exchangers (RBHXs), twisted oval tubes were proposed to be installed in RBHXs. The shell‐side performance was compared of RBHXs with circular tubes or twisted oval tubes of different structural parameters (ratios of long to short axes R and twisted pitches S). The results show that not all RBHXs with twisted oval tubes of any configuration parameter is better than RBHXs with circular tubes. When the Re is lower, the ratio of long to short axes R is bigger and the twisted pitch S is smaller; RBHXs with twisted oval tubes are more possible to be better than circular tubes. For both heat exchangers, the effects of clamping methods of tubes, one tube by one rod (OTBOR) and one tube within two rods (OTWTR), and baffle distance Lb were studied. The results show that Nu and f of OTBOR are both smaller than OTWTR. The comprehensive performance Nu/f1/3 of OTBOR is 10.65% better than OTWTR for both heat exchangers. With the increase of baffle distance Lb, Nu and f decrease; however, Nu/f1/3 increases by 7.13% and 12.30% for circular tubes and twisted oval tubes, respectively.
Parametrisierte Modellierung für den Einsatz von KI am Beispiel Betonbrückenbau
Authors: Hoop Simon , Tschickardt Thomas , Schmitt Jürgen 
Published: April 2022

AbstractFür die Anwendung digitaler Methoden in der Ausführung bietet sich die Erfassung von Bauwerken oder Bauzuständen mithilfe von Laserscanning (LiDAR) an, um anschließend möglichst automatisiert Bauteile zu erkennen und für Baufortschrittskontrollen auszuwerten (Scan to BIM). Für die Bauteilerkennung eignen sich Methoden des Machine Learning, die für verschiedene Klassifikationsprobleme eingesetzt werden. Ein baupraktisches Klassifikationsproblem ist die semantische Segmentierung von Punktwolken, bei der einzelne Punkte bestimmten Bauteilklassen zugeordnet werden. Damit die Klassifikationsaufgaben mit ausreichender Genauigkeit gelöst werden, wird eine große Anzahl an Trainingsdaten benötigt. Im Beitrag werden synthetische Daten für das Training eines künstlich neuronalen Netzwerks (engl. Convolutional Neural Network CNN) hochparametrisiert und vollautomatisch bereitgestellt. Es wird eine Vorgehensweise für die Erstellung von Brückenmodellvariationen auf Grundlage der visuellen Programmierschnittstelle Dynamo in Autodesk Revit vorgeschlagen. Zu Beginn werden nationale Richtlinien für die Definition von Parametern evaluiert, um anschließend diese Parameter in adaptiven Vorlagen des parametrisierten Querschnitts des Überbaus zu verwenden. Der Unterbau wird analog in verschiedenen Vorlagen bereitgestellt. Diese werden entlang der Trassierung in verschiedenen Ausführungen platziert. Jedem Objekt werden Merkmale angehängt und beim Export im herstellerneutralen Datenformat IFC in eine Merkmalstruktur gruppiert. Mit dieser Vorgehensweise ergaben sich zahlreiche Variationen von Brückenmodellen, insbesondere auch Bauzwischenzustände, die für die semantische Segmentierung von Punktwolken und das Training eines CNN herangezogen werden können.
Examining the accuracy of lay beliefs about the effects of personality on prosocial behavior
Authors: Stavrova Olga , Evans Anthony M. , Sleegers Willem , van Beest Ilja 
Published: April 2022

AbstractPrior research on personality and prosocial behavior has focused on actor‐level effects of personality by examining which personality traits predict individuals' prosocial behavior. But do lay people take into account others' personality when making predictions of others' future prosocial behavior? The present research was designed to answer this question. We focused on two interpersonal traits from the Big Five model, agreeableness and extraversion, and examined whether people have accurate lay beliefs about the effects of these traits on prosocial behavior. The results of four studies showed that participants consistently attributed agreeableness (and to a lesser extent, extraversion) a greater role in predicting others' prosocial behavior compared with the role that it plays in reality. Results were consistent in studies of zero‐acquaintance interactions and close relationships and when people predicted both single instances and aggregated measures of others' prosocial behavior. Our results did not depend on participants' awareness of research hypotheses and persisted even when they were explicitly warned that the information about others' personality might not be accurate. These findings inform the literature on social perception and stereotype accuracy and contribute to our understanding of how people make future‐oriented predictions of others' behavior.
Parental expectations of children’s higher education participation in Australia
Authors: Dockery Alfred M. , Koshy Paul , Li Ian W. 
Published: April 2022

AbstractThe role of parental expectations in determining children's higher education participation is important in understanding both participation and potential policy responses. Using a nationally representative longitudinal survey of Australian households, providing repeat observations on expectations for individual children, this study extends the literature in several respects. First, it examines the adaptation of parental expectations over a 4‐year time frame. Second, it looks at how parental expectations for school children are associated with actual higher education outcomes in the future. Third, the longitudinal aspect of the dataset permits more robust analyses of factors that shape parental expectations. The findings indicate that parental expectations of their children's attendance at university are generally stable across time. Perceptions of children's academic achievement at school are shown to be the key influence in shaping parents' expectations, and behavioural issues at school adversely affect expectations. Australian parents from non‐English‐speaking backgrounds were more likely to form positive expectations of university participation by their children, consistent with studies from other countries. A more nuanced picture of the formation of expectations for sole‐parent mothers is also presented. Positive effects of parental education and children's enrolment in a private school on parents' expectations, over and above any effect on school achievement, highlight these socioeconomic factors as potential causal channels for the intergenerational transmission of socioeconomic outcomes.
Knockout of Sf‐Caspase‐1 generates apoptosis‐resistant Sf9 cell lines: Implications for baculovirus expression
Authors: de Malmanche Henry , Marcellin Esteban , Reid Steven 
Published: April 2022

AbstractThe Sf9 cell line, originally isolated from the insect Spodoptera frugiperda, is commonly used alongside the baculovirus expression vector system (BEVS) to produce recombinant proteins and other biologics. As more BEVS‐derived vaccines and therapeutics are approved by regulators and manufactured at scale, there is increasing interest in improving the Sf9 cell line to improve bioprocess robustness and increase product yields. CRISPR‐Cas9 is a powerful genome‐editing tool with great potential to improve cell line characteristics. Nevertheless, reports of genome‐editing in Sf9 cells are scarce, and targets for engineering are elusive. To evaluate the effectiveness of CRISPR‐Cas9 to improve BEVS yields, we generated Sf9 cell lines with functional knockouts in the Sf‐Caspase‐1 gene, which encodes an effector caspase involved in the execution of apoptosis. Deletion of Sf‐Caspase‐1 abolished the hallmarks of apoptotic cell death including plasma membrane blebbing and effector caspase activity. Following infection of Sf‐Caspase‐1 knockout Sf9 cultures with a recombinant baculovirus expressing β‐galactosidase, we did not observe any differences in cell death kinetics or increases in productivity. Similar results were obtained when Sf‐Caspase‐1 expression was suppressed via RNA interference. We anticipate that the CRISPR‐Cas9 workflow reported here will spur future efforts to rationally engineer Sf9 cells for improved baculovirus expression.
Efficient immobilized phospholipase A1 on Mo‐basing nanomaterials for enzymatic degumming
Authors: Wang Duanhao , Guo Meijing , Li Jiachen , Li Binglin , Wang Jiao 
Published: April 2022

AbstractSix kinds of Mo‐basing nanomaterials (MoO3, MoO3@Ru, Mo‐PDA, MoPC, MoP, CNT@MoS2) were successfully synthesized, which were employed as carriers to immobilize phospholipase A1 (PLA1) for the hydrolysis of phospholipids (PLs). PLA1 was immobilized by a simple adsorption‐precipitation‐cross‐linking to form an “enzyme net” covering on nanoparticles. The greatest advantage of these nanoparticles was their strong hydrophilic surface. It not only permitted their dispersion in the aqueous phase, but also showed the strong affinity for PLs in the organic phase, because amphiphilic PLs had the polar head group and higher hydrophilicity than other oils components. Michaelis–Menten analysis revealed that higher catalytic activity and enzyme−substrate affinity were observed in several immobilized PLA1 than its free form. MoO3 was confirmed to be the best candidate for carrier. The highest specific activity of MoO3‐immobilized PLA1 reached 43.1 U/mg, which was about 1.8 times higher than that of free PLA1 (24.4 U/mg). In addition, the stability and recycling were also enhanced. The robust immobilized PLA1 was prepared in this work, showing great potential for the enzymatic degumming.
Exploration of adverse patterns of placement of young people in secure care: The unwanted child?
Authors: Smith Jared G. , Bartlett Annie , Hales Heidi 
Published: April 2022

AbstractBackgroundEmerging evidence suggests that distant placements and multiple moves may be detrimental to young people in care settings. Less is known about the characteristics of young people in secure care most affected by these processes.AimsThis study examined distance from home and number of previous placements in English young people detained in secure care and their relationships with organisational and individual characteristics.MethodsData were derived from the (2016) cross‐sectional National Adolescent Study census of English young people in secure care, which included 1322 young people across secure mental health, welfare and Youth Justice establishments. Associations were described with odds ratios/95% confidence intervals (OR/CI).ResultsOverall, 285 young people (26.4%) were in secure placements over 100 miles from their family/local authority while 54 (5.6%) had 10 or more previous placements. These rates were higher in secure welfare than other settings (73.8%; OR (CI) = 9.62 (5.72, 16.18), 12.7%; OR (CI) = 2.76 (1.29, 5.91) respectively), and there was significant overlap between long‐distance placement and multiple placements (n = 22; OR (CI) = 2.26 (1.27, 4.04)). Younger age and presence of neurodevelopmental disorder were also associated with long‐distance placements while psychiatric diagnosis, previous secure placement, and previous service contact were linked to multiple placements.ConclusionsDistant and/or multiple placements in young people in secure care appear common, particularly for those who are placed in secure welfare and who are younger and/or present with a psychiatric disorder. Multi‐agency evaluations that capture the longitudinal experience of these vulnerable young people are needed to understand how undesirable patterns of placement in secure care occur and prevent future instances.
Adolescents with chronic hepatitis C might be good candidates for direct‐acting antiviral therapy
Authors: Sato Ken , Yamazaki Yuichi , Kanayama Yuki , Uehara Daisuke , Tojima Hiroki , Suga Takayoshi , Kakizaki Satoru , Sohara Naondo , Horiguchi Norio , Uraoka Toshio 
Published: April 2022

AbstractThree Japanese adolescents with chronic hepatitis C were treated by direct‐acting antivirals (DAAs). No adverse events or laboratory abnormalities were observed during and after DAA therapy, and a sustained virological response was achieved in all cases. The emotional functioning of the patients and their mothers were improved after DAA therapy.
Photodistributed pustular acute febrile neutrophilic dermatosis revealing an acute myeloid leukemia
Authors: Saad Sarra , Korbi Mouna , Ben Abdeljelil Nouha , Rakez Rim , Belhadjali Hichem , Laatiri Mohamed Adnene , Zili Jameleddine 
Published: April 2022

AbstractSweet syndrome is a rare inflammatory dermatosis that can be associated with various diseases, including leukemias. Physicians should be aware that a photodistributed clinical presentation of a pustular SS may reveal underlying malignancies, particularly hemopathies. If the hemopathy is known, recurrence lesions should be suspected of a relapse.
pH Switchable Water Dispersed Photocatalytic Nanoparticles
Authors: Guernelli Moreno , Menichetti Arianna , Guidetti Gloria , Costantini Paolo Emidio , Calvaresi Matteo , Danielli Alberto , Mazzaro Raffaello , Morandi Vittorio , Montalti Marco 
Published: April 2022

AbstractPhotogeneration of Reactive Oxygen Species (ROS) finds applications in fields as different as nanomedicine, art preservation, air and water depollution and surface decontamination. Here we present photocatalytic nanoparticles (NP) that are active only at acidic pH while they do not show relevant ROS photo‐generation at neutral pH. This dual responsivity (to light and pH) is achieved by stabilizing the surface of TiO2 NP with a specific organic shell during the synthesis and it is peculiar of the achieved core shell‐structure, as demonstrated by comparison with commercial photocatalytic TiO2 NP. For the investigation of the photocatalytic activity, we developed two methods that allow real time detection of the process preventing any kind of artifact arising from post‐treatments and delayed analysis. The reversibility of the pH response was also demonstrated as well as the selective photo‐killing of cancer cells at acidic pH.
Auswirkungen eines erhöhten Wassergehalts auf lösliche Staubkuchenbestandteile in der Oberflächenfiltration – Teil 1: Theoretische Betrachtungen
Authors: Schwarz Almuth D. , Horst David , Meyer Jörg , Zhang Qian , Dittler Achim , Schmidt Eberhard 
Published: April 2022

AbstractIn der Oberflächenfiltration sind die Einflüsse der Prozessbedingungen auf die abgeschiedenen Partikeln von großer Bedeutung. Dazu gehören z. B. Temperatur und Zusammensetzung des Trägergases. Zwei unterschiedliche Erscheinungsformen von Wasser im Trägergas und ihre Auswirkungen auf lösliche Bestandteile im Filterkuchen werden gegenübergestellt. In diesem ersten Teil einer zweiteiligen Arbeit werden zunächst die Grundlagen und ersten Erkenntnisse theoretisch betrachtet. Der Einfluss von erhöhter relativer Feuchte auf die Haftkräfte von löslichen und unlöslichen Partikeln einerseits und von erhöhtem Wassergehalt in Form von Wassertropfen auf den Stofftransport löslicher Partikeln andererseits wird erörtert. Die vielseitigen möglichen Auswirkungen auf das Betriebsverhalten von Oberflächenfiltern durch Wasser und lösliche Partikeln werden aufgezeigt.
Anthropometric factors and the risk of ovarian cancer: A systematic review and meta‐analysis
Authors: Ellwanger Bernadette , Schüler‐Toprak Susanne , Jochem Carmen , Leitzmann Michael F. , Baurecht Hansjörg 
Published: April 2022

AbstractBackgroundExcess weight is convincingly associated with several cancers, but the association with ovarian cancer is insufficiently clarified, in particular regarding subgroups defined by menopausal status and ovarian cancer histologic type.AimsWe carried out a comprehensive systematic review and meta‐analysis of overweight and obesity in relation to ovarian cancer with focus on different subgroups.Methods and ResultsWe searched PubMed and Web of Science for relevant cohort and case–control studies published from inception to June 2021 in English language and using a clear definition of overweight and obesity. We combined maximally adjusted risk estimates using a random effects model. We analyzed data from 15 cohort and 26 case–control studies, including 28 471 ovarian cancer cases. The relative risk of ovarian cancer for overweight and obesity was 1.06 (95% confidence interval [CI] = 1.00–1.12) and 1.19 (95% CI = 1.11–1.28), respectively. Among premenopausal women, increased ovarian cancer risk was noted for overweight (RR 1.34; 95% CI = 1.03–1.75) and obesity (RR 1.51; 95% CI = 1.21–1.88). By comparison, among postmenopausal women no statistically significant association was found for overweight (RR 1.00; 95% CI 0.87–1.14) and obesity (RR1.03; 95% CI = 0.82–1.31). Increased risk was found for mucinous (RR 1.44; 95% CI = 1.03–2.01) and clear cell (RR 1.82; 95% CI = 1.11–2.99) ovarian cancer subtypes, but not for serous (RR1.12; 95% CI = 0.84–1.50;) and endometroid subtypes (RR1.24; 95% CI =0.96–1.60).ConclusionsObesity is associated with increased ovarian cancer risk. That relation is largely due to a positive association between adiposity and ovarian cancer among premenopausal but not postmenopausal women and among cases with mucinous and clear cell but not serous or endometrioid histology.
Online Prediction with History‐Dependent Experts: The General Case
Authors: Drenska Nadejda , Calder Jeff 
Published: April 2022

AbstractWe study the problem of prediction of binary sequences with expert advice in the online setting, which is a classic example of online machine learning. We interpret the binary sequence as the price history of a stock, and view the predictor as an investor, which converts the problem into a stock prediction problem. In this framework, an investor, who predicts the daily movements of a stock, and an adversarial market, who controls the stock, play against each other over N turns. The investor combines the predictions of experts in order to make a decision about how much to invest at each turn, and aims to minimize their regret with respect to the best‐performing expert at the end of the game. We consider the problem with history‐dependent experts, in which each expert uses the previous d days of history of the market in making their predictions. We prove that the value function for this game, rescaled appropriately, converges as at a rate of to the viscosity solution of a nonlinear degenerate elliptic PDE, which can be understood as the Hamilton‐Jacobi‐Issacs equation for the two‐person game. As a result, we are able to deduce asymptotically optimal strategies for the investor. Our results extend those established by the first author and R.V. Kohn [14] for experts and days of history. © 2022 The Authors. Communications on Pure and Applied Mathematics published by Wiley Periodicals LLC.
PixJS: A novel chaos‐based approach for image encryption
Authors: Tuli Rohan , Soneji Hitesh , Vahora Sahil , Churi Prathamesh , Bangalore Nagachetan M. 
Published: April 2022

AbstractImage encryption has variety of applications in the healthcare, military, e‐commerce, and education sectors. Along with processing images for various applications, secure storage of such images is essential. For many years, encryption of images is a fruitful method for the secure transmission of multimedia data that carries sensitive information across multiple mediums. There is umpteen number of image encryption methods available which exhibit improved performance either in time, space, or susceptance to attacks in a controlled environment. Few image encryption algorithms have higher computational complexity, whereas some are immune to a handful of attacks (either differential, statistical, brute force, or known‐plaintext and chosen‐plain text attacks). We have developed a novel chaos‐based image encryption algorithm—PixJS for 8‐bit grayscale images based on linear feedback shift register, logistic map, and jumbling process. The algorithm was initially proposed for the text‐based passwords called as jumbling‐salting algorithm in 2014. We conducted a comprehensive analysis of the proposed algorithm on sets of symmetric and asymmetric images (10 samples each) and addressed four research questions primarily based on speed and security parameters. After conducting thorough experimentation, we found that our algorithm outperformed existing algorithms in security and has proven to be resistant to statistical, differential, brute‐force, known plain text, and chosen plain text attacks.
Physiologically‐Based Pharmacokinetic Modelling to Investigate Baricitinib and Tofacitinib Dosing Recommendations for COVID‐19 in Geriatrics
Authors: Wang Ziteng , Chan Eric Chun Yong 
Published: April 2022

Janus kinase (JAK) inhibitors baricitinib and tofacitinib are recommended by the US National Institutes of Health as immunomodulatory drugs for coronavirus disease 2019 (COVID‐19) treatment. In addition, baricitinib has recently received Emergency Use Authorization from the US Food and Drug Administration, although the instruction provided dosing information only for adults. Geriatrics with organ dysfunction are one of the most vulnerable cohorts when combating the pandemic. The aim of the present work was to evaluate current dosing strategies of baricitinib and tofacitinib for potential COVID‐19 treatment for White and Chinese geriatric patients with chronic renal impairment. An established physiologically‐based pharmacokinetic (PBPK) modeling framework for age‐dependent simulations was utilized. PBPK drug models adopted from literature were first verified. Several population models representing different age groups, ethnicities, and stages of renal impairment were used for prospective simulations. Notwithstanding the increase in systemic exposure of both drugs resulting from renal dysfunction was more pronounced for geriatrics than general White populations, our simulations confirmed their current dosage adjustments based on renal functions are broadly adequate. The exception being White older subjects with mild renal impairment where current recommendation of 4 mg baricitinib yielded a 2.31‐fold increase in systemic exposure, and reduction to 2 mg could mitigate the potential risk to an acceptable 1.15‐fold. Comparable relationships between systemic exposure and renal dysfunction were observed for both drugs in the Chinese population. In summary, PBPK modeling of both JAK inhibitors supports the rational and prudent dose adjustments of these COVID‐19 therapeutics among adult patients of different age groups and renal functions.