bluuebunny/crossref_metadata_2025_split huggingface dataset:
Luces, sombras y retos del profesorado entorno a la gamificación apoyada en TIC: un estudio con maestros en formación
Authors: Romero Rodrigo Mercedes , López Marí María 
Published: April 2021

El presente trabajo tiene como propósito identificar y describir las percepciones de un grupo de estudiantes de Máster en cuanto a los efectos positivos y negativos de la introducción de estrategias de gamificación apoyadas en el uso de TIC en sus alumnos, así como los retos a los que se enfrenta el profesorado en este sentido. El diseño de esta investigación se corresponde a un estudio de caso no experimental de tipo interpretativo, donde la recogida de información se planteó entorno al desarrollo de una actividad académica de tipo reflexivo-argumentativo teniendo en cuenta el contexto propio de los estudiantes junto con su experiencia profesional. Como principales ventajas se aludieron a los beneficios relacionados con la motivación, actitudes y emociones ante el aprendizaje, seguidos de mejoras en aspectos sociales y comportamentales. Por el contrario, las dudas generadas en relación a aspectos conceptuales y de contenido sumado a la sobreexposición de la tecnología, son las preocupaciones más habituales. En cuanto a los retos se subrayó la importancia de hacerles frente desde una triple vertiente que integrase tanto una perspectiva pedagógica, como digital y económica. Desde esta premisa urgen a revisar desde la concepción y formulación de propuestas formativas integrales destinadas a los profesores, las necesidades de equipamiento en los centros, hasta la revisión de estrategias didácticas gamificadas a fin de tener en cuenta la diversidad existente en las aulas.
The purpose of this paper is to identify and describe the perceptions of a group of Master's students regarding the positive and negative effects of the introduction of gamification strategies supported by the use of ICT in their students, as well as the challenges facing teachers in this regard. The design of this research corresponds to an interpretative non-experimental case study, where the collection of information was based on the development of an academic activity of a reflexive-argumentative type taking into account the students' own context as well as their professional experience. The main advantages were the benefits related to motivation, attitudes and emotions towards learning, followed by improvements in social and behavioral aspects. On the contrary, the doubts generated in relation to conceptual aspects and content added to the overexposure of technology, are the most common concerns. Regarding the challenges, the importance of addressing them from a threefold perspective that integrates both a pedagogical, digital and economic perspective was stressed. They need to review from the conception and formulation of comprehensive training proposals for teachers, the equipment needs in schools, until the review of gamified teaching strategies to take account of the diversity in the classroom.
Marfan syndrome resulting from a rare pathogenic FBN1 variant, ascertained through a proband with IgG4‐related arteriopathy
Authors: Haan Eric A. , Chamalaun Francois H. , Chamuleau Steven A. J. , Arnolda Leonard F. , Slavotinek John P. , Wise Nadia C. , Gunawardane Dimuth N. , Schwarze Ulrike , Byers Peter H. , Gabb Genevieve M. 
Published: April 2021

AbstractA 57‐year‐old man with a family history of aortic aneurysm was found, during assessment of unexplained fever, to have an infrarenal aortic aneurysm requiring immediate repair. Dilatation of popliteal and iliac arteries was also present. Progressive aortic root dilatation with aortic regurgitation was documented from 70 years leading to valve‐sparing aortic root replacement at 77 years, at which time genetic studies identified a likely pathogenic FBN1 missense variant c.6916C > T (p.Arg2306Cys) in exon 56. The proband's lenses were normally positioned and the Marfan syndrome (MFS) systemic score was 0/20. Cascade genetic testing identified 15 other family members with the FBN1 variant, several of whom had unsuspected aortic root dilatation; none had ectopia lentis or MFS systemic score ≥ 7. Segregation analysis resulted in reclassification of the FBN1 variant as pathogenic. The combination of thoracic aortic aneurysm and dissection (TAAD) and a pathogenic FBN1 variant in multiple family members allowed a diagnosis of MFS using the revised Ghent criteria. At 82 years, the proband's presenting abdominal aortic aneurysm was diagnosed retrospectively to have resulted from IgG4‐related inflammatory aortopathy.
Kooperation zwischen T‐Domäne und minimaler C‐terminaler Docking‐Domäne für funktionelle Proteininteraktionen in Multiprotein‐NRPS
Authors: Watzel Jonas , Duchardt‐Ferner Elke , Sarawi Sepas , Bode Helge B. , Wöhnert Jens 
Published: April 2021

AbstractNicht‐ribosomale Peptidsynthetasen (NRPS) bestehen oft aus mehreren Einzelproteinen, deren gerichtete Interaktionen bei der Biosynthese von Naturstoffen aus Aminosäurebausteinen durch die Wechselwirkung spezialisierter N‐ und C‐terminaler Docking‐Domänen (N/CDDs) vermittelt werden. Klassischerweise ist die Funktion der Docking‐Domänen unabhängig von benachbarten Domänen. Durch ihren Austausch können funktionale Interaktionen zwischen normalerweise nicht‐interagierenden NRPS ermöglicht werden. Die aus mehreren Proteinen bestehende, “Peptide‐antimicrobial‐Xenorhabdus”(PAX)‐Peptid produzierende NRPS PaxS setzt sich aus den Proteinen PaxA, PaxB und PaxC zusammen. Wir haben nachgewiesen, dass die CDD von PaxA mit der ihr vorangestellten Thiolierungsdomäne (T1) zusammenarbeiten muss, um die PaxB‐NDD mit hoher Affinität zu binden. Bei dieser Domänen‐Kooperation handelt es sich um einen bisher strukturell und thermodynamisch beispiellosen, aber in NRPS‐Systemen anscheinend verbreiteten Interaktionstypus, dessen Rolle funktionell mithilfe einer verkürzten Version von PaxS analysiert wurde.
Synthesis and biological evaluation of new coumarin derivatives as cytotoxic agents
Authors: Ragab Fatma A. , Eissa Amal A. M. , Fahim Samar H. , Salem Mohammad A. , Gamal Mona A. , Nissan Yassin M. 
Published: April 2021

AbstractNew coumarin derivatives 9a–f, 10a–e, and 11a–f were synthesized and evaluated for their cytotoxic activity against a human breast cancer cell line (MCF‐7). All compounds exhibited good activity in the nanomolar range, using doxorubicin and erlotinib as positive controls. The most active compound 9d with IC50 of 21 nM was tested against the HCT‐116, HepG‐2, A549, and SGC‐7901 cell lines, with IC50 values of 0.021, 0.170, 0.028, and 0.11 µM, respectively. Compound 9d was further investigated for its ability to suppress the expression of epidermal growth factor receptor (EGFR). Compound 9d decreased the concentration of EGFR by 87%, using erlotinib as a positive control. A docking study revealed similar or higher scores than for erlotinib and similar binding poses providing interactions with the hinge region of the tyrosine kinase (TK). Besides the effect on expression, this in silico investigation predicts the possibility of direct binding between the new coumarin derivatives and the EGFR TK. Moreover, computational calculation for ADME properties for the most active compounds 9d, 9e, 10c, and 11c revealed the expected high gastrointestinal tract absorption, moderate water solubility with no central nervous system toxicity, and druglikeness.
Assessing general and autism‐relevant quality of life in autistic adults: A psychometric investigation using item response theory
Authors: Williams Zachary J. , Gotham Katherine O. 
Published: April 2021

AbstractAlthough many interventions and services for autistic people have the ultimate goal of improving quality of life (QoL), there is relatively little research on how best to assess this construct in the autistic population, and existing scales designed for non‐autistic individuals may not assess all meaningful facets of QoL in the autistic population. To address this need, the autism spectrum QoL form (ASQoL) was recently developed as a measure of the autism‐relevant quality of life. However, the psychometrics of the ASQoL have not been examined beyond the authors' initial validation study, and important properties such as measurement invariance/differential item functioning (DIF) have not yet been tested. Using data from 700 autistic adults recruited from the Simons Foundation's SPARK cohort, the current study sought to perform a comprehensive independent psychometric evaluation of the ASQoL using item response theory, comparing its performance to a newly‐proposed brief measure of general QoL (the WHOQOL‐4). Our models revealed substantial DIF by sex and gender in the ASQoL, which caused ASQoL scores to grossly underestimate the self‐reported QoL of autistic women. Based on a comparison of latent variable means, we demonstrated that observed sex/gender differences in manifest ASQoL scores were the result of statistical artifacts, a claim that was further supported by the lack of significant group differences on the sex/gender‐invariant WHOQOL‐4. Our findings indicate that the ASQoL composite score is psychometrically problematic in its current form, and substantial revisions may be necessary before valid and meaningful inferences can be made regarding autism‐relevant aspects of QoL.Lay summaryQuality of life (QoL) is an extremely important outcome for autistic people, but many of the tools that are used to measure it does not take into account how QoL may be different for autistic people. Using data from 700 autistic adults, we examined the measurement properties of the autism spectrum quality of life form (ASQoL), a new measure of QoL designed specifically for autistic people. Our results indicate that the ASQoL shows a pronounced sex/gender bias, which causes it to underestimate QoL in autistic women. This bias needs to be eliminated before the ASQoL can be successfully used to measure QoL in the autistic population.
Quantitative Structure‐Property Relationship Modelling for the Prediction of Singlet Oxygen Generation by Heavy‐Atom‐Free BODIPY Photosensitizers**
Authors: Buglak Andrey A. , Charisiadis Asterios , Sheehan Aimee , Kingsbury Christopher J. , Senge Mathias O. , Filatov Mikhail A. 
Published: April 2021

AbstractHeavy‐atom‐free sensitizers forming long‐living triplet excited states via the spin‐orbit charge transfer intersystem crossing (SOCT‐ISC) process have recently attracted attention due to their potential to replace costly transition metal complexes in photonic applications. The efficiency of SOCT‐ISC in BODIPY donor‐acceptor dyads, so far the most thoroughly investigated class of such sensitizers, can be finely tuned by structural modification. However, predicting the triplet state yields and reactive oxygen species (ROS) generation quantum yields for such compounds in a particular solvent is still very challenging due to a lack of established quantitative structure‐property relationship (QSPR) models. In this work, the available data on singlet oxygen generation quantum yields (ΦΔ) for a dataset containing >70 heavy‐atom‐free BODIPY in three different solvents (toluene, acetonitrile, and tetrahydrofuran) were analyzed. In order to build reliable QSPR model, a series of new BODIPYs were synthesized that bear different electron donating aryl groups in the meso position, their optical and structural properties were studied along with the solvent dependence of singlet oxygen generation, which confirmed the formation of triplet states via the SOCT‐ISC mechanism. For the combined dataset of BODIPY structures, a total of more than 5000 quantum‐chemical descriptors was calculated including quantum‐chemical descriptors using density functional theory (DFT), namely M06‐2X functional. QSPR models predicting ΦΔ values were developed using multiple linear regression (MLR), which perform significantly better than other machine learning methods and show sufficient statistical parameters (R=0.88–0.91 and q2=0.62–0.69) for all three solvents. A small root mean squared error of 8.2 % was obtained for ΦΔ values predicted using MLR model in toluene. As a result, we proved that QSPR and machine learning techniques can be useful for predicting ΦΔ values in different media and virtual screening of new heavy‐atom‐free BODIPYs with improved photosensitizing ability.
Dendritic‐Like Molecules Built on a Pillar[5]arene Core as Hole Transporting Materials for Perovskite Solar Cells
Authors: Bettucci Ottavia , Pascual Jorge , Turren‐Cruz Silver‐Hamill , Cabrera‐Espinoza Andrea , Matsuda Wakana , Völker Sebastian F. , Köbler Hans , Nierengarten Iwona , Reginato Gianna , Collavini Silvia , Seki Shu , Nierengarten Jean‐François , Abate Antonio , Delgado Juan Luis 
Published: April 2021

AbstractMulti‐branched molecules have recently demonstrated interesting behaviour as charge‐transporting materials within the fields of perovskite solar cells (PSCs). For this reason, extended triarylamine dendrons have been grafted onto a pillar[5]arene core to generate dendrimer‐like compounds, which have been used as hole‐transporting materials (HTMs) for PSCs. The performances of the solar cells containing these novel compounds have been extensively investigated. Interestingly, a positive dendritic effect has been evidenced as the hole transporting properties are improved when going from the first to the second‐generation compound. The stability of the devices based on the best performing pillar[5]arene material has been also evaluated in a high‐throughput ageing setup for 500 h at high temperature. When compared to reference devices prepared from spiro‐OMeTAD, the behaviour is similar. An analysis of the economic advantages arising from the use of the pillar[5]arene‐based material revealed however that our pillar[5]arene‐based material is cheaper than the reference.
Competition between Inter and Intramolecular Tetrel Bonds: Theoretical Studies Complemented by CSD Survey
Authors: Zierkiewicz Wiktor , Grabarz Anna , Michalczyk Mariusz , Scheiner Steve 
Published: April 2021

AbstractCrystal structures document the ability of a TF3 group (T=Si, Ge, Sn, Pb) situated on a naphthalene system to engage in an intramolecular tetrel bond (TB) with an amino group on the adjoining ring. Ab initio calculations evaluate the strength of this bond and evaluate whether it can influence the ability of the T atom to engage in a second, intermolecular TB with another nucleophile. A very strong CN− anionic base can approach the T either along the extension of a T−C or T−F bond and form a strong TB with an interaction energy approaching 100 kcal/mol, although this bond is weakened a bit by the presence of the internal T⋅⋅⋅N bond. The much less potent NCH base engages in a correspondingly longer and weaker TB, less than 10 kcal/mol. Such an intermolecular TB is weakened by the presence of the internal TB, to the point that it only occurs for the two heavier tetrel atoms Sn and Pb.
Shaping Immigration Narratives in Young Adult Literature: Authors and Paratextual Features of USBBY Outstanding International Books, 2006–2019
Authors: Durand E. Sybil , Glenn Wendy J. , Moore Daniel , Groenke Susan L. , Scaramuzzo Peter 
Published: April 2021

AbstractThis article contributes to research on equity in award‐winning and honor books by offering a paratextual analysis of 14 immigration‐themed young adult books that were included on the USBBY Outstanding International Books list between 2006 and 2019. Findings reveal that paratexts—all parts of a book excluding the narrative—frame authors who are not members of the cultures they describe as having authority to tell immigration stories through authors’ sociocultural proximity to real events and people who experienced migration. However, other paratextual features, such as titles, covers, and author interviews, reveal ideological problems in some authors’ didactic purposes for telling immigration stories and disproportionately depict migration in terms of escape and rescue. For educators, this article invites a reconsideration of text selection processes relative to an author’s background in connection to immigration and offers ideas for how teachers and their students might think critically about authorship.
High relative accuracy with matrices of q‐integers
Authors: Delgado Jorge , Orera Héctor , Peña Juan M. 
Published: April 2021

AbstractThis article shows that the bidiagonal decomposition of many important matrices of q‐integers can be constructed to high relative accuracy (HRA). This fact can be used to compute with HRA the eigenvalues, singular values, and inverses of these matrices. These results can be applied to collocation matrices of q‐Laguerre polynomials, q‐Pascal matrices, and matrices formed by q‐Stirling numbers. Numerical examples illustrate the theoretical results.
Matrix ions as internal standard for high mass accuracy matrix‐assisted laser desorption/ionization mass spectrometry imaging
Authors: Treu Axel , Römpp Andreas 
Published: April 2021

RationaleHigh mass accuracy is indispensable for reliable identification in matrix‐assisted laser desorption/ionization mass spectrometry (MALDI MS) imaging. Ubiquitous matrix ions can serve as reference masses for mass calibration if their sum formula is known. Here we report an overview of ions generated on tissue by 11 common MALDI matrices for use in internal or external mass calibration.MethodsMatrices covered in this study were applied onto coronal mouse brain sections using a pneumatic sprayer setup. MALDI imaging was performed on a Q Exactive HF orbital trapping mass spectrometer coupled to an AP‐SMALDI 10 source. Measurements were conducted with high mass resolution (240 k full width at half maximum at m/z 200) and high mass accuracy with a root mean square mass error of better than 1.5 ppm achieved via internal mass calibration using matrix ions.ResultsMALDI MS imaging was used to investigate ions generated on tissue by 11 common MALDI matrices. An example of using matrix ions for internal mass calibration in MALDI imaging of drug substances and lipids in murine lung sections is presented. Tables containing the cluster composition, sum formulae, and the measured and theoretical m/z ratios of the identified ions were compiled for each matrix.ConclusionUsing matrix ions as reference masses for internal and external mass calibration in MALDI MS imaging is an effective and elegant way to achieve sub‐ppm mass accuracy as it makes use of ubiquitous signals present in every MALDI MS spectrum without the need for an additional calibration standard.
Algorithms for all‐pairs Hamming distance based similarity
Authors: Grabowski Szymon , Kowalski Tomasz M. 
Published: April 2021

AbstractAll‐pairs distance computation for a collection of strings is a computation‐intensive task with important applications in bioinformatics, in particular, in distance‐based phylogenetic analysis techniques. Even if the computationally efficient Hamming distance is used for this purpose, the quadratic number of sequence pairs may be challenging. We propose a number of practical algorithms for efficient pairwise Hamming distance computation under a given distance threshold. The techniques are based on such concepts as pivot‐based similarity search in metric spaces, pigeonhole principle for approximate string matching, cache‐friendly data arrangement, bit‐parallelism, and others. We experimentally show that our solutions are often about an order of magnitude faster than the average‐case linear‐time LCP based clusters method proposed recently, both in real and synthetic benchmarks.
Access to Multicultural Children’s Literature During COVID‐19
Authors: Bennett Susan V. , Gunn AnnMarie Alberton , Peterson Barbara J. 
Published: April 2021

AbstractAmid the COVID‐19 pandemic, students, families, and educators have faced unprecedented challenges. These challenges have disproportionately impacted racially/ethnically diverse, low‐income communities because of long‐standing health system, socioeconomic, and educational inequities. With closures of schools, libraries, and childcare centers, many students were disconnected from their community and did not have access to books. Parents’ and educators’ concerns centered around students falling behind academically and socially. In this article, we explain the motivation and rationale for a social justice initiative to provide students of color from low‐poverty areas with access to high‐quality multicultural children’s literature at home. We describe our literacy partnership with a local after‐school program serving participant students and families, research underpinning the initiative, and our process for selecting high‐quality multicultural literature book sets and offer suggestions about how to facilitate comprehension and motivational support for home‐based reading. We also offer a list of recommended literature and discuss outcomes and implications of this project.
Rettungsdienst, kassenärztlicher Notdienst oder Notaufnahme
Authors: Metelmann Bibiana , Brinkrolf Peter , Kliche Marian , Vollmer Marcus , Hahnenkamp Klaus , Metelmann Camilla 
Published: April 2021

Zusammenfassung
Hintergrund
Bei medizinischen Akutfällen entscheiden Patienten eigenständig, ob sie den Rettungsdienst bzw. den ärztlichen Bereitschaftsdienst der kassenärztlichen Vereinigung anrufen oder sich in der Notaufnahme vorstellen.

Fragestellung
Gelingt der Bevölkerung die angemessene Zuordnung verschiedener dringlicher Erkrankungen zu den unterschiedlichen Systemen?

Material und Methoden
In einer deutschlandweiten, anonymen telefonischen Befragung nach dem Gabler-Häder-Design im Sommer 2018 wurden 708 Personen jeweils 6 verschiedene Szenarien mit medizinischen Akutfällen geschildert. Die Befragten wurden gebeten anzugeben, ob sie kurzfristige medizinische Hilfe für erforderlich hielten. Zusätzlich wurde die subjektive Dringlichkeit der einzelnen Szenarien sowie die Kenntnis der Telefonnummern von Rettungsdienst und ärztlichem Bereitschaftsdienst erhoben.

Ergebnisse
Die Dringlichkeit der Szenarien wurde häufig fehleingeschätzt: bei Szenarien hoher Dringlichkeit zu 20 %, bei mittlerer Dringlichkeit zu 50 % und bei leichter Dringlichkeit zu 27 %. Zusätzlich misslang einigen Befragten die Ressourcenwahl, wenn sie medizinische Hilfe für erforderlich hielten: 25 % würden bei einem Apoplex bzw. Myokardinfarkt keinen Rettungsdienst rufen. Bei Erkrankungen mittlerer Dringlichkeit würden mehr Befragte eigenständig in die Notaufnahme gehen (38 %), als den ärztlichen Bereitschaftsdienst zu alarmieren (46 %).

Diskussion
Das Wissen der Bevölkerung über die verschiedenen Ressourcen bei medizinischen Akutfällen und die Fähigkeit, die Dringlichkeit adäquat einzuschätzen, scheint nicht ausreichend zu sein. Die Lösung könnte neben einer Steigerung der Gesundheitskompetenz eine gemeinsame Telefonnummer für Rettungsdienst und ärztlichen Bereitschaftsdienst mit einheitlichem Abfragetool und Ressourcenzuordnung sein.