bluuebunny/crossref_metadata_2025_split huggingface dataset:
SAMPL7 physical property prediction from EC-RISM theory
Authors: Tielker Nicolas , Güssregen Stefan , Kast Stefan M. 
Published: July 2021

AbstractInspired by the successful application of the embedded cluster reference interaction site model (EC-RISM), a combination of quantum–mechanical calculations with three-dimensional RISM theory to predict Gibbs energies of species in solution within the SAMPL6.1 (acidity constants, pKa) and SAMPL6.2 (octanol–water partition coefficients, log P) the methodology was applied to the recent SAMPL7 physical property challenge on aqueous pKa and octanol–water log P values. Not part of the challenge but provided by the organizers, we also computed distribution coefficients log D7.4 from predicted pKa and log P data. While macroscopic pKa predictions compared very favorably with experimental data (root mean square error, RMSE 0.72 pK units), the performance of the log P model (RMSE 1.84) fell behind expectations from the SAMPL6.2 challenge, leading to reasonable log D7.4 predictions (RMSE 1.69) from combining the independent calculations. In the post-submission phase, conformations generated by different methodology yielded results that did not significantly improve the original predictions. While overall satisfactory compared to previous log D challenges, the predicted data suggest that further effort is needed for optimizing the robustness of the partition coefficient model within EC-RISM calculations and for shaping the agreement between experimental conditions and the corresponding model description.
Implicit Representation of Grammatical Gender in Italian Children with Developmental Language Disorder: An Exploratory Study on Phonological and/or Syntactic Sensitivity
Authors: Artuso Caterina , Fratini Elena , Belacchi Carmen 
Published: July 2021

AbstractChildren with Developmental Language Disorder (DLD) display impaired phonological and/or morpho-syntactic skills. To detect these impairments, it would be of value to devise tasks that assess specific markers of implicit linguistic competence. We administered a forced choice semantic categorization task developed in Italian (Belacchi and Cubelli in Journal of psycholinguistic research 41:295–310, 2012) for detecting the implicit use of grammatical gender markers in classifying epicenes names of animals: phonological and/or syntactic. Seventy Italian children with expressive-phonological DLD (mean age: 61.20 months) were compared with a same-size control group. Overall, the children with DLD performed more poorly than the control group. Also, the DLD participants used the phonological index to a significantly lesser extent, confirming their specific impairment in the phonological processing of words. The current study provided evidence for the status of phonological discrimination skills as a precursor of language development, and the value of using categorization tasks to assess implicit linguistic competence in children with DLD.
Against Public Reason’s Alleged Self-Defeat
Authors: Bespalov Andrei 
Published: July 2021

AbstractMainstream political liberals hold that state coercion is legitimate only if it is justified on the grounds of reasons that all may reasonably be expected to accept. Critics argue that this public justification principle (PJP) is self-defeating, because it depends on moral justifications that not all may reasonably be expected to accept. To rebut the self-defeat objection, I elaborate on the following disjunction: one either agrees or disagrees that it is wrong to impose one’s morality on others by the coercive power of the state. Those who disagree reject PJP, they understand politics as war. Those who agree accept PJP, they understand politics as competition. Political competitors abide by PJP to avoid politics as war, by enforcing PJP on political combatants they engage in a war that is unavoidable. In both cases their exercise of political power has a justification that is reasonably acceptable to all.
The value of travel time savings in freight transport: a meta-analysis
Authors: Binsuwadan Jawaher , De Jong Gerard , Batley Richard , Wheat Phill 
Published: July 2021

AbstractThe value of freight travel time savings (VFTTS) is a monetary value that is considered an important input into cost–benefit analysis and traffic forecasting. The VFTTS is defined as the marginal rate of substitution between travel time and cost and may therefore differ across firms, time and countries. The paper aims to explain variations in the VFTTS by using the meta-analysis method. The analysis covers 106 monetary valuations extracted from 56 studies conducted from 1988 to 2018 in countries across the globe. The meta-analysis method determines the factors that have an impact on these VFTTS variations. The paper briefly introduces the VFTTS concept and describes the adopted meta-analysis methodology, wherein different meta-models are used in VFTTS estimations. The results highlight the necessity of including multiple explanatory variables to ensure adequate explanation of the VFTTS variations. The findings also show that GDP per capita, transport mode and type of survey respondent are statistically significant variables. The paper sheds some light on the variations, thereby advancing the understanding of each factor’s effects on the VFTTS. Furthermore, meta-model outcomes are used to generate new values of travel time savings for different transport modes in freight transport, for several countries. These implied VFTTS can be used as benchmarks to assess existing evidence or provide new evidence to countries where no such values exist.
Economics as symbolic capital: The consecration of elite business schools
Authors: Holmqvist Mikael 
Published: July 2021

AbstractEver since the first elite business schools were founded in Europe and the United States during the late 1800s and early 1900s, they have enjoyed an intimate relationship with economics. Despite some notable analyses of economics’ importance for the successful institutionalization of business schools, an understanding of the relation between economics and elite business schools requires further development. As such, this paper focuses on ‘economics as symbolic capital’ for the consecration of business schools as elite settings, with particular emphasis on the symbolic aspects of economics’ cultural and social capital. Consecration can be seen as critical to the institutionalization of elite business schools; in contrast to the primary focus of previous studies on the material significance of economics in business schools, my chief concern is the discipline’s symbolic power and importance for business schools’ status as elite institutions in many countries today. Data from a study on Sweden’s elite business school, The Stockholm School of Economics (SSE), were based on both historical and contemporary sources, including archival material, biographies, statistics, participant observations, and interviews with faculty and students. The SSE is one of the world’s oldest elite business schools where economics has played a critical role ever since its establishment; the SSE’s economics faculty has a unique relation to the ultimate source of capital for contemporary global economics, namely, The Nobel Prize in Economics, which exerts a significant influence on the discipline’s general standing and status today.
Fisher Scoring for crossed factor linear mixed models
Authors: Maullin-Sapey Thomas , Nichols Thomas E. 
Published: July 2021

AbstractThe analysis of longitudinal, heterogeneous or unbalanced clustered data is of primary importance to a wide range of applications. The linear mixed model (LMM) is a popular and flexible extension of the linear model specifically designed for such purposes. Historically, a large proportion of material published on the LMM concerns the application of popular numerical optimization algorithms, such as Newton–Raphson, Fisher Scoring and expectation maximization to single-factor LMMs (i.e. LMMs that only contain one “factor” by which observations are grouped). However, in recent years, the focus of the LMM literature has moved towards the development of estimation and inference methods for more complex, multi-factored designs. In this paper, we present and derive new expressions for the extension of an algorithm classically used for single-factor LMM parameter estimation, Fisher Scoring, to multiple, crossed-factor designs. Through simulation and real data examples, we compare five variants of the Fisher Scoring algorithm with one another, as well as against a baseline established by the R package lme4, and find evidence of correctness and strong computational efficiency for four of the five proposed approaches. Additionally, we provide a new method for LMM Satterthwaite degrees of freedom estimation based on analytical results, which does not require iterative gradient estimation. Via simulation, we find that this approach produces estimates with both lower bias and lower variance than the existing methods.
Gesundheitskompetenz von Mitarbeitenden
Authors: Güttler C. , Kohls N. 
Published: July 2021

Zusammenfassung
Hintergrund
Um mit den zunehmenden Belastungen und Herausforderungen umgehen zu können, wird Gesundheitskompetenz (GK) im Alltag und Arbeitskontext immer wichtiger.

Ziel der Arbeit
Das Ziel dieser Arbeit ist es, eine Analyse der selbsteingeschätzten GK der Mitarbeitenden eines Unternehmens der verarbeitenden Metallindustrie durchzuführen und auf deren Grundlage Handlungsempfehlungen zur Stärkung der GK herauszustellen.

Material und Methoden
In dieser Arbeit wurde die GK der Mitarbeitenden mit der Kurzform des European Health Literacy Questionnaire (HLS-EU-Q16) sowie Angaben zum soziodemographischen Hintergrund, Gesundheitsverhalten, Gesundheitszustand und Wohlbefinden erhoben und analysiert. Mit Hilfe einer Online- und Paper-pencil-Befragung sollte in dieser quantitativen Erhebung eine repräsentative Stichprobe aus der Gesamtbelegschaft generiert werden.

Ergebnisse
Die meisten Mitarbeitenden der 458 teilgenommenen Personen verfügten über eine ausreichende GK (39,7 %). Mehr als die Hälfte der Mitarbeitenden (60,3 %) wies jedoch eine problematische oder inadäquate GK auf. Es konnten Zusammenhänge zwischen der GK und dem Wohlbefinden, Gesundheitszustand und verschiedenen gesundheitsförderlichen Verhaltensweisen festgestellt werden.

Diskussion
Die Ergebnisse verdeutlichen, dass ein Handlungsbedarf zur Stärkung der GK von Beschäftigten besteht. Durch die genannten Handlungsempfehlungen kann diese erzielt werden. Um deren Wirksamkeit zu überprüfen, sollte eine Folgeerhebung als Vergleich dienen. Weiterhin benötigt es einer dauerhaften Sensibilisierung aller Führungskräfte und Mitarbeitenden für die Förderung der GK.
Parasites of Three Closely Related Antarctic Fish Species (Teleostei: Nototheniinae) from Elephant Island
Authors: Alt Katharina G. , Cunze Sarah , Kochmann Judith , Klimpel Sven 
Published: July 2021

AbstractBackgroundStudies of parasite communities and patterns in the Antarctic are an important knowledge base with the potential to track shifts in ecological relations and study the effects of climate change on host–parasite systems. Endemic Nototheniinae is the dominant fish group found in Antarctic marine habitats. Through their intermediate position within the food web, Nototheniinae link lower to higher trophic levels and thereby also form an important component of parasite life cycles. The study was set out to gain insight into the parasite fauna ofNototheniops larseni,N. nudifronsandLepidonotothen squamifrons(Nototheniinae) from Elephant Island (Antarctica).MethodsSampling was conducted at three locations around Elephant Island during the ANT-XXVIII/4 expedition of the research vessel Polarstern. The parasite fauna of three Nototheniine species was analysed, and findings were compared to previous parasitological and ecological research collated from a literature review.ResultsAll host species shared the parasitesNeolebouria antarctica(Digenea),Corynosoma bullosum(Acanthocephala) andPseudoterranova decipiensE (Nematoda). Other parasite taxa were exclusive to one host species in this study.Nototheniops nudifronswas infected byAscarophis nototheniae(Nematoda), occasional infections ofN. larseniwithEchinorhynchus petrotschenkoi(Acanthocephala) andL. squamifronswithElytrophalloides oatesi(Digenea) and larval tetraphyllidean Cestoda were detected.ConclusionAll examined fish species’ parasites were predominantly euryxenous regarding their fish hosts. The infection ofLepidonotothen squamifronswithLepidapedon garrardi(Digenea) andNototheniops larseniwithEchinorhynchus petrotschenkoirepresent new host records. Despite the challenges and limited opportunities for fishing in remote areas, future studies should continue sampling on a more regular basis and include a larger number of fish species and sampling sites within different habitats.
Childhood Traumatic Experiences and Dimensional Models of Personality Disorder in DSM-5 and ICD-11: Opportunities and Challenges
Authors: Back Sarah N. , Flechsenhar Aleya , Bertsch Katja , Zettl Max 
Published: July 2021

Abstract
Purpose of Review
Childhood trauma is an important risk factor for the development of personality disorders (PDs), yet most research has been devoted to categorical models of personality pathology. Considering the introduction of a dimensional PD model with ICD-11, we review current findings related to various forms of childhood trauma, and PDs, operationalized in the form of personality functioning and maladaptive traits. We focus on the magnitude of associations and examine specific relationships between emotional and physical trauma with areas of personality functioning and single traits.

Recent Findings
Two studies showed a strong association between childhood trauma and personality dysfunction. Seven studies, including clinical and forensic samples, demonstrated heterogeneous associations between various forms of childhood trauma and maladaptive traits. Overall, four studies indicated a slightly stronger association between personality dysfunction, maladaptive trait expression, and higher levels of emotional trauma than for physical or sexual trauma. Regarding specific trait domains and childhood trauma, most studies yielded the strongest associations for either psychoticism or detachment.

Summary
Research on childhood trauma and dimensional PD models (i.e., personality functioning and traits) has the potential to contribute to a better understanding of their complex relationship. However, high intercorrelations among different types of childhood trauma, areas of personality functioning, and trait domains increase the difficulty of disentangling single effects. More research is needed including clinical and non-Western samples, especially considering the upcoming ICD-11 classification.
Insights into the role of gender in aesthetic design: a participatory study on the design of digital health wearables
Authors: Esfahani Bahar Khayamian , Sareh Pooya 
Published: July 2021

AbstractThe role of artificial intelligence (AI) in facilitating the real-time processing of data is revolutionising the future of healthcare through mobile diagnostics, remote monitoring devices, and wearable technology products. The rise in digital wearables for remote healthcare is evolving at an increasing pace towards patient-centred and personalised care with connected patients. This transformation is creating new opportunities for designers to increase patients' participation and sustain their engagement in remote healthcare. In this paper, the authors have investigated the role of gender in aesthetic design in the context of digital health wearables to enhance user engagement and interaction. The investigations were conducted through participatory design sessions and showed a constructive relationship between aesthetic preferences and understanding the influence of gender as a means of facilitating user engagement with digital health wearables. This paper presents a novel user response model that leads to suggestions for future work, including research in the areas of gender awareness in aesthetics to move beyond traditional, stereotypical, and pre-identified gendered characteristics related to femininity and masculinity. The findings conclude with a path forwards for design research to promote gender awareness in aesthetic design for the realisation of healthcare wearables of the future.
Public procurement and innovation
Authors: Caranta Roberto , Gomes Pedro Cerqueira 
Published: July 2021

AbstractInnovation has come to the forefront of EU public procurement. Directive 2014/24/EU has given contracting authorities in the Member States a new award procedure to pursue innovation, namely the innovation partnership. Still a number of issues remain open, notably concerning the allocation of intellectual property rights that may call for the application of State aids rules. Further guidance is thus expected from the Commission.
Mind the Energy Performance Gap: testing the accuracy of building Energy Performance Certificates in Ireland
Authors: Coyne Bryan , Denny Eleanor 
Published: July 2021

AbstractIreland’s Climate Action Plan aims upgrade 500,000 homes to B2 Energy Performance Certificate (EPC) standard by 2030. Evidence of an Energy Performance Gap, where actual energy use differs from the EPC, could undermine progress towards such targets. This paper studies the energy performance gap for a general housing sample (n = 9923) over multiple years. It provides a novel comparison between whole-home energy use (electricity and gas) that accounts for fuel switching and removes potential rebound effects by excluding households that may have changed their behaviour following a retrofit. Results suggest that actual energy use is unresponsive to the EPC, with a range of 457 kWh/year observed across EPC-level averages for the entire sample. This difference equated to less than 5% of the sample average annual energy use observed. The Energy Performance Gap range features an average deficit of 17% below theoretical energy use. The least energy efficient dwellings feature an average difference ranging from − 15 to − 56% of the relevant EPC. Conversely, energy efficient houses display higher-than-theoretical energy use, with average surpluses ranging from 39 to 54% of the relevant EPC. Results sound a note of caution for policymakers that rely on a theoretical EPC to deliver real energy savings. Future EPCs could be improved by incorporating historical household energy usage to help improve models.
DICER1-Mutated Botryoid Fibroepithelial Polyp of the Parotid Duct: Report of the First Case
Authors: Erber Ramona , Preidl Raimund , Stoehr Robert , Haller Florian , Hartmann Arndt , Kesting Marco , Agaimy Abbas 
Published: July 2021

AbstractDICER1, a member of the ribonuclease III family, is involved in the biogenesis of microRNAs and, hence, it influences gene expression regulation.DICER1germline (associated with the inheritedDICER1syndrome) or somatic mutations have been linked to tumorigenesis in histogenetically diverse benign and malignant neoplasms in different organs including pleuropulmonary blastoma, cystic nephroma, embryonal rhabdomyosarcoma, nasal chondromesenchymal hamartoma, poorly differentiated thyroid carcinoma, thyroblastoma, intracranial sarcoma and gonadal Sertoli-Leydig cell tumors in addition to others. Moreover, rare botryoid (giant) fibroepithelial polyps may harbor this mutation. Herein, we describe the first reported case of aDICER1-mutated botryoid fibroepithelial polyp occurring within the parotid duct of a 65-year-old female who has no other features or family history of the DICER1 syndrome. Based on its distinctive morphology, we tested this lesion specifically forDICER1mutations and confirmed the presence of a pathogenicDICER1variant with a low allele frequency, consistent with a somatic mutation.
Spontaneous Tumour Lysis Syndrome Secondary to Metastatic Gallbladder Adenocarcinoma: a Case Report and Reflection
Authors: Tuharska Zofia , Galloway Sarah , Stockman Alan , Damaskos Dimitrios 
Published: July 2021

AbstractTumour lysis syndrome (TLS) is a well-recognised oncological emergency caused by rapid destruction of cancer cells. Despite most commonly occurring in haematological malignancies or following initiation of chemotherapy, rarely, it occurs in solid tumours without any trigger. Release of nucleic acids during cell breakdown produces large amounts of uric acid resulting in crystallisation within the renal tubules, clinically manifesting as severe acute kidney injury. We hereby discuss the first reported case of lethal spontaneous TLS in a 77-year-old patient admitted with newly diagnosed metastatic gallbladder adenocarcinoma and reflect on the importance of considering rarer causes of severe AKI in patients with solid organ cancers.
A latent growth curve modelling approach to seasonal and spatial dynamics of food security heterogeneities in rural Lake Naivasha Basin, Kenya
Authors: Sassi Maria , Trital Gopal 
Published: July 2021

AbstractThe increasing complexity of food insecurity, malnutrition, and chronic poverty faced by Sub-Saharan Africa warrants urgent categorisation and tracking of household food security along both temporal and spatial dimensions. This will help to effectively target, monitor and evaluate population-level programs and specific interventions aimed at addressing food insecurity. Traditional longitudinal analysis does not address the dynamics of inter- and intrahousehold heterogeneities within the seasonal and spatial context of household-level food security. This study is the first to overcome such limitations by adopting a multi-group piecewise latent growth curve model in the analysis of the food security situation in a statistically representative sample of 601 households involved in subsistence and cut-flower commercial agriculture, around Lake Naivasha. We considered food security as a latent concept, which manifests as food security outcomes in our primary longitudinal dataset from March 2018 to January 2019. Our analysis highlights the temporal and spatial dynamics of food security and advances new evidence on inter- and intrahousehold heterogeneities in food security across different seasons for the subsistence and commercial farming clusters. These heterogeneities were demonstrated primarily during the hunger season from March to June, and persisted in both the clusters and across months, albeit with different intensities. Moreover, our results indicate the importance of commercial agriculture in achieving food security in the hunger season. Our study suggests the need of a multidisciplinary approach to food security and the introduction of well-coordinated interventions for the development of subsistence and commercial agriculture considering the seasonal and cluster-level specificities.