bluuebunny/crossref_metadata_2025 huggingface dataset:
Empfehlungen zum Umgang mit Forschungsdaten in der Kommunikationswissenschaft – AG Forschungsdaten im Auftrag des Vorstands der DGPuK
Authors: Peter Christina , Breuer Johannes , Masur Philipp K. , Scharkow Michael , Schwarzenegger Christian
Published: December 2020

Forschungsdaten sind das primäre Produkt empirischer Studien und die zentrale Grundlage wissenschaftlicher Erkenntnis. Ihre langfristige Sicherung und Bereitstellung zur intersubjektiven Nachvollziehbarkeit und damit zur Qualitätssicherung sollte daher in allen wissenschaftlichen Disziplinen unterstützt werden. Entsprechend hat die Deutsche Forschungsgemeinschaft 2016 die sozialwissenschaftlichen Fachgesellschaften in Deutschland aufgefordert, sich mit dem Thema zu befassen und konkrete Leitlinien zum Umgang mit Forschungsdaten zu entwickeln. Die vorliegenden Leitlinien sind dabei aus einer Arbeitsgruppe der Deutschen Gesellschaft für Publizistik- und Kommunikationswissenschaft entstanden. Sie beziehen sich auf alle in der Kommunikationswissenschaft generierten Datentypen und reflektieren dabei die Bedeutung der Bereitstellung von Forschungsdaten, aber auch Herausforderungen und Einschränkungen. Daraus werden Empfehlungen für verschiedene Zielgruppen abgeleitet, um die Bereitstellung von Forschungsdaten in der Kommunikationswissenschaft stärker zu fördern.
No Blank Check
Authors: Müller Marcus
Published: December 2020

Much of the academic debate surrounding the War on Terror focuses on presidential power after 9/11. In this context, the role of the US Congress in directing the outcome of national security policies is often overlooked. This book illustrates how Congress played a key role in the War on Terror during Barack Obama’s presidency. Instead of arguing that Congress was a compliant bystander and incapable of making successful counterterrorism policy, the legislative branch did more than hand the president a blank check. In using an innovative data set on congressional debates and policymaking, the book shows that the interaction between congressional entrepreneurs and senior committee/party leaders determined the outcome of controversial policies, including drone warfare, Guantanamo and the NSA’s mass surveillance activities.
The Spectrum of Chest CT-Scans in the Hospitalized Patients with the Coronavirus Disease
Authors: Shirvani Maria , Janbakhsh Alireza , Mansouri Feizollah , Sayad Babak , Vaziri Siavash , Afsharian Mandana , Zamanian Mohammad Hossein , Miladi Ronak , Aziziaram Zahra , Nouri Masoomeh , Mohseni Afshar Zeinab
Published: December 2020

Background: Coronaviruses are a large family of RNA viruses, which range from the common cold virus to the causative agent of more severe diseases. Coronavirus was declared a pandemic in December 2019 in Wuhan, China. Iran has been an endemic zone for the spread of the coronavirus since the outset of this global epidemic and has remained among the countries largely affected by high rates of the disease. Objectives: The present study aimed to investigate the range of the chest computed tomography (CT) scan findings among the hospitalized patients with COVID-19 in Kermanshah, Iran during March-April 2020 to contribute to the accurate diagnosis of the infected patients. Methods: The sample population consisted of 286 hospitalized patients diagnosed with or suspected of the coronavirus disease. Chest CT-scan images and clinical data were reviewed, and their correlation was analyzed. Results: In total, 176 patients (61.53%) were male, and 110 (38.47%) were female. The mean age of the patients was 56 years. Polymerase chain reaction (PCR) results showed that 35.31% of the cases had coronavirus, while the results were negative in 64.69% of the cases. In addition, the CT-scan findings indicated 77.27% abnormal and 22.73% normal chest CT-scans. Among the patients, 75.87% recovered completely, and 18.53% died. The major CT abnormalities were diffuse ground-glass opacification (35.66%), peripheral ground-glass opacification (bilateral; 21.33%), and a combination of diffuse and peripheral ground-glass lesions (18.88%). The consolidation lesion of one lobe was detected in 16 patients, and the consolidation lesion of more than one lobe was observed in 40 patients. Conclusions: According to the results, the most common chest CT-scan findings in COVID-19 include diffuse ground-glass opacification, peripheral ground-glass opacification (bilateral), central ground-glass opacification (bilateral), a combination of diffuse and peripheral ground-glass opacification, a combination of central and peripheral ground-glass opacification, the consolidation lesion of one lobe, and the consolidation lesion of more than one lobe. Furthermore, significant correlations were observed between the CT-scans and the main clinical symptoms, while no significant correlations were denoted between the chest CT-scan and PCR results.
Integrating music and language contents and skills in the academic course English language for children through songs and movement
Authors: Stošić Aleksandra , Janković Nataša
Published: December 2020

A song is a musical content in which melody and poetic text are unified, which makes it an ideal tool in all music activities with children of preschool and early primary school age. It also represents the core of integration of different school subjects, with a huge educational potential in language teaching (both mother tongue and foreign languages). In this paper we elaborate on the advantages of integrating English Language and Music Education academic courses in working with pre-service primary and preschool teachers who are trained to teach English to preschool and early primary school children. We examine students' music experience and their preferences, as well as their familiarity with the phonological elements of the language with the aim of improving the quality of teaching. The paper also presents the key results of the research conducted in 2018 and 2019 with the first and the second generations of students attending the course English Language for Children through Songs and Movement at the first year of their studies at the Teacher Education Faculty in Belgrade. Apart from providing useful insights for further teaching, the results of the research conducted on a convenience sample of 58 students (N = 58) confirmed the importance of integrating the two academic courses by reinforcing students' vocal development in English through songs and action songs as a fundamental tool in the cross-curricular integration. The results also offer new guidelines for the future exploratory research of teaching in university education. These guidelines have a broader pedagogical significance and methodological implications for the work of the future preschool and primary school teachers.
The key indicators of the normality of distribution
Authors: Vidović Zoran , Vorkapić Marija
Published: December 2020

Statistics plays an important role in describing the results of various research. The basic role of statistical reasoning is to enable generalizations valid for the entire population to be made on the basis of certain quantitative characteristics of the sample. Various statistical procedures are used for this purpose, among which those for which the normality of distribution is the null hypothesis are very common. This paper provides an insight into the statistical techniques most commonly used in pedagogical research, which serve as a guide for the researcher in confirming or rejecting the null hypothesis about the normality of the distribution of the population characteristics based on a simple random sample. These are commonly known descriptive methods that allow the researcher to statistically confirm the normality of the characteristics of the entire population. The first part of the paper describes the most commonly used visual methods: histogram, QQ graph, and scatter diagram, pointing out their advantages and disadvantages, but also the interrelation and a complementary role in drawing conclusions. Statistical tests are described as well: Chi-square, Shapiro-Wilk and Anderson-Darling tests, the application of which contributes to the discovery of the essence, which is not possible only by applying visual methods. The correctness of statistical inference is always conditioned by the adequate application of the selected methods and techniques. The aim of this paper is to present the application of statistical methods in determining the normality of the distribution of the features of empirical pedagogical research.
Comprehensive defense and strategic culture from a human perspective
Authors: Vračar Milinko , Milkovski Vangel
Published: December 2020

The problem framework of the paper indicates that in the period of globalization of international relations, there have been changes in the thinking and practice of the state's defense function as a military activity. An indicator of these changes is recognized in the development and implementation of the strategic concept of comprehensive defense, which deviates from the traditional logic of the state's defense function as the logic of military power. Considering the mentioned problem, the subject of the research is focused on the questions why and how the logic of the defense function has changed and how these changes affect the strategic concept of defense and the strategic culture of the states. The paper starts from the thesis that the civilizational development of a human has conditioned a change in the values that the state defends, as well as the nature of the phenomena that endanger those values, which has resulted in changes in the logic of the state's defense function, its strategic concept and strategic culture. In proving this thesis, the analogy of the defense functions of a human and the state is used. Namely, the paper considers how the complex nature of a human, as a biological and conscious being, shapes their defense mechanism, and by knowing what the object of human defense is and how a human defends that object, it is possible, by analogy, to draw conclusions on the same issues of the defense function of the state. The paper concludes that the defense function of the state, until recently, was based on those values and defense behavior of a human that was characteristic of their natural state, i.e. on survival and aggressive behavior. However, in recent decades, the civilizational development of a human and society has changed the priorities in the values that the state defends, as well as the nature of the phenomena that endanger those values. As a result, the state's defense behavior has changed. Namely, in modern global relations, in addition to survival, the quality of life imposes as another vital value and the state's defense interest. On the other hand, in strategic relations between states, non-military phenomena of endangering their defense interests are gaining in importance. In response to these changes, the strategic concept of defense is based on comprehensive defense, i.e. on the logic of integrating military power with other elements of national power. In this way, the strategic culture of the state, which has so far been narrowly understood as a "military culture" or "culture of the use of force", is gradually changing.
Borderscapes and tourismscapes: The place of postcards in Mexican border town tourism
Authors: Timothy Dallen J.
Published: December 2020

Since the early 1900s, Mexico’s northern border towns became important tourism destinations, receiving more foreign tourists than any other areas of Mexico. Historically, postcards followed the development of tourism in the borderlands, depicting unique border-oriented tourismscapes and life in general, and establishing an iconic image of the border as a rowdy, promiscuous and decadent location where Americans could spend their holidays abroad and participate in tourisms of vice. Until the 2000s, tourism in the US-Mexico border zone was overwhelmingly leisure oriented, and the proliferation of postcards illustrated that fact. Today, there are few postcards left and the ones that do remain are less focused on the border itself, as they once were; instead, they focus on the broader community with less emphasis on the borderline. Changes in border tourism from leisure pursuits to medical tourism and alcohol consumption, growing security concerns, and the proliferation of mobile phones and social media have almost entirely eliminated postcard use as a souvenir and marker of regional tourism identity in the US-Mexico borderlands.
The Early Mediaeval Slav-German border (Limes Sorabicus) in the light of research into Y-chromosome polymorphism in contemporary and historical German populations
Authors: Kowalski Mariusz
Published: December 2020

n the 8th century, the first political boundary between Germany (the land of the Franks) and the Slav people – known as Limes Sorabicus – followed the line of the Rivers Elbe and its tributary the Saale. In later centuries this was breached under the influence of an eastwards political expansion of Germany also characterised by developing German colonisation in that same direction (of the so-called Ostsiedlung). The consequence was for German regional communities to take shape to the east of the old Limes Sorabicus. Alongside the emigrants from the west, further participants in the process where autochthonous Slavs and Balts. This mixed origin of the new communities arising is revealed in historical accounts, but also via the results of scientific analyses of various profiles. The genetic research carried out to date supports the above contention, as well as a conclusion that the zone around the old Limes Sorabicus, despite its running through the centre of what is today an ethnically-German area, continues to represent a separation of populations whose ancestors are mainly of distinct origins.
Mechanistic Responses of Asphalt Concrete Overlay Over Jointed Plain Concrete Pavement Using Finite Element Method
Authors: Diallo Amadou Oury , Akpinar Muhammet Vefa
Published: December 2020

This study focused on the development of a three-dimensional Finite Element Model of an asphalt concrete overlaid on a jointed plain concrete pavement to assess the mechanical behaviour of the pavement under traffic load. The objective of this study was to determine the influence of different asphalt concrete thickness, asphalt concrete modulus, the interface bond between the asphalt concrete and the Portland cement concrete layer, Portland cement concrete modulus, and joint width on the tensile strain at the bottom of the asphalt overlay. The results showed that changes in the pavement parameters result in a large range of variations on the magnitude of pavement responses. The magnitude of the longitudinal tensile strain at the bottom of the overlay varied between 25 με and 460 με. Asphalt concrete thickness, interface contact condition, and asphalt concrete modulus parameters had the most influence on the pavement responses. The interface bonding condition was significant, regardless of the thickness of the surface layer.
Divenire terra, divenire plastica: Rappresentazioni della Postnatura
Authors: Delgado Angela
Published: December 2020

I plastiglomerati – formazioni geologiche di origine antropogenica, in cui come risultato della combustione diversi tipi di plastica si mescolano con sedimenti dell’ambiente circostante (Corcoran, Moore, & Jazvac, 2014) – simboleggiano l’ambivalenza dello spirito del nostro tempo/spazio, in cui non è più possibile separare – in questo caso quasi letteralmente – ciò  che è artiﬁciale da ciò  che è naturale. In questo lavoro si presentano immagini di plastigomerati fotografati a Villavicencio, in Colombia. In questo caso speciﬁco, questo tipo di sedimento è frutto della combustione di buste di polietilene di bassa densità (LDPE), che vengono usate per coprire e proteggere il frutto del platano. Una volta usate e scartate, le buste di plastica vengono bruciate e sotterrate nelle zone vicine alle piantagioni.
Fuori dal comune: incontri tra commons e prospettive decoloniali in Chiapas e Bolivia
Authors: Tola Miriam
Published: December 2020

In dialogue with decolonial perspectives, this article considers conflicts around land and water in Chiapas and Bolivia. Largely animated by indigenous groups, these conflicts have often been interpreted as instances of commons. My essay, however, shows how they trouble understandings of the commons as form of social cooperation that includes the shared care of natural resources. Unlike Western approaches to the commons that cast land and water as ecosystems transformed through human action, political movements in Latin America consider these other-than-human entities as part of political collectives. Examining the encounter between the commons and indigenous politics, this article argues for the possibility of alliance across differences that can only arise from a radical reassessment of the commons’ aspirations for universalism.
Fe3O4@L‐lysine‐Pd(0) organic–inorganic hybrid: As a novel heterogeneous magnetic nanocatalyst for chemo and homoselective [2 + 3] cycloaddition synthesis of 5‐substituted 1H‐tetrazoles
Authors: Ashraf Muhammad Aqeel , Liu Zhenling , Li Cheng , Zhang Dangquan
Published: December 2020

An efficient and sustainable synthetic protocol has been presented to synthesis and 5‐substituted 1H‐tetrazole privileged heterocyclic substructures. The synthetic protocol involves two‐component reaction between aryl nitriles and NaN3in water using complex of L‐lysine‐palladium nanoparticles (NPs) modified Fe3O4nanoparticles as magnetically separable, recyclable, and reusable heterogeneous catalyst. Magnetically retrievable L‐lysine‐Pd(0) modified Fe3O4nanoparticles were applied in [2 + 3] cycloaddition synthesis of 5‐substituted 1H‐tetrazoles. The advantages of this strategy include easy recovery and efficient reusability of the expensive Pd NPs, obtaining high yields of [2 + 3] cycloaddition, short reaction times, and all of the reported synthetic strategies are being performed in water as green solvent for a wide range of substrates.
The evolutionary background and functional consequences of the rs2071307 polymorphism in human tropoelastin
Authors: Reichheld Sean E. , Muiznieks Lisa D. , Huynh Quang , Wang Nick , Ing Christopher , Miao Ming , Sitarz Eva E. , Pomès Régis , Sharpe Simon , Keeley Fred W.
Published: December 2020

Elastin is a major polymeric protein of the extracellular matrix, providing critical properties of extensibility and elastic recoil. The rs2071307 genomic polymorphism, resulting in the substitution of a serine for a glycine residue in a VPG motif in tropoelastin, has an unusually high minor allele frequency in humans. A consequence of such allelic heterozygosity would be the presence of a heterogeneous elastin polymer in up to 50% of the population, a situation which appears to be unique to Homo sapiens. VPG motifs are extremely common in hydrophobic domains of tropoelastins and are the sites of transient β‐turns that are essential for maintaining the conformational flexibility required for its function as an entropic elastomer. Earlier data demonstrated that single amino acid substitutions in tropoelastin can have functional consequences for polymeric elastin, particularly when present in mixed polymers. Here, using NMR and molecular dynamics approaches, we show the rs2071307 polymorphism reduces local propensity for β‐turn formation, with a consequent increase in polypeptide hydration and an expansion of the conformational ensemble manifested as an increased hydrodynamic radius, radius of gyration and asphericity. Furthermore, this substitution affects functional properties of polymeric elastin, particularly in heterogeneous polymers mimicking allelic heterozygosity. We discuss whether such effects, together with the unusually high minor allele frequency of the polymorphism, could imply some some evolutionary advantage for the heterozygous state.
Comparative Biochemistry of Four Polyester (PET) Hydrolases**
Authors: Bååth Jenny Arnling , Borch Kim , Jensen Kenneth , Brask Jesper , Westh Peter
Published: December 2020

The potential of bioprocessing in a circular plastic economy has strongly stimulated research into the enzymatic degradation of different synthetic polymers. Particular interest has been devoted to the commonly used polyester, poly(ethylene terephthalate) (PET), and a number of PET hydrolases have been described. However, a kinetic framework for comparisons of PET hydrolases (or other plastic‐degrading enzymes) acting on the insoluble substrate has not been established. Herein, we propose such a framework, which we have tested against kinetic measurements for four PET hydrolases. The analysis provided values of kcat and KM, as well as an apparent specificity constant in the conventional units of M−1s−1. These parameters, together with experimental values for the number of enzyme attack sites on the PET surface, enabled comparative analyses. A variant of the PET hydrolase from Ideonella sakaiensis was the most efficient enzyme at ambient conditions; it relied on a high kcat rather than a low KM. Moreover, both soluble and insoluble PET fragments were consistently hydrolyzed much faster than intact PET. This suggests that interactions between polymer strands slow down PET degradation, whereas the chemical steps of catalysis and the low accessibility associated with solid substrate were less important for the overall rate. Finally, the investigated enzymes showed a remarkable substrate affinity, and reached half the saturation rate on PET when the concentration of attack sites in the suspension was only about 50 nM. We propose that this is linked to nonspecific adsorption, which promotes the nearness of enzyme and attack sites.
Relapsed breast cancer complicated by isolated brain metastasis
Authors: Ehsan Hamid , Imtiaz Hassaan , Sana Muhammad Khawar , Sheikh Muhammad Mubbashir , Wahab Ahsan
Published: December 2020

The most common etiology of malignant brain tumors is metastatic lesions. They usually present as multiple lesions at the gray‐white matter junction. However, they can unconventionally present as a single space‐occupying lesion mimicking meningioma.
Porphyrin‐based NiFe Porous Organic Polymer Catalysts for the Oxygen Evolution Reaction
Authors: Meng Jing , Xu Ze , Li Hongxi , James Young David , Hu Chuanjiang , Yang Yonggang
Published: December 2020

Porphyrin‐based NiFe porous organic polymers (POPs) have been synthesized with good porosity and large BET surface areas (261 to 313 m2 g−1). These bimetallic POPs exhibit RuO2‐like OER activity, with the reaction for catalyst FeTAPP‐NiTCPP‐POP reaching a current density of 10 mA cm−2 at a low overpotential of 338 mV and with a small Tafel slope of 52 mV dec−1. FeTAPP‐NiTCPP‐POP was stable over a long period under reaction conditions. These bimetallic POPs exhibit better catalytic activity than their monometallic counterparts, due to synergetic interactions between the iron and nickel centers to facilitate the electrocatalytic process.
Assessing risk factors with information beyond P value thresholds: Statistical significance does not equal clinical importance
Authors: Putt Mary E.
Published: December 2020

The likelihood of a risk factor achieving statistical significance is affected by the overall sample size as well as the distributions of both outcome and predictor variables. Closer attention to confidence intervals and visual displays, in the context of a prespecified determination of effects of interest, contributes to a more comprehensive understanding of the results of a data analysis.
A phase 1b expansion study of TAS‐102 with oxaliplatin for refractory metastatic colorectal cancer
Authors: Cecchini Michael , Kortmansky Jeremy S. , Cui Can , Wei Wei , Thumar Jaykumar Ranchobdhai , Uboha Nataliya V. , Hafez Navid , Lacy Jill , Fischbach Neal A. , Sabbath Kert D. , Gomez Christina M. , Sporn Jonathan Reed , Stein Stacey , Hochster Howard S.
Published: December 2020

Background

TAS‐102, a novel antimetabolite, is approved for treatment of refractory metastatic colorectal cancer (CRC). This study sought to determine whether the addition of TAS‐102 to oxaliplatin (TAS‐OX) was safe and effective in metastatic CRC previously treated with oxaliplatin.

Methods

This investigator‐initiated, open‐label, single‐arm phase 1b study enrolled patients with metastatic CRC previously treated with 5‐fluorouracil, irinotecan, and oxaliplatin. In dose escalation, TAS‐102 was given at 3 dose levels: 25, 30, and 35 mg/m2 twice daily on day 1 to day 5 with 85 mg/m2 oxaliplatin on day 1 in 14‐day cycles. The primary endpoint of dose escalation was the recommended dose for expansion, and in dose expansion, the primary endpoint was overall response rate (ORR) according to the Response Evaluation Criteria in Solid Tumors (RECIST, version 1.1).

Results

Forty‐one patients were treated with TAS‐OX. No dose‐limiting toxicities were observed in the 11 patients treated in escalation. The recommended dose for expansion was 35 mg/m2 TAS‐102 twice daily on day 1 to day 5 in combination with 85 mg/m2 oxaliplatin on day 1 in 14‐day cycles. In the intention‐to‐treat population, the ORR was 2.4% (95% CI, 0%‐12.9%) with 1 of 41 patients having a partial response, although 12 (29%) had tumor shrinkage. The median progression‐free survival was 2.7 months (95% CI, 2.4‐4.8 months) and median overall survival was 6.8 months (95% CI, 5.7‐10 months).

Conclusions

TAS‐OX is safe with no unexpected toxicities at standard doses of each agent. The combination did not result in a clinically meaningful ORR, although progression‐free survival and overall survival were encouraging in this heavily pretreated population.

Lay Summary

For metastatic colorectal cancer, the treatment combination of TAS‐102 and oxaliplatin was found to be well‐tolerated and revealed no unexpected side effects.

Twelve of 41 patients had reductions in the size of their tumor, and the study treatment delayed the time to tumor growth as opposed to what would be expected.
Evaluating the healthcare practice by defining healthcare principles: An autoregressive integrated moving average model based on time series
Authors: Yan Jingjing
Published: December 2020

Aim

This study developed a set of health care principles to evaluate the health care practice in China long‐term via time series.

Methods

This study was divided into four parts. First, the variables were designed by defining a set of conceptual tools. Second, qualitative text was collected and coded according to the defined conceptual tools. Third, the sampling text was qualitatively analysed. Fourth, the variables were analysed through an autoregressive integrated moving average model based on a time series. Lastly, the qualitative and variable analyses were combined and the basic conclusions of the study were drawn.

Results

We found that the health care principle of accessibility was significantly positively affected by abnormal event, policy experimentation and policy authority shift. Quality was found to be significantly positively affected by policy experimentation and policy authority shift, while cost control was significantly positively affected by policy experimentation.

Conclusion

This study implies that the collective activities of the government and health care practitioners, such as abnormal events, policy failures, policy experimentations and policy authority shifts, as well as health care practice itself, become increasingly interconnected over time.
Front Cover
Authors: Schiattarella Chiara , Moretta Rosalba , Defforge Thomas , Gautier Gaël , Della Ventura Bartolomeo , Terracciano Monica , Tortiglione Claudia , Fardella Federica , Maddalena Pasqualino , De Stefano Luca , Velotta Raffaele , Rea Ilaria
Published: December 2020

Poly‐L‐lysine‐coated, highly microporous silicon nanoparticles are herein characterized and successfully used as longer‐lived luminescent probes for in vivo time‐gated imaging using Hydra vulgaris as model organism. The uptake in living polyp is promoted by the positive surface charge of the nanocomposite. The outcomes show that time gating allows to get rid of nonspecific tissue autofluorescence and leads to a contrast enhancement by a factor > 1 order of magnitude.

Further details can be found in the article by Chiara Schiattarella, Rosalba Moretta, Thomas Defforge, Gaël Gautier, et al. (e202000272).

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Extended diffusion theory: Recovering dynamics from biased/accelerated molecular simulations
Authors: Rapallo Arnaldo , Gaspari Roberto , Grasso Gianvito , Danani Andrea
Published: December 2020

Dynamical properties are of great importance in determining the behavior of synthetic and natural molecules, but capturing them by computational methods is a nontrivial task. Very often the time scales of the relevant phenomena are far beyond the typical time windows accessible by classical Molecular Dynamics (MD) simulations, currently limited to the order of microseconds on standard laboratory workstations. On the other hand, biased and accelerated simulations allow for fast and thorough exploration of the molecular conformational space, but they lose the dynamic information. The problem of recovering dynamics from biased/accelerated simulations is a very active field of research, but no totally robust/reliable solutions have been given yet. In this paper it is shown how the Smoluchowski equation, in the framework of Diffusion Theory (DT), can be used to bridge this gap, and dynamical properties, in the form of time correlation functions (TCFs), can be extracted also from such kind of simulations. DT is first extended (EDT) to express the mobility tensors entering the Smoluchowski operator in terms of a recently introduced unified and regularized Rotne–Prager–Yamakawa approximation, [P. J. Zuk, E. Wajnryb, K. A. Mizerski, P. Szymczak, J. Fluid. Mech. 2014, 741, R5, 1–13] also involving mixed rotation‐translation contributions, and rotation‐rotation terms beside the classical translation‐translation ones, so far used in DT. Then, the method is applied to recover the dynamics of a nontrivial example of a peptide in explicit water from the first 200 ns of a Replica Exchange Molecular Dynamics simulation, which is a popular computational method that destroys the long time dynamics. EDT dynamics were found to favorably compare against those coming from a standard MD simulation of the same system, requiring a time window of 30 μs to converge. This result shows that EDT is a tool of practical value to recover the long time dynamics of systems in diffusive regimes from biased/accelerated simulations, to be exploited in those cases when direct evaluation by standard MD is unfeasible.
Apatite‐like forming ability, porosity, and bond strength of calcium aluminate cement with chitosan, zirconium oxide, and hydroxyapatite additives
Authors: Saltareli Fernanda Mara , Leoni Graziela Bianchi , de Lima Ferraz Aguiar Nayara , de Faria Natália Spadini , Oliveira Ivone Regina , Bachmann Luciano , Raucci‐Neto Walter
Published: December 2020

This study evaluated the effect of chitosan, zirconium oxide, and hydroxyapatite on the apatite‐like forming ability, porosity, and bond‐strength of calcium‐aluminate cements (C). Three hundred bovine root‐slices were assigned to one of five groups, according to the material: MTA, C, C + chitosan (Cchi), C + zirconium oxide (Czio), and C + hydroxyapatite (Chap), and within each group, two subgroups, according to the immersion: deionized water or phosphate‐buffered saline (PBS) up to 14 days. Assessments (n = 10) of apatite‐like forming ability were performed using scanning‐electron microscopy, energy‐dispersive x‐ray spectroscopy, Fourier‐transform infrared spectroscopy, and x‐ray diffraction. PBS was evaluated for pH and Ca2+ release (n = 10). Bond‐strength was analyzed by push‐out test (n = 10) and porosity by micro‐CT (n = 10). Chemical and push‐out data were analyzed by ANOVA and Tukey's tests (α = .05). Porosity data were analyzed by the Kruskal‐Wallis and SNK tests (α = .05). Similar Ca/P ratios were observed between all groups (p > .05). The pH of MTA and Cchi were higher than that of other cements at d 3 and 6 (p < .05). Cchi had a higher release of Ca2+ up to 6 days (p < .05). All cements had lower porosity after PBS (p < .05). Cchi and Chap had similar porosity reduction (p > .05), and were higher than MTA, C, and Czio (p < .05). Cchi had higher bond‐strength than the other groups (p < .05). PBS samples had higher bond‐strength (p < .05). All cements had hydroxyapatite deposition and the chitosan blend had the lowest porosity and the highest bond‐strength.
The phylogenetic position of Arhaphe deviatica within Hemipteran insects: A potential model species for eco‐devo studies of symbiosis
Authors: Abdel‐Gaber Rewaida , Alajmi Reem , Haddadi Rania , El‐Ashram Saeed
Published: December 2020

Insecta is known to be the most diverse group of species, exhibiting numerous forms of endosymbiotic associations. Molecular techniques have provided significant indicators for insect–microbe interactions. The present study aimed to register one of the true bugs of pentatomomorpha and clarify its taxonomic position through phylogenetic analysis of the partial 16S rRNA gene region. A maximum likelihood analysis retrieved a generally well‐supported phylogeny based on Tamura 3‐parameter model. Based on the partial mitochondrial 16S rRNA gene sequences, a phylogenetic study of suborder Heteroptera relationships within Hemipteras' order was constructed. Sequences of 221 bases of the 3ʹ end of the gene from 28 species within 16 families were analyzed. This analysis and bootstrap confidence revealed two major clades comprising four suborders within Hemiptera, with a close relationship between Heteroptera + (Sternorrhyncha + (Auchenorrhycha + Coleorrhyncha)). Infraorder Pentatomomorpha is forming a sister group with a substantial bootstrap value to Cimicomorpha. Pyrrhocoroidea forms a sister relationship with Lygaeoidea + Coreoidea. There is a close relationship between Largidae and Pyrrhocoridae within Pyrrhocoroidea. The results show that the present species is firmly embedded in the genus Arhaphe with 94.35% sequence resemblance to its congeners. Besides, the recovered hemipteran species considered a potential model group for studying different symbionts. We propose both phylogenetic and ecological evolutionary developmental biology viewpoints for a more synthetic understanding of insect populations' molecular evolution.
Analysis of the chemical composition changes of Gardeniae Fructus before and after processing based on ultra‐high‐performance liquid chromatography quadrupole time‐of‐flight mass spectrometry
Authors: Li Wenjing , Ren Chenchen , Fei Chenghao , Wang Yulin , Xue Qianqian , Li Lin , Yin Fangzhou , Li Weidong
Published: December 2020

Gardeniae Fructus, the dry fruit of Gardenia jasminoides Ellis, has been widely used for the treatment of different diseases. Although four types of processed Gardeniae Fructus products, characterized by differing effects, are available for clinical use, little is known regarding the respective processing mechanisms. In this study, ultra‐high‐performance liquid chromatography quadrupole time‐of‐flight mass spectrometry combined with multivariate statistical analysis was applied to characterize the chemical profiles of the differently processed Gardeniae Fructus products and to determine differences in their chemical compositions, thereby enabling us to identify those active compounds associated with the observed clinical effects. A total of 125 compounds were accordingly identified, among which, 56 were established as primary contributors to the significant differences (P < 0.01) between crude and processed Gardeniae Fructus, based on t‐test analysis. Furthermore, the potential mechanisms underlying the chemical transformations that occurred during processing were discussed. The findings of this study may not only contribute to the more effective quality control of Gardeniae Fructus but also provide basic information for elucidating the mechanisms underlying the changes in chemical constituents in response to processing, and provide a basis for further investigations of Gardeniae Fructus processing mechanisms.
Evaluating the Performance of Methods Used to Estimate Growth Parameters from Subsampled Age Data
Authors: Lusk Sean C. , Middaugh Christopher R. , Ogle Derek H.
Published: December 2020

Due to time and resource limitations, the growth of many fish species is evaluated with age and length data in a length-stratified subsample of a sample from a population. Some fisheries professionals draw inferences about growth using age and length data from only those fish that were actually aged (aged-only method). Alternatively, growth may be evaluated by employing a method of incorporating the length-stratified aged subsample with information from the entire sample of fish collected, such as the weighted-mean and assigned-age methods, which are commonly used in inland fisheries management. More recently, two prominent alternatives to those methods have emerged: the reweighting and empirical proportion methods. In this study, we used observed data from three freshwater fish species with different life history traits (short- to long-lived) to inform a simulation model comparing estimated von Bertalanffy growth model parameters and predicted mean lengths at age calculated using the five aforementioned methods across a range of sample sizes per length-group and a range of CVs. As expected, our results demonstrated that the aged-only method is unreliable and biased when estimating von Bertalanffy parameters and mean lengths at age. The weighted-mean method performed better than the aged-only method but was not among the top-performing methods. The assigned-age, reweighting, and empirical proportion methods all performed well and produced similar estimates, although the empirical proportion method generally resulted in slightly more precise and less biased estimates. We recommend that fisheries professionals discontinue their use of the aged-only and weighted-mean methods and instead use the assigned-age, reweighting, or empirical proportion method.
A machine learning compatible method for ordinal propensity score stratification and matching
Authors: Greene Thomas J. , DeSantis Stacia M. , Brown Derek W. , Wilkinson Anna V. , Swartz Michael D.
Published: December 2020

Although machine learning techniques that estimate propensity scores for observational studies with multivalued treatments have advanced rapidly in recent years, the development of propensity score adjustment techniques has not kept pace. While machine learning propensity models provide numerous benefits, they do not produce a single variable balancing score that can be used for propensity score stratification and matching. This issue motivates the development of a flexible ordinal propensity scoring methodology that does not require parametric assumptions for the propensity model. The proposed method fits a one‐parameter power function to the cumulative distribution function (CDF) of the generalized propensity score (GPS) vector resulting from any machine learning propensity model, and is henceforth called the GPS‐CDF method. The estimated parameter from the GPS‐CDF method, , is a scalar balancing score that can be used to group similar subjects in outcome analyses. Specifically, subjects who received different levels of the treatment are stratified or matched based on their value to produce unbiased estimates of the average treatment effect (ATE). Simulation studies presented show remediation of covariate balance, minimal bias in ATEs, and maintain coverage probability. The proposed method is applied to the Mexican‐American Tobacco use in Children (MATCh) study to determine whether an ordinal treatment of exposure to smoking imagery in movies causes cigarette experimentation in Mexican‐American adolescents.
An improved correlation for reliable assessment of the detonation performance of non‐ideal explosives containing metals and the other solid particulates
Authors: Jafari Mohammad , Hossein Keshavarz Mohammad , Reza Motamedi Mohammad , Hesamodin Hosseini Seyyed
Published: December 2020

Explosives containing metals and the other solid particulates have wide applications in air‐blast and underwater explosives. Due to the non‐ideal behavior of these explosives, available complex computer codes and empirical methods cannot usually provide a reliable estimation of their detonation velocity. Large experimental data of detonation velocity (392 experimental data) corresponding various types of ideal and non‐ideal explosives were collected from different sources to derive a general correlation. The new model assumes partial secondary reactions of metal and active particulates with gaseous products. Optimum values of different products are obtained by maximizing the coefficient of determination (R2) of the correlation and minimizing the mean absolute percentage error (MAPE) of the calculated results from experimental values of detonation velocities. The MAPE values of the new model and one of the best available methods are 3.55 and 11.16 respectively, for 90 non‐ideal explosives, which confirm much high reliability of the new method.
First Approaches to Automatically Diagnose and Reconfigure Hybrid Cyber-Physical Systems
Authors: Diedrich Alexander , Balzereit Kaja , Niggemann Oliver
Published: December 2020

Maintaining modern production machinery requires a significant amount of time and money. Still, plants suffer from expensive production stops and downtime due to faults within individual components. Often, plants are too complex and generate too much data to make manual analysis and diagnosis feasible. Instead, faults often occur unnoticed, resulting in a production stop. It is then the task of highly-skilled engineers to recognise and analyse symptoms and devise a diagnosis. Modern algorithms are more effective and help to detect and isolate faults faster and more precise, thus leading to increased plant availability and lower operating costs.

In this paper we attempt to solve some of the described challenges. We describe a concept for an automated framework for hybrid cyberphysical production systems performing two distinct tasks: 1) fault diagnosis and 2) reconfiguration. For diagnosis, the inputs are connection and behaviour models of the components contained within the system and a model describing their causal dependencies. From this information the framework is able to automatically derive a diagnosis provided a set of known symptoms. Taking the output of the diagnosis as a foundation, the reconfiguration part generates a new configuration, which, if applicable, automatically recovers the plant from its faulty state and resumes production. The described concept is based on predicate logic, specifically Satisfiability-Modulo-Theory. The input models are transformed into logical predicates. These predicates are the input to an implementation of Reiter’s diagnosis algorithm, which identifies the minimum-cardinality diagnosis. Taking this diagnosis, a reconfiguration algorithm determines a possible, alternative control, if existing. Therefore the current system structure described by the connection and component models is analysed and alternative production plans are searched. If such an alternative plan exists, it is transmitted to the control of the system. Otherwise, an error that the system is not reconfigurable is returned.
Improvement of the prediction quality of electrical load profiles with artificial neural networks
Authors: Bauer Fabian , Hagner Jessica , Bretschneider Peter , Klaiber Stefan
Published: December 2020

Against the backdrop of the economically and ecologically optimal management of electrical energy systems, accurate predictions of consumption load profiles play an important role. On this basis, it is possible to plan and implement the use of controllable energy generation and storage systems as well as energy procurement with the required lead-time, taking into account the technical and contractual boundary conditions.

The recorded electrical load profiles will increase considerably in the course of the digitization of the energy industry. In order to make the most accurate predictions possible, it is necessary to develop and investigate models that take account of the growing quantity structure and, due to the significantly higher number of observations, improve the forecasting quality as far as possible.

Artificial neural networks (ANN) are increasingly being used to solve non-linear problems for a growing amount of data that is affected by human and other unpredictable influences. Consequently, the model approach of an ANN is chosen for predicting load profiles. Aim of the thesis is the simulative investigation and the evaluation of the quality and optimality of a prediction model based on an ANN for electrical load profiles.
Deep Learning in Resource and Data Constrained Edge Computing Systems
Authors: Sharma Pranav , Rüb Marcus , Gaida Daniel , Lutz Heiko , Sikora Axel
Published: December 2020

To demonstrate how deep learning can be applied to industrial applications with limited training data, deep learning methodologies are used in three different applications. In this paper, we perform unsupervised deep learning utilizing variational autoencoders and demonstrate that federated learning is a communication efficient concept for machine learning that protects data privacy. As an example, variational autoencoders are utilized to cluster and visualize data from a microelectromechanical systems foundry. Federated learning is used in a predictive maintenance scenario using the C-MAPSS dataset.
Lower Semi-frames, Frames, and Metric Operators
Authors: Antoine J.-P. , Corso R. , Trapani C.
Published: December 2020

This paper deals with the possibility of transforming a weakly measurable function in a Hilbert space into a continuous frame by a metric operator, i.e., a strictly positive self-adjoint operator. A necessary condition is that the domain of the analysis operator associated with the function be dense. The study is done also with the help of the generalized frame operator associated with a weakly measurable function, which has better properties than the usual frame operator. A special attention is given to lower semi-frames: indeed, if the domain of the analysis operator is dense, then a lower semi-frame can be transformed into a Parseval frame with a (special) metric operator.
The Tschantz and the alvin higher conditions are equivalent in congruence distributive varieties
Authors: Lipparini Paolo
Published: December 2020

We show that, under the assumption of congruence distributivity, a condition by S. Tschantz characterizing congruence modularity is equivalent to a variant of the classical Jónsson condition. Here equivalence is intended in a strong sense, to the effect that the corresponding sequences of terms have exactly the same length.
Dynamical C*-algebras and Kinetic Perturbations
Authors: Buchholz Detlev , Fredenhagen Klaus
Published: December 2020

The framework of dynamical C*-algebras for scalar fields in Minkowski space, based on local scattering operators, is extended to theories with locally perturbed kinetic terms. These terms encode information about the underlying spacetime metric, so the causality relations between the scattering operators have to be adjusted accordingly. It is shown that the extended algebra describes scalar quantum fields, propagating in locally deformed Minkowski spaces. Concrete representations of the abstract scattering operators, inducing this motion, are known to exist on Fock space. The proof that these representers also satisfy the generalized causality relations requires, however, novel arguments of a cohomological nature. They imply that Fock space representations of the extended dynamical C*-algebra exist, involving linear as well as kinetic and pointlike quadratic perturbations of the field.