bluuebunny/crossref_metadata_2025_split huggingface dataset:
Mapping the optoelectronic property space of small aromatic molecules
Authors: Wilbraham Liam , Smajli Denisa , Heath-Apostolopoulos Isabelle , Zwijnenburg Martijn A. 
Published: February 2020

AbstractSmall aromatic molecules and their quinone derivatives find use in organic transistors, solar-cells, thermoelectrics, batteries and photocatalysts. These applications exploit the optoelectronic properties of these molecules and the ease by which such properties can be tuned by the introduction of heteroatoms and/or the addition of functional groups. We perform a high-throughput virtual screening using the xTB family of density functional tight-binding methods to map the optoelectronic property space of ~250,000 molecules. The large volume of data generated allows for a broad understanding of how the presence of heteroatoms and functional groups affect the ionisation potential, electron affinity and optical gap values of these molecular semiconductors, and how the structural features – on their own or in combination with one another – allow access to particular regions of the optoelectronic property space. Finally, we identify the apparent boundaries of the optoelectronic property space for these molecules: regions of property space that appear off limits for any small aromatic molecule.
Interference of pH buffer with Pb2+-peripheral domain interactions: obstacle or opportunity?
Authors: Katti Sachin , Igumenova Tatyana I 
Published: February 2020

AbstractPb2+ is a xenobiotic metal ion that competes for Ca2+-binding sites in proteins. Using the peripheral Ca2+-sensing domains of Syt1, we show that the chelating pH buffer Bis–Tris enables identification and functional characterization of high-affinity Pb2+ sites that are likely to be targeted by bioavailable Pb2+.
Probabilistic fibre-to-target assignment algorithm for multi-object spectroscopic surveys
Authors: Tempel E. , Norberg P. , Tuvikene T. , Bensby T. , Chiappini C. , Christlieb N. , Cioni M.-R. L. , Comparat J. , Davies L. J. M. , Guiglion G. , Koch A. , Kordopatis G. , Krumpe M. , Loveday J. , Merloni A. , Micheva G. , Minchev I. , Roukema B. F. , Sorce J. G. , Starkenburg E. , Storm J. , Swann E. , Thi W. F. , Traven G. , de Jong R. S. 
Published: February 2020

Context. Several new multi-object spectrographs are currently planned or under construction that are capable of observing thousands of Galactic and extragalactic objects simultaneously.
Aims. In this paper we present a probabilistic fibre-to-target assignment algorithm that takes spectrograph targeting constraints into account and is capable of dealing with multiple concurrent surveys. We present this algorithm using the 4-m Multi-Object Spectroscopic Telescope (4MOST) as an example.
Methods. The key idea of the proposed algorithm is to assign probabilities to fibre-target pairs. The assignment of probabilities takes the fibre positioner’s capabilities and constraints into account. Additionally, these probabilities include requirements from surveys and take the required exposure time, number density variation, and angular clustering of targets across each survey into account. The main advantage of a probabilistic approach is that it allows for accurate and easy computation of the target selection function for the different surveys, which involves determining the probability of observing a target, given an input catalogue.
Results. The probabilistic fibre-to-target assignment allows us to achieve maximally uniform completeness within a single field of view. The proposed algorithm maximises the fraction of successfully observed targets whilst minimising the selection bias as a function of exposure time. In the case of several concurrent surveys, the algorithm maximally satisfies the scientific requirements of each survey and no specific survey is penalised or prioritised.
Conclusions. The algorithm presented is a proposed solution for the 4MOST project that allows for an unbiased targeting of many simultaneous surveys. With some modifications, the algorithm may also be applied to other multi-object spectroscopic surveys.
Bimodal distribution of the solar wind at 1 AU
Authors: Larrodera C. , Cid C. 
Published: February 2020

Aims.Here we aim to separate the two main contributions of slow and fast solar wind that appear at 1 AU.Methods.The bi-Gaussian function is proposed as the probability distribution function of the two main components of the solar wind. The positions of the peaks of every simple Gaussian curve are associated with the typical values of every contribution to solar wind. We used the entire data set from the Advanced Composition Explorer (ACE) mission in an analysis of the data set as a whole and as yearly series. Solar cycle dependence is considered to provide more accurate results for the typical values of the different parameters.Results.The distribution of the solar wind at 1 AU is clearly bimodal, not only for velocity, but also for proton density, temperature and magnetic field. New typical values for the main parameters of the slow and fast components of the solar wind at 1 AU are proposed.
Orbitale Entzündung: aktuelle Trends
Authors: Pitz Susanne 
Published: February 2020

ZusammenfassungIn das Feld der idiopathischen orbitalen Entzündung ist „Bewegung“ gekommen: Mit der Erstbeschreibung der IgG4-assoziierten Erkrankung vor etwa 10 Jahren ist die Gruppe der idiopathischen Läsionen um etwa die Hälfte geschrumpft. Die Differenzialdiagnose ist deutlich anspruchsvoller geworden, weil die klinische und bildgebende Überlappung dieser Krankheitsbilder erheblich ist. Der vorliegende Artikel gibt einen Überblick über dieses im Umbruch befindliche Feld.
Lösungsmöglichkeiten bei fehlgeschlagenen Osteosynthesen an der Hand
Authors: Langer Martin F. , Raschke Michael J. 
Published: February 2020

ZusammenfassungFür Revisionsoperationen bei Osteosynthesen der Hand braucht der Chirurg viel Kreativität, Erfahrung und technisches Geschick. Die Osteosynthesen im karpalen Bereich benötigen Stabilität und Ruhe, während die Osteosynthesen an den Fingern Stabilität für eine frühzeitige Beübung benötigen. Die Stabilität an den Fingern muss so erreicht werden, dass die Weichteile nicht kompromittiert werden. Hier werden einige der Lösungsmöglichkeiten im karpalen, metakarpalen und phalangealen Bereich vorgestellt.
Performance of two Methods for Cardiac MRI Edema Mapping: Dual-Contrast Fast Spin-Echo and T2 Prepared Balanced Steady State Free Precession
Authors: Krumm Patrick , Martirosian Petros , Rath Dominik , Gawaz Meinrad , Nikolaou Konstantin , Klumpp Bernhard Daniel , Hornung Andreas , Kramer Ulrich , Schick Fritz , Geisler Tobias , Zitzelsberger Tanja 
Published: February 2020

Purpose To compare true positive and false negative results of myocardial edema mapping in two methods. Myocardial edema may be difficult to detect on cardiac MRI.Materials and Methods 76 patients (age 59 ± 11 years, 15 female) with acute myocardial infarction (MI) and 10 healthy volunteers were prospectively included in this single-center study. 1.5 T cardiac MRI was performed in patients 2.5 days after revascularization (median) for edema mapping: Steady State Free Precession (SSFP) mapping sequence with T2-preparation pulses (T2prep); and dual-contrast Fast Spin-Echo (dcFSE) signal decay edema mapping. Late gadolinium enhancement (LGE) was used as the reference for expected edema in acute MI.Results 311 myocardial segments in patients were acutely infarcted with mean T2 73 ms for T2prep SSFP vs. 87 ms for dcFSE edema mapping. In healthy volunteers the mean T2 was 56 ms for T2prep SSFP vs. 50 ms for dcFSE edema mapping. Receiver operating characteristic (ROC) curve for T2prep SSFP show area under the curve (AUC) 0.962, p < 0.0001, Youden index J 0.8266, associated criterion > 60 ms, sensitivity 94 %, specificity 89 %. dcFSE ROC AUC 0.979, p < 0.0001, J 0.9219, associated criterion > 64 ms, sensitivity 93 %, specificity 99 %.Conclusion Both edema mapping methods indicate high-grade edema with high sensitivity. Nevertheless, edema in acute infarction may be focally underestimated in both mapping methods.Key Points: Citation Format
Imaging in Obstructive Jaundice: What a Radiologist Needs to Know before Doing a Percutaneous Transhepatic Biliary Drainage
Authors: Gupta Pankaj , Gupta Jyoti , Kumar-M Praveen 
Published: February 2020

AbstractPercutaneous transhepatic biliary drainage (PTBD) is one of the commonly performed biliary interventions. In patients with obstructive jaundice, PTBD may be a lifesaving emergency procedure or may serve as an alternative intervention in patients who fail to undergo endoscopic drainage or those who are too sick to be considered for endoscopic drainage. The key factor in technical and clinical success of PTBD is a thorough preprocedure imaging evaluation. In this review, we highlight the imaging aspects that should be evaluated and reported by a radiologist when evaluating a patient planned for biliary drainage.
Periorbital Inner Canthal Arteriovenous Malformations: Percutaneous Glue Embolization in Three Cases
Authors: Nagarajan Krishnan , Babu Arul A. S. , Sabarish Sekar , Elango Swamiappan , Babu Krishna Ramesh , Saxena Sunil Kumar 
Published: February 2020

AbstractInner canthal or palpebral arteriovenous malformations (AVMs) are uncommon and difficult lesions to treat if they are of high-flow type. Though they may present with mainly cosmetic reasons, they derive feeders from the ophthalmic artery and are associated with dangerous anastomoses. Percutaneous liquid embolic agent has been used to treat various head and neck vascular malformations and tumors and, if done in meticulous attention to detail, can offer cure or control before surgical excision. We report three adults who presented with medial canthal swelling and on imaging diagnosed to have high-flow AVMs. They underwent percutaneous n-butyl cyanoacrylate (glue) embolization and subsequently operated to excise the embolized malformation without any blood loss or complications.
Cerebral Proliferative Angiopathy: An Uncommon and Misdiagnosed Entity
Authors: Tiwari Sarbesh , Garg Pawan K. , Khera Pushpinder S. , Babu Santhosh , Sureka Binit , Yadav Taruna 
Published: February 2020

AbstractCerebral proliferative angiopathy (CPA), previously known as diffuse nidus-type arteriovenous malformation (AVM) is an entity distinct from cerebral AVM, characterized by multiple small arterial feeders, large-size nidus involving entire lobe or hemisphere, and no early draining veins with normal brain parenchyma interspersed between the abnormal vessels. It is usually seen in younger age group and is more common in females. We hereby report a case of diffuse cerebral proliferative angiopathy in a 29-year-old man who presented with intracranial hemorrhage. It is important to recognize this entity to avoid aggressive treatment, thus preventing permanent damage to the normal intermingled brain tissue.
Comparative Fluoride Release and Antimicrobial Analysis of Commercial and Experimental Bioactive Glass/Nano-Oxide-Based Dentifrices
Authors: Gul Hashmat , Nayyer Maleeha , Gilani Mehreen , Aman Nadia , Azad Azad Ali , Shah Asma Tufail , Chaudhry Aqif Anwar , Kaleem Muhammad , Khan Abdul Samad 
Published: February 2020

Abstract
Objectives The objectives were to measure fluoride release and assess the antimicrobial behavior of fluoride-doped nano bioactive glass (F-nBG) and nano zinc oxide (ZnO)-enriched novel dentifrices.
Materials and Methods Experimental dentifrices were synthesized by incorporating ZnO nanoparticles and F-nBG (1.5 wt% and 4 wt%) as active ingredients. The fluoride release behavior of suspensions and elutes of samples were analyzed by ion selective electrode. Antimicrobial activity and minimum bactericidal concentration against Streptococcus mutans and Lactobacillus casei were evaluated. Microbial stability against contamination was also assessed by a challenge test.
Results The fluoride release behavior of experimental dentifrices was higher than that of commercial dentifrices and was dependent on filler loading. The fluoride release was more from suspensions than elutes. Zones of inhibition (ZOIs) and minimum bactericidal concentration values for novel dentifrices showed direct proportionality with filler loading, and effectiveness was exhibited against both strains. Experimental dentifrices exhibited effective antibacterial potential, which could possibly be due to release of sufficient fluoride and zinc ions in aqueous media from F-nBG and ZnO present in their formulations.
Conclusion Combination of F-nBG and ZnO may provide a multi-benefit approach for simultaneously treating early white spot lesions, reducing bacterial growth, and providing core plaque control.
Higher Component Malposition Rates with Patient-Specific Cruciate Retaining TKA than Contemporary Posterior Stabilized TKA
Authors: Kumar Prakrit , Elfrink Jacob , Daniels James P. , Aggarwal Ajay , Keeney James A. 
Published: February 2020

AbstractCustomized individually manufactured total knee arthroplasty (CIM-TKA) was developed to improve kinematic total knee arthroplasty (TKA) performance. Component placement accuracy may influence the success of CIM-TKA designs. We performed this study to compare radiographic component alignment and revision rates of a cruciate retaining (CR) CIM-TKA and a contemporary posterior stabilized TKA (PS-TKA). After obtaining Institutional Review Board approval, we identified 94 CR CIM-TKAs (76 patients) and 91 PS-TKAs (82 patients) performed between July 1, 2013 and December 31, 2014 with a minimum 2-year follow-up (mean 41.1 months, range 24–59 months). We performed a retrospective electronic medical record review to identify patient demographic characteristics and revision procedures performed. Postoperative plain radiographs were reviewed to assess component alignment including cruciate ligament imbalance, femoral overhang, and femoral notching. Demographic characteristics, component malalignment, and revision surgery rates were assessed using a student's t-test or two-tailed Fisher's exact test, with a p-value < 0.05 designating significance. Technical errors were more commonly identified with CR CIM-TKA (29.8 vs. 9.9%, p < 0.001), including higher rates of tibiofemoral instability (13.8 vs. 1.1%, p < 0.01), femoral notching (12.8 vs. 3.3%, p = 0.03), and patellofemoral malalignment (20.2 vs. 7.7%, p = 0.02). CR CIM-TKA had more frequent coronal plane malposition (26.6 vs. 9.9%, p < 0.01) or sagittal plane reconstruction > 3 degrees outside of an optimized range (20.2 vs. 9.9%, p = 0.06). Aseptic revisions occurred more frequently with the CR CIM-TKA design (9.6 vs. 3.3%, p = 0.13). Demographic characteristics were not significantly different between the treatment groups. CR CIM-TKA may improve kinematic performance for patients undergoing knee replacement surgery. However, our study observations suggest that careful attention to surgical technique is important for optimizing implant survivorship with the CR CIM-TKA design. Additional study is needed to determine whether higher revision rates identified during this study are related to patient selection, surgical technique, or implant design.
The significance of the adversative connectives aber, mais, ma (‘but’) as indicators in young
children’s argumentation
Authors: Rocci Andrea , Greco Sara , Schär Rebecca , Convertini Josephine , Perret-Clermont Anne-Nelly , Iannaccone Antonio 
Published: February 2020

Abstract
Adversative connectives have been analyzed as articulating explicit and implicit facets of argumentative moves and
have been thus recognized as potential argumentative indicators. Here we examine adversative connectives Ger.
aber, Fr. mais, It. ma (‘but’) in young children’s speech in the context of
the ArgImp project, a research endeavor seeking to understand in which situations children aged between two and six years engage
in argumentation and how their contributions are structured. Two multilingual corpora have been collected for the project: (1)
everyday family conversations, (2) semi-structured play activities and problem solving in a kindergarten setting. Through the
detailed analysis of a small collection of examples, we consider the indicative potential of adversative connectives for
identifying argumentative episodes in interactions involving young children and for the reconstruction of the inferential
configurations of children’s contributions to these argumentative discussions. The results show that fully fledged argumentative
interpretations of adversatives occur as a possibility in children’s speech, and that adversative connectives can be used
profitably to identify less apparent argumentative confrontations and implicit standpoints in children’s speech.
Implicit argumentation and persuasion
Authors: Lombardi Vallauri Edoardo , Baranzini Laura , Cimmino Doriana , Cominetti Federica , Coppola Claudia , Mannaioli Giorgia 
Published: February 2020

Abstract
The paper provides evidence that linguistic strategies based on the implicit encoding of information are effective
means of deceptive argumentation and manipulation, as they can ease the acceptance of doubtful arguments by distracting
addressees’ attention and by encouraging shallow processing of doubtful contents. The persuasive and manipulative functions of
these rhetorical strategies are observed in commercial and political propaganda. Linguistic implicit strategies are divided into
two main categories: the implicit encoding of content, mainly represented by implicatures and vague expressions, and the implicit
encoding of responsibility, mainly represented by presuppositions and topics. The paper also suggests that the amount of
persuasive implicitness contained in texts can be measured. For this purpose, a measuring model is proposed and applied to some
Italian political speeches. The possible social usefulness of this approach is showed by sketching the operation of a website in
which the measuring model is used to monitor contemporary political speeches.
Grammaticalization of reflexivity in Basque
Authors: Salaberri Iker 
Published: February 2020

AbstractThe purpose of this paper is to provide a detailed overview of the changes undergone by the reflexiveburu-construction in Basque under the light of grammaticalization theory. On the basis of quantitative historical data, the reflexive construction is argued to have undergone changes predicted by the grammaticalization path of reflexive markers: the distinction between regular and reflexive possessive pronouns is lost; anaphoric, non-reflexive uses ofburudisappear; and number agreement between the subject andburuis no longer obligatory. Theburu-construction is furthermore argued to have become more prevalent at the expense of other reflexivization strategies. As opposed to these changes, the reflexive construction seems to have degrammaticalized as well: the number of direct object uses of this construction decreases over time, and it occurs in subject position with more predicates in present-day written Basque than in the historical period. In view of these facts, an argument is made against unidirectional conceptions of grammaticalization. External motivations for these developments, such as the standardization of the language, are also considered.
Seasonal metaphors in Arab journalistic discourse
Authors: Chatti Sami 
Published: February 2020

Abstract
The rhetorical fabric of the recent Arab uprisings resorts to mythology and metaphoricity to elicit an ideologically-biased polarization of the popular revolts. Building on some striking resemblances the Greek myth of Persephone and the journalistic construction of the Arab revolts hold in common, this paper delves into the oblique parallelism that informs the use of seasonal metaphors to serve ideological functions. The analysis of this pragmatic aspect of metaphorical structuring elaborates on findings of a corpus study, focusing on the collocational tendencies of the Arab Spring and Arab Autumn metaphors in Tunisian and Saudi press outlets. Empirical results show that the anti-revolts agenda selects negatively valued collocates to occur with the Arab Autumn metaphor, whereas the pro-revolts ideology recruits positively-valued lexis to mirror the emancipatory journey voiced by the Arab Spring trope. The paper uses a blend of cognitive theories of metaphor with research from a critical metaphor perspective to elucidate the ideologies which motivate and guide the figurative construal of the popular uprisings in Arab journalistic discourse.
Metaphors in communication about pregnancy loss
Authors: Littlemore Jeannette , Turner Sarah 
Published: February 2020

Abstract
Pregnancy loss, encompassing miscarriage, stillbirth and termination for foetal abnormality, can be considered a
particularly intense and unique form of bereavement, which engenders difficult or painful emotions. When people are talking about
such emotions, they have been found to make extensive use of metaphor (Semino, 2011).
In this paper, we use metaphor analysis of a small corpus of interviews with individuals in England who have suffered such losses,
and people who support them, to explore the nature of the bereavement. In particular, we focus on the ways in which metaphor is
used to describe the experience of the loss, the effects that this loss has on people’s conceptions of themselves and their
bodies, and the implications this has for recovery. We identify a number of characteristics that can lead the bereaved to
conceptualise their realities in different ways, which have implications for the grieving process, the ways in which people
respond to their grief, and ultimately their recovery.
Un análisis sociofonético de la aspiración de las oclusivas sordas en el español guatemalteco monolingüe y bilingüe (español-kaqchikel)
Authors: McKinnon Sean 
Published: February 2020

ResumenEl estudio empírico de la sociofonética del español en contacto con otras lenguas ha aumentado en la última década. Siguiendo con esta área de investigación, el presente estudio examina la aspiración de las oclusivas sordas en el español guatemalteco comparando los factores (extra-)lingüísticos que afectan a la variación en las comunidades monolingües y bilingües (español-kaqchikel), mediante el marco teórico de la sociolingüística comparativa (Poplack y Levey 2010). Los resultados demuestran que, en general, el VOT de esta muestra del español guatemalteco es más largo de lo que se ha descubierto para las variedades sin contacto, pero es paralelo al español en contacto con el maya yucateco (Michnowicz y Carpenter 2013). Aunque, mayoritariamente, los factores lingüísticos afectaron a la variación del VOT, el sexo biológico también resultó relevante. Se discutirán tres puntos clave que señalan la posibilidad de contacto lingüístico como causa, pero se necesitan investigaciones futuras para confirmar definitivamente los efectos del contacto.
Las perífrasis modales con deber en el español actual
Authors: Criado de Diego Cecilia , San Mateo Valdehíta Alicia 
Published: February 2020

Resumen
Las Academias de la lengua establecen prescripciones y recomendaciones sobre el uso de las perífrasis verbales con
deber cuyo cumplimiento en el español actual se ha visto cuestionado por algunos lingüistas, como Blas Arroyo (2013) y Gómez Molina (2013),
entre otros. Analizamos, en el Corpus del Español del Siglo XXI, el uso de deber (de) + infinitivo
(n = 3364) para expresar las modalidades epistémica y deóntica, y su posible condicionamiento por factores
lingüísticos, estilísticos y geográficos. Los resultados muestran que la norma académica, ya sea estricta o moderada, es acorde
con la realidad de la lengua únicamente en la expresión de la modalidad deóntica. Asimismo, los usos no recomendados se ven
favorecidos por la oralidad, por algunos tiempos verbales, como el presente de indicativo en la modalidad epistémica y el
condicional simple en la modalidad deóntica, y por la procedencia dialectal de los hablantes.