bluuebunny/crossref_metadata_2025_split huggingface dataset:
FoldAffinity: binding affinities from nDSF experiments
Authors: Niebling Stephan , Burastero Osvaldo , Bürgi Jérôme , Günther Christian , Defelipe Lucas A. , Sander Simon , Gattkowski Ellen , Anjanappa Raghavendra , Wilmanns Matthias , Springer Sebastian , Tidow Henning , García-Alai María 
Published: May 2021

AbstractDifferential scanning fluorimetry (DSF) using the inherent fluorescence of proteins (nDSF) is a popular technique to evaluate thermal protein stability in different conditions (e.g. buffer, pH). In many cases, ligand binding increases thermal stability of a protein and often this can be detected as a clear shift in nDSF experiments. Here, we evaluate binding affinity quantification based on thermal shifts. We present four protein systems with different binding affinity ligands, ranging from nM to high μM. Our study suggests that binding affinities determined by isothermal analysis are in better agreement with those from established biophysical techniques (ITC and MST) compared to apparent Kds obtained from melting temperatures. In addition, we describe a method to optionally fit the heat capacity change upon unfolding ($$\Delta {C}_{p}$$

Δ

C
p

) during the isothermal analysis. This publication includes the release of a web server for easy and accessible application of isothermal analysis to nDSF data.
The ratio of T790M to EGFR-activating mutation predicts response of osimertinib in 1st or 2nd generation EGFR-TKI-refractory NSCLC
Authors: Tamiya Motohiro , Tamiya Akihiro , Okamoto Norio , Taniguchi Yoshihiko , Nishino Kazumi , Atagi Shinji , Hirashima Tomonori , Imamura Fumio , Kumagai Toru , Suzuki Hidekazu 
Published: May 2021

AbstractThe most frequent mechanism of resistance after 1st/2nd-generation (G) epidermal growth factor receptor (EGFR)-tyrosine kinase inhibitors (TKIs) is secondary point mutation Thr790Met (T790M) in EGFR. Afatinib followed by osimertinib (Afa group) may provide better outcomes for T790M-positive non-small cell lung cancer (NSCLC) than 1st-G EGFR-TKI followed by osimertinib (1st-G group). We studied 111 consecutive NSCLC patients with T790M mutation treated with osimertinib after progression following 1st/2nd-G EGFR-TKI between March 28, 2016 and March 31, 2018. We analyzed the ratio of T790M to EGFR-activating mutation (T790M ratio) in post EGFR-TKI resistance re-biopsy tissue using droplet digital polymerase chain reaction. And investigated whether afatinib purified the T790M mutation more than 1st-G EGFR-TKI. Among 60 patients with preserved re-biopsy tissue, we analyzed 38 having adequate DNA content. The response rate in Afa group was 81.8% (n = 11) and 1st-G group was 85.2% (n = 27). The mean T790M ratio in total population was 0.3643. The ratio in those with response to osimertinib was significantly higher than in the non-responders (0.395, 0.202; p = 0.0231) and was similar in Afa and 1st-G group (0.371, 0.362; p = 0.9693). T790M ratio significantly correlated with osimertinib response and was similar between the 1st/2nd-G EGFR-TKIs in 1st/2nd-G EGFR-TKI-refractory tumors.
Enabling exercise prescription for survivors of cancer
Authors: White Katherine R. , Lu Jana , Ibrahim Zara , Furth Priscilla A. 
Published: May 2021

AbstractAlthough exercise is widely recommended for survivors of cancer, readily implementable approaches for evaluating exercise tolerance enabling exercise prescriptions at appropriate levels of cardiovascular exertion are not always available. We evaluated the utility of modified Harvard Step tests within the context of a standard physical examination for fitness evaluation and exercise prescription for survivors of cancer across a range of age, BMI and exercise history. While 52% of presenting individuals with a past cancer diagnosis were able to complete a 3-min test at pace with a reduced 9-in. step, adoption of self-determined pacing, test duration and completion on a flat surface enabled relative fitness rating and appropriate exercise prescription for the remaining survivors. Younger age and more vigorous exercise histories correlated with completion of the standard 3-min test at pace, but all 9-in. formats led to exercise prescriptions more vigorous than current activity. The physical examination setting expedited inclusion of core and specific muscle group strength testing. The approach is adaptable to a range of health care settings, providers, and patients, providing a shared opportunity for providers and patients to evaluate exercise tolerance. It can be used to further expand incorporation of exercise testing and prescription into routine care.
The use of spent coffee grounds and spent green tea leaves for the removal of cationic dyes from aqueous solutions
Authors: Jóźwiak Tomasz , Filipkowska Urszula , Struk-Sokołowska Joanna , Bryszewski Kamil , Trzciński Karol , Kuźma Joanna , Ślimkowska Monika 
Published: May 2021

AbstractThis study aimed to examine sorption effectiveness of cationic dyes: Basic Red 46 (BR46) and Basic Violet 10 (BV10) onto spent coffee ground (CG) and spent green tea leaves (GTL). The scope of the study included, i.a.: sorbent FTIR spectra analysis, determination of pH effect on dye sorption effectiveness, analysis of dye sorption kinetics, and determination of maximal sorption capacity of the sorbents. The effectiveness of BR46 sorption on the sorbents tested was the highest at pH 6 and that of BV10 at pH 3. Both sorbents caused changes in solution pH during the sorption process, due to the system tending to reach the pH value approximating the pHZPC (pHPZC = 7.55 for CG and pHPZC = 7.05 for GTL). The time needed to reach BR46 and BV10 sorption equilibrium onto CG and GTL ranged from 180 to 240 min. The intramolecular diffusion model demonstrated that the sorption of cationic dyes onto CG and GTL proceeded in three phases differing in the intensity and duration. The maximal sorption capacity of CG reached 179.4 mg/g for BR46 and 59.3 mg/g for BV10. The sorption capacity of GTL was lower and reached 58.0 mg/g for BR46 and 26.7 mg/g for BV10.
Aerodynamics of the newly approved football for the English Premier League 2020–21 season
Authors: Asai Takeshi , Hong Sungchan 
Published: May 2021

AbstractFootballs are typically constructed with 32 panels. Recently, the number of panels has been successively reduced to 14, 8, and 6 panels, and official balls have been adopted with complex panel shapes and aerodynamics that differ from those of 32-panel balls. The official ball for the 2020–21 season of the English Premier League comprises just four panels with a complex panel shape and surface groove design; however, its aerodynamics have not yet been clarified. This study aims to clarify the aerodynamic characteristics (drag, side force, lift force, their deviations, and critical Reynolds number) of the new 4-panel ball (Flight 2020, Nike) in comparison to a 6-panel ball (Tsubasa 2020, Adidas) and conventional 32-panel ball (Pelada 2020, Molten) using a wind tunnel test, surface design measurement, and a simple 2D flight simulation. The results showed that Flight 2020 has greater surface roughness and smaller critical Reynolds number than Pelada 2020 and Tsubasa 2020, resulting to its marginally greater drag force in the supercritical region, and slightly smaller fluctuations of the side and lift forces. Furthermore, Flight with a symmetrical orientation exhibits a significantly higher drag coefficient in the supercritical region, suggesting its greater air resistance during flight under this condition.
Influence of collagen fibre orientation on the frictional properties of articular cartilage
Authors: Yarimitsu Seido , Ito Kei , Fujie Hiromichi 
Published: May 2021

AbstractArticular cartilage has a unique collagen fibre network structure that exhibits both anisotropy and depth dependency. Collagen fibre orientation in a cross‐section parallel to the articular cartilage surface may affect the lubrication properties of articular cartilage. The effect of collagen fibre orientation on the frictional properties of articular cartilage was examined through finite element analysis of the friction. Specifically, a three‐dimensional fibre‐reinforced poroelastic biphasic model was used to determine the influence of collagen fibril orientation on the frictional properties of articular cartilage. The simulations reveal that collagen fibre orientation has a significant influence on the deformation behaviour of articular cartilage in front of and behind the contact area. The coefficient of dynamic friction was lower in the direction parallel to the collagen fibre orientation than in the direction perpendicular to the collagen fibre orientation, regardless of the indenter speed.
Retracted: Comparative analysis of distributive linear and nonlinear optimized spectrum sensing clustering techniques in cognitive radio network systems
Authors: Babu R Ganesh , Obaidat Mohammad S. , V Amudha , Manoharan Rajesh , R Sitharthan 
Published: May 2021

AbstractRetraction: “Comparative analysis of distributive linear and nonlinear optimized spectrum sensing clustering techniques in cognitive radio network systems” by authors Ganesh Babu R, Mohammad S. Obaidat, Amudha V, Rajesh Manoharan and Sitharthan R, IET Netw. 2021;1–11. https://doi.org/10.1049/ntw2.12027.The above article, published online on 5 May 2021 in Wiley Online Library (wileyonlinelibrary.com), has been retracted by agreement between the journal Editor‐in‐Chief, Han‐Chieh Chao and John Wiley and Sons Ltd . The retraction has been agreed due to evidence indicating that the peer review of this paper was compromised.
Catalogue of exoplanets accessible in reflected starlight to theNancy Grace RomanSpace Telescope
Authors: Carrión-González Ó. , García Muñoz A. , Santos N. C. , Cabrera J. , Csizmadia Sz. , Rauer H. 
Published: May 2021

Context.Reflected starlight measurements will open a new path in the characterization of directly imaged exoplanets. However, we still lack a population study of known targets to which this technique can be applied.Aims.We investigate which of the about 4300 exoplanets confirmed to date are accessible for theRomanSpace Telescope coronagraph in reflected starlight at reference wavelengthsλ= 575, 730, and 825 nm. We carry out a population study and also address the prospects for phase-curve measurements.Methods.We used the NASA Exoplanet Archive as a reference for planet and star properties and explored the effect of their uncertainties on the exoplanet detectability by applying statistical arguments. We defined a planet asRoman-accessible on the basis of the inner and outer working angles of the instrument and its minimum planet-to-star contrast (IWA, OWA, andCmin). We adopted three plausible configurations for these technical specifications, labeled pessimistic, intermediate, and optimistic. Our key outputs for each exoplanet are its probability of beingRoman-accessible (Paccess), the range of observable phase angles, the evolution of its equilibrium temperature, the number of days per orbit for which it is accessible, and its transit probability.Results.In the optimistic scenario, we find 26Roman-accessible exoplanets withPaccess> 25% and host stars brighter thanV= 7 mag. This population is biased towards planets more massive than Jupiter, but also includes the super-Earths tau Cet e and f, which orbit near the habitable zone of their star. Thirteen planets are part of multi-planetary systems. Three of these planets have known transiting companions, which offers opportunities for a contemporaneous atmospheric characterization. The intermediate and pessimistic scenarios yield ten and threeRoman-accessible exoplanets, respectively. We find that inclination estimates (e.g. with astrometry) are required to refine the detectability prospects.Conclusions.A science phase of the coronagraph instrument has a remarkable potential for characterizing the atmospheres of exoplanets that cannot be studied with other techniques.
Luminous efficiency based on FRIPON meteors and limitations of ablation models
Authors: Drolshagen E. , Ott T. , Koschny D. , Drolshagen G. , Vaubaillon J. , Colas F. , Zanda B. , Bouley S. , Jeanne S. , Malgoyre A. , Birlan M. , Vernazza P. , Gardiol D. , Nedelcu D. A. , Rowe J. , Forcier M. , Trigo-Rodriguez J. M. , Peña-Asensio E. , Lamy H. , Ferrière L. , Barghini D. , Carbognani A. , Di Martino M. , Rasetti S. , Valsecchi G. B. , Volpicelli C. A. , Di Carlo M. , Knapic C. , Pratesi G. , Riva W. , Stirpe G. M. , Zorba S. , Hernandez O. , Grandchamps A. , Jehin E. , Jobin M. , King A. , Sanchez-Lavega A. , Toni A. , Rimola A. , Poppe B. 
Published: May 2021

Context.In meteor physics, the luminous efficiencyτis used to convert the meteor’s magnitude to the corresponding meteoroid’s mass. However, a lack of sufficiently accurate verification methods or adequate laboratory tests mean that discussions around this parameter are a subject of controversy.Aims.In this work, we aim to use meteor data obtained by the Fireball Recovery and InterPlanetary Observation to calculate the luminous efficiencies of the recorded meteors. We also show the limitations of the methods presented herein.Methods.Deceleration-based formulas were used to calculate the masses of the pre-atmospheric meteoroids. These can in turn be compared to the meteor brightnesses to assess the luminous efficiencies of the recorded objects. Fragmentation of the meteoroids is not considered within this model. Good measurements of the meteor deceleration are required.Results.We findτ-values, as well as the shape change coefficients, of 294 meteors and fireballs with determined masses in the range of 10−6–100 kg. The derivedτ-values have a median ofτmedian= 2.17%. Most of them are of the order of 0.1–10%. We present how our values are obtained, compare them with data reported in the literature, and discuss several methods. A dependence ofτon the pre-atmospheric velocity of the meteor,ve, is noticeable with a relation of τ = 0.0023⋅ve2.3. Furthermore, a dependence ofτon the initial meteoroid mass,Me, is found with negative linear behaviour in log–log space: τ = 0.48⋅Me−0.47.Conclusions.The higher luminous efficiency of fast meteors could be explained by the higher amount of energy released. Fast meteoroids produce additional emission lines that radiate more efficiently in specific wavelengths due to the appearance of the so-called second component of higher temperature. Furthermore, the negative dependence ofτonMeimplies that the radiation of smaller meteoroids is more efficient. The results of this study also show the limitations of the ablation-based model for the determination of the luminous efficiency.
A near-infrared interferometric survey of debris-disk stars
Authors: Absil O. , Marion L. , Ertel S. , Defrère D. , Kennedy G. M. , Romagnolo A. , Le Bouquin J.-B. , Christiaens V. , Milli J. , Bonsor A. , Olofsson J. , Su K. Y. L. , Augereau J.-C. 
Published: May 2021

Context. Hot exozodiacal dust has been shown to be present in the innermost regions of an increasing number of main sequence stars over the past 15 yr. However, the origin of hot exozodiacal dust and its connection with outer dust reservoirs remains unclear.
Aims. We aim to explore the possible connection between hot exozodiacal dust and warm dust reservoirs (≥100 K) in asteroid belts.
Methods. We use precision near-infrared interferometry with VLTI/PIONIER to search for resolved emission at H-band around a selected sample of 62 nearby stars that show possible signs of warm dust populations.
Results. Our observations reveal the presence of resolved near-infrared emission around 17 out of 52 stars with sufficient data quality. For four of these, the emission is shown to be due to a previously unknown stellar companion. The 13 other H-band excesses are thought to originate from the thermal emission of hot dust grains, close to their sublimation temperature. Taking into account earlier PIONIER observations, where some stars with warm dust were also observed, and after re-evaluating the warm dust content of all our PIONIER targets through spectral energy distribution modeling, we find a detection rate of 17.1−4.6+8.1% for H-band excess around main sequence stars hosting warm dust belts, which is statistically compatible with the occurrence rate of 14.6−2.8+4.3% found around stars showing no signs of warm dust. After correcting for the sensitivity loss due to partly unresolved hot disks, under the assumption that they are arranged in a thin ring around their sublimation radius, we find tentative evidence at the 3σ level that H-band excesses around stars with outer dust reservoirs (warm or cold) could be statistically larger than H-band excesses around stars with no detectable outer dust.
Conclusions. Our observations do not suggest a direct connection between warm and hot dust populations at the sensitivity level of the considered instruments, although they bring to light a possible correlation between the level of H-band excess and the presence of outer dust reservoirs in general.
Der tiefe sternale Wundinfekt nach Sternotomie
Authors: Harder Yves , Krapf Johanna , Rieck Bernd , Schaefer Dirk J. , Djedovic Gabriel , Kutschka Ingo , Graf Karolin , Kneser Ulrich , Horch Raymund E. , Lehnhardt Marcus , Pierer Gerhard 
Published: May 2021

ZusammenfassungDer tiefe sternale Wundinfekt (TSWI) ist eine seltene Komplikation nach Sternotomie, die mit hoher Morbidität und Mortalität behaftet ist und Krankenhausaufenthalt sowie die Behandlungskosten signifikant ansteigen lässt. Eine mikrobiologische Besonderheit ist die Ausbildung von Biofilmen auf Implantatmaterial und/oder Knochensequestern. Die Diagnose wird anhand der klinischen Symptomatik der lokalen Entzündungsreaktion gestellt und durch systemische Infektionszeichen gestützt. Eine frühzeitige und gemeinsame Konsensfindung, welche die oft interdisziplinäre Behandlungsstrategie festlegt, ist dabei essenziell. Die Behandlung besteht i. d. R. aus mehreren chirurgischen Wunddebridements mit zwischenzeitlicher Wundkonditionierung, bis ein ausreichend sauberer Wundstatus erreicht ist. Zur Infektsanierung und für den Wundverschluss stehen je nach Größe und Lokalisation des Gewebedefektes eine Vielzahl verschiedener gestielter und freier Lappenplastiken zur Auswahl.
Photoredox-Enabled Decarboxylative Synthesis of Unnatural α-Amino Acids
Authors: Kärkäs Markus D. , Shatskiy Andrey 
Published: May 2021

AbstractRecently, development of general synthetic routes to unnatural α-amino acids has gained significant momentum, driven by the high demand for such building blocks in fundamental research within molecular and structural biology, as well as for development of new pharmaceuticals. Herein, we highlight the recent progress in employing photoredox-mediated synthetic methods for accessing unnatural α-amino acids with a focus on various decarboxylative radical-based strategies.
Cyanide Anions as Nucleophilic Catalysts in Organic Synthesis
Authors: Christoffers Jens , Kieslich David 
Published: May 2021

AbstractThe nucleophilic addition of a cyanide anion to a carbonyl group is the basis for several cyanide-catalyzed organic reactions, which are summarized in this review. Since cyanide is also a good leaving group, it is an excellent catalyst for transacylation reactions. As an electron-withdrawing group, it also stabilizes a negative charge in its α-position, thus allowing the umpolung of aldehydes to formyl anion equivalents. The two leading examples are the benzoin condensation and the Michael–Stetter reaction furnishing α-hydroxy ketones and 1,4-dicarbonyl compounds, which are both catalyzed by cyanides. The review also covers variants like the silyl-benzoin coupling, the aldimine coupling and the imino-Stetter reaction. Moreover, some cyanide-catalyzed heterocyclic syntheses are reviewed.1	Introduction2	Nucleophilic Additions2.1	Cyanohydrin Formation2.2	Corey–Gilman–Ganem and Related Oxidation Reactions2.3	Conjugate Addition2.4	Intramolecular Carbocyanation3	Transacylation Reactions3.1	Ester Hydrolysis and Transesterification3.2	Formation of Amides3.3	Ketones from Esters3.4	Esters from Ketones4	Transformations Involving an Umpolung4.1	Benzoin Condensation4.2	Aldimine Coupling4.3	Michael–Stetter Reaction4.4	Imino-Stetter Reaction5	Formation of Heterocycles5.1	Oxazolines from Isocyanoacetates5.2	Imidazoles from TosMIC via Oxazolines5.3	Bargellini Reaction6	Conclusion
Endoscopistsʼ diagnostic accuracy in detecting upper gastrointestinal neoplasia in the framework of artificial intelligence studies
Authors: Frazzoni Leonardo , Antonelli Giulio , Arribas Julia , Libanio Diogo , Ebigbo Alanna , van der Sommen Fons , de Groof Albert Jeroen , Fukuda Hiromu , Ohmori Masayasu , Ishihara Ryu , Wu Lianlian , Yu Honggang , Mori Yuichi , Repici Alessandro , Bergman Jacques J. G. H. M. , Sharma Prateek , Messmann Helmut , Hassan Cesare , Fuccio Lorenzo , Dinis-Ribeiro Mário 
Published: May 2021

Abstract
Background Estimates on miss rates for upper gastrointestinal neoplasia (UGIN) rely on registry data or old studies. Quality assurance programs for upper GI endoscopy are not fully established owing to the lack of infrastructure to measure endoscopists’ competence. We aimed to assess endoscopists’ accuracy for the recognition of UGIN exploiting the framework of artificial intelligence (AI) validation studies.
Methods Literature searches of databases (PubMed/MEDLINE, EMBASE, Scopus) up to August 2020 were performed to identify articles evaluating the accuracy of individual endoscopists for the recognition of UGIN within studies validating AI against a histologically verified expert-annotated ground-truth. The main outcomes were endoscopists’ pooled sensitivity, specificity, positive and negative predictive value (PPV/NPV), and area under the curve (AUC) for all UGIN, for esophageal squamous cell neoplasia (ESCN), Barrett esophagus-related neoplasia (BERN), and gastric adenocarcinoma (GAC).
Results Seven studies (2 ESCN, 3 BERN, 1 GAC, 1 UGIN overall) with 122 endoscopists were included. The pooled endoscopists’ sensitivity and specificity for UGIN were 82 % (95 % confidence interval [CI] 80 %–84 %) and 79 % (95 %CI 76 %–81 %), respectively. Endoscopists’ accuracy was higher for GAC detection (AUC 0.95 [95 %CI 0.93–0.98]) than for ESCN (AUC 0.90 [95 %CI 0.88–0.92]) and BERN detection (AUC 0.86 [95 %CI 0.84–0.88]). Sensitivity was higher for Eastern vs. Western endoscopists (87 % [95 %CI 84 %–89 %] vs. 75 % [95 %CI 72 %–78 %]), and for expert vs. non-expert endoscopists (85 % [95 %CI 83 %–87 %] vs. 71 % [95 %CI 67 %–75 %]).
Conclusion We show suboptimal accuracy of endoscopists for the recognition of UGIN even within a framework that included a higher prevalence and disease awareness. Future AI validation studies represent a framework to assess endoscopist competence.