bluuebunny/crossref_metadata_2025_split huggingface dataset:
Mechanical unfolding of a knotted protein unveils the kinetic and thermodynamic consequences of threading a polypeptide chain
Authors: Rivera Maira , Hao Yuxin , Maillard Rodrigo A. , Baez Mauricio 
Published: June 2020

AbstractKnots are remarkable topological features in nature. The presence of knots in crystallographic structures of proteins have stimulated considerable research to determine the kinetic and thermodynamic consequences of threading a polypeptide chain. By mechanically manipulating MJ0366, a small single domain protein harboring a shallow trefoil knot, we allow the protein to refold from either the knotted or the unknotted denatured state to characterize the free energy profile associated to both folding pathways. By comparing the stability of the native state with reference to the knotted and unknotted denatured state we find that knotting the polypeptide chain of MJ0366 increase the folding energy barrier in a magnitude close to the energy cost of forming a knot randomly in the denatured state. These results support that a protein knot can be formed during a single cooperative step of folding but occurs at the expenses of a large increment on the free energy barrier.
Influence of the long-term use of oral hygiene products containing stannous ions on the salivary microbiome – a randomized controlled trial
Authors: Anderson A. C. , Al-Ahmad A. , Schlueter N. , Frese C. , Hellwig E. , Binder N. 
Published: June 2020

AbstractOral hygiene products containing tin are suitable to prevent erosive tooth wear, yet effects on the oral microbiota are not known yet. Therefore, this study determined the salivary microbiome of 16 participants using products with stannous ions for three years (TG) compared with a control group (CG) to assess their influence on the microbiota. Participants were included in a randomized controlled clinical trial (RCT) with biannual visits. Illumina Miseq sequencing revealed as most abundant genera: Streptococcus (TG 14.3%; CG 13.0%), Veillonella (TG 11.3%; CG 10.9%), Prevotella (TG 7.0%; CG 9.8%), Haemophilus (TG 6.6%; CG 7.2%), Porphyromonas (TG 5.9%, CG 5.1%), Leptotrichia (TG 5.8%; CG 4.9%), Actinomyces (TG 4.0%; CG 4.6%) and Neisseria (TG 5.4%; CG 4.2%). Beta-Diversity was not significantly different between groups at both time points, although significant differences between groups were found for certain taxa after three years. The genus Prevotella was found in higher abundance in CG whereas Neisseria and Granulicatella, health-associated taxa, were found more abundantly in TG. Salivary microbiota after three years reflected a composition associated with oral health, hence continual use as a preventive measure for dental erosion can be considered safe and benefitting oral health for patients with a high risk of erosion.
An Incremental Voltage Difference Based Technique for Online State of Health Estimation of Li-ion Batteries
Authors: Naha Arunava , Han Seongho , Agarwal Samarth , Guha Arijit , Khandelwal Ashish , Tagade Piyush , Hariharan Krishnan S. , Kolake Subramanya Mayya , Yoon Jongmoon , Oh Bookeun 
Published: June 2020

AbstractAccurate state of health (SOH) estimation of rechargeable batteries is important for the safe and reliable operation of electric vehicles (EVs), smart phones, and other battery operated systems. We propose a novel method for accurate SOH estimation which does not necessarily need full charging data. Using only partial charging data during normal usage, 10 derived voltage values ($${v}_{sei}$$vsei) are collected. The initial $${v}_{sei}$$vsei point is fixed and then for every 1.5% increase in the Coulomb counting, other points are selected. The difference between the $${v}_{sei}$$vsei values ($$\Delta {v}_{sei}$$Δvsei) and the average temperature during the charging form the feature vector at different SOH levels. The training data set is prepared by extrapolating the charging voltage curves for the complete SOH range using initial 400 cycles of data. The trained artificial neural network (ANN) based on the feature vector and SOH values can be used in any battery management system (BMS) with a time complexity of only $$O({n}^{4})$$O(n4). Less than 1% mean absolute error (MAE) for the test cases has been achieved. The proposed method has a moderate training data requirement and does not need any knowledge of previous SOH, state of charge (SOC) vs. OCV relationship, and absolute SOC value.
Using human in vitro transcriptome analysis to build trustworthy machine learning models for prediction of animal drug toxicity
Authors: Gardiner Laura-Jayne , Carrieri Anna Paola , Wilshaw Jenny , Checkley Stephen , Pyzer-Knapp Edward O. , Krishna Ritesh 
Published: June 2020

AbstractDuring the development of new drugs or compounds there is a requirement for preclinical trials, commonly involving animal tests, to ascertain the safety of the compound prior to human trials. Machine learning techniques could provide anin-silicoalternative to animal models for assessing drug toxicity, thus reducing expensive and invasive animal testing during clinical trials, for drugs that are most likely to fail safety tests. Here we present a machine learning model to predict kidney dysfunction, as a proxy for drug induced renal toxicity, in rats. To achieve this, we use inexpensive transcriptomic profiles derived from human cell lines after chemical compound treatment to train our models combined with compound chemical structure information. Genomics data due to its sparse, high-dimensional and noisy nature presents significant challenges in building trustworthy and transparent machine learning models. Here we address these issues by judiciously building feature sets from heterogenous sources and coupling them with measures of model uncertainty achieved through Gaussian Process based Bayesian models. We combine the use of insight into the feature-wise contributions to our predictions with the use of predictive uncertainties recovered from the Gaussian Process to improve the transparency and trustworthiness of the model.
Effect of lacquer decoration on VOCs and odor release from P. neurantha (Hemsl.) Gamble
Authors: Wang Qifan , Zeng Bin , Shen Jun , Wang Huiyu 
Published: June 2020

AbstractThe problem of odor caused by solid wood and its lacquer finish is increasingly serious. In this study, gas chromatography–mass spectrometry/olfactometry is used to analyze the volatile organic compounds and odor-active substances released from Phoebe neurantha (Hemsl.) Gamble lacquered with three types of lacquers, which is helpful in solving furniture’s odor problem. The results show that olefin emission of the three types of lacquer coating for P. neurantha (Hemsl.) Gamble decreases by more than 90% but that total volatile organic compound release increases. Among these, polyurethane (PU) lacquer could lead to a sharp increase of ester and aromatic hydrocarbons. Waterborne lacquer also releases numerous esters and alcohol compounds. Ultraviolet (UV)-curable lacquer has the greatest inhibitory effect on alcohols, aldehydes, and ketones and does not release esters or other compounds, but the release of toluene increases sharply. Benzaldehyde, toluene, and 1,3-dimethylbenzene are identified as key odor characteristic compounds of P. neurantha (Hemsl.) Gamble. Aromatic and fruity are the main odor characteristics of P. neurantha and three types of lacquer decoration studied. The overall odor intensity increases with lacquer treatment, especially PU lacquer. Among them, UV lacquer has the lowest overall odor intensity.
Research on the optimised transceiver impedances for low‐voltage broadband PLC system
Authors: Zhang Hui 
Published: June 2020

The design of transceiver impedances is very important to improve the performance of the power line communication (PLC) system. In this study, it infers an expression of signal‐to‐noise ratio (SNR) related to transceiver impedances for broadband PLCs, and the optimal transceiver impedances are obtained by solving a maximisation problem. By the comparison of the SNR of PLC system with the proposed transceiver impedances and only optimised transmitter or receiver impedance, the conclusions are derived that the PLC system performance with the proposed transceiver impedances is better and the receiver impedance has a greater influence on the performance of the PLC system. To verify the advantage of the optimal transceiver impedances proposed in this study, the authors also make the comparison with the other two kinds of transceiver impedance optimisation methods by simulating SNR and transmission rate of the PLC system. The results show that in theory, the SNR and channel capacity of PLC system ca, maximally increase by 15 dB and 50 Mbits/s, respectively, using the proposed transceiver impedances by comparing with the other two impedance optimisation methods, which proves that the proposed transceiver impedances in this study can obtain the better performance of the PLC system.
Development and optimisation of hepatitis B recombinant antigen loaded chitosan nanoparticles as an adjuvant using the response surface methodology
Authors: Mehrabi Mohsen , Sadeghi‐Soureh Shima , Mohammadpour Dounighi Naser , Rezayat Seyed Mahdi , Doroud Delaram , Khoobi Mehdi , Amani Amir 
Published: June 2020

The main purpose of this Letter was to develop and optimise recombinant hepatitis B antigen‐loaded chitosan nanoparticles (rHBsAg‐CS NPs) as a new adjuvant for hepatitis B vaccine through designing by response surface methodology (RSM). The NPs were prepared by employing ionic gelation technique. RSM was utilised by selecting the independent variablesincluding the concentration of CS, tripolyphosphate and antigen concentration as well as pH and homogenisation speed to obtain maximum encapsulation efficiency (EE) and loading capacity (LC). EE and LC of the optimised preparation were 93.2 ± 1.1 and 25.6 ± 1.38%, respectively. Optimised NPs showed spherical shape, particle size of 187 ± 14 nm and positive zeta potential (+31.3 ± 1.5 mV). In vitro release profile of optimised formulation revealed an initial burst, followed by a slow sustained antigen release. Cell viability assay indicated that the toxicity of NPs was concentration‐dependent. SDS‐PAGE analysis confirmed the structural stability and integrity of the released antigen. ELISA and Ouchterlony double immunodiffusion tests of released antigen showed that the antigenicity was preserved during the process of NP formation.
Oxidative properties and utility of fabricated MnSiO3 nanoparticles for colorimetric detection of iron (II) in water samples
Authors: Wang Tao , Jiang Haoran , Bai Qiang , Xiao Hailian , Liu Manhong , Sui Ning 
Published: June 2020

MnSiO3 nanoparticles (NPs) were prepared by precipitation method, their structure and composition were characterised by transmission electron microscopy, electron diffraction spectroscopy, X‐ray diffraction, and X‐ray photoelectron spectroscopy. Due to the oxidase‐like enzyme activity of MnSiO3, it can catalyse the substrate 3,3′,5,5′‐tetramethylbenzidine (TMB) in acidic environment to form an oxidised TMB which has an absorption peak at 652 nm in the absence of hydrogen peroxide. When Fe2+ was added to the assay, the oxidase‐like activity of MnSiO3 was inhibited, and the intensity of the absorption at 652 nm was reduced. Based on the high oxidase‐like activity, a colorimetric method for Fe2+ detection was established, it showed high selectivity and sensitivity. In the optimised conditions, the limit of detection was 0.5 μM with a linear range from 3 to 63 μM. Moreover, the method was applied to determine Fe2+ in spiked water samples which gave satisfactory recoveries.
Asteroseismic sensitivity to internal rotation along the red-giant branch
Authors: Ahlborn F. , Bellinger E. P. , Hekker S. , Basu S. , Angelou G. C. 
Published: June 2020

Context. Transport of angular momentum in stellar interiors is currently not well understood. Asteroseismology can provide us with estimates of internal rotation of stars and thereby advances our understanding of angular momentum transport.
Aims. We can measure core-rotation rates in red-giant stars and we can place upper bounds on surface-rotation rates using measurements of dipole (l = 1) modes. Here, we aim to determine the theoretical sensitivity of modes of different spherical degree towards the surface rotation. Additionally, we aim to identify modes that can potentially add sensitivity at intermediate radii.
Methods. We used asteroseismic rotational inversions to probe the internal stellar rotation profiles in red-giant models from the base of the red-giant branch up to the luminosity bump. We used the inversion method of multiplicative optimally localised averages to assess how well internal and surface rotation rates can be recovered from different mode sets and different synthetic rotation profiles.
Results. We confirm that dipole mixed modes are sufficient to set constraints on the average core-rotation rates in red giants. However, surface-rotation rates estimated with only dipole mixed modes are contaminated by the core rotation. We show that the sensitivity to surface rotation decreases from the base of the red-giant branch until it reaches a minimum at 60–80% of the bump luminosity due to a glitch in the buoyancy frequency. Thereafter, a narrow range of increased surface sensitivity just below the bump luminosity exists. Quadrupole and octopole modes have more sensitivity in the outer parts of the star. To obtain accurate estimates of rotation rates at intermediate radii (i.e. a fractional radius of ∼0.4), acoustic oscillation modes with a spherical degree of l ≈ 10 are needed.
Conclusions. We find a minimum and subsequent maximum in the sensitivity to the surface rotation rate in red giants below the luminosity bump. Furthermore, we show that, if observed, quadrupole and octopole modes enable us to distinguish between differential and solid body rotation in the convection zone. This will be important when investigating the transport of angular momentum between the core and the envelope.
Masses of double neutron star mergers
Authors: Kruckow Matthias U. 
Published: June 2020

Aims. I aim to explain the mass discrepancy between the observed double neutron-star binary population by radio pulsar observations and gravitational-wave observation.
Methods. I performed binary population synthesis calculations and compared their results with the radio and the gravitational-wave observations simultaneously.
Results. Simulations of binary evolution were used to link different observations of double neutron star binaries with each other. I investigated the progenitor of GW190425 in more detail. A distribution of masses and merger times of the possible progenitors is presented.
Conclusions. A mass discrepancy between the radio pulsars in the Milky Way with another neutron star companion and the inferred masses from gravitational-wave observations of those kind of merging systems is naturally found in binary evolution.
A unified accretion-ejection paradigm for black hole X-ray binaries
Authors: Marcel G. , Cangemi F. , Rodriguez J. , Neilsen J. , Ferreira J. , Petrucci P.-O. , Malzac J. , Barnier S. , Clavel M. 
Published: June 2020

Context. We proposed in paper I that the spectral evolution of transient X-ray binaries (XrB) is due to an interplay between two flows: a standard accretion disk (SAD) in the outer parts and a jet-emitting disk (JED) in the inner parts. We showed in papers II, III, and IV that the spectral evolution in X-ray and radio during the 2010–2011 outburst of GX 339-4 can be recovered. However, the observed variability in X-ray was never addressed in this framework.
Aims. We investigate the presence of low frequency quasi-periodic oscillations (LFQPOs) during an X-ray outburst, and address the possible correlation between the frequencies of these LFQPOs and the transition radius between the two flows, rJ.
Methods. We select X-ray and radio data that correspond to 3 outbursts of GX 339-4. We use the method detailed in Paper IV to obtain the best parameters rJ(t) and ṁin(t) for each outburst. We also independently search for X-ray QPOs in each selected spectra and compare the QPO frequency to the Kepler and epicyclic frequencies of the flow in rJ.
Results. We successfully reproduce the correlated evolution of the X-ray spectra and the radio emission for 3 different activity cycles of GX 339-4. We use a unique normalisation factor for the radio emission, f∼R. We also report the detection of 7 new LFQPOs (3 Type B, and 4 Type C), to go along with the ones previously reported in the literature. We show that the frequency of Type C QPOs can be linked to the dynamical JED-SAD transition radius rJ, rather than to the optically thin-thick transition radius in the disk. The scaling factor q such that νQPO ≃ νK(rJ)/q is q ≃ 70 − 130, a factor consistent during the 4 cycles, and similar to previous studies.
Conclusions. The JED-SAD hybrid disk configuration not only provides a successful paradigm allowing us to describe XrB cycles, but also matches the evolution of QPO frequencies. Type C QPOs provide an indirect way to probe the JED-SAD transition radius, where an undetermined process produces secular variability. The demonstrated relation between the transition radius links Type C QPOs to the transition between two different flows, effectively tying it to the inner magnetized structure, i.e., the jets. This direct connection between the jets’ (accretion-ejection) structure and the process responsible for Type C QPOs, if confirmed, could naturally explain their puzzling multi-wavelength behavior.
Blood Flow Restriction – Einsatz und Nutzen in der Rehabilitation
Authors: Behrendt Tom , Bielitzki Robert , Schega Lutz 
Published: June 2020

ZusammenfassungDas Primärziel muskuloskelettaler Rehabilitationsmaßnahmen orientiert auf die Wiederherstellung des prätraumatischen Leistungs- und Belastungsniveaus. Besonders infolge von orthopädischen Eingriffen oder nach Verletzungen sollte eine frühzeitige und progressive Rehabilitation erfolgen, um den Genesungsprozess optimal zu unterstützen und die körperliche Leistungsfähigkeit schnellstmöglich wiederherzustellen. In diesem Zusammenhang steht das Blood Flow Restriction-Training als vielversprechende Therapiemaßnahme im Fokus aktueller Forschung. Der vorliegende Übersichtsbeitrag stellt einen Einblick über die Funktionsweise und Wirkungsmechanismen des Blood Flow Restriction-Trainings sowie essenziellen Einsatzmöglichkeiten und Anwendungshinweise für die Praxis bereit.
Die Rolle des Dehnens in der orthopädischen Sport- und Bewegungstherapie
Authors: Schuber André Arik 
Published: June 2020

ZusammenfassungIst Dehnen im orthopädischen Therapiekontext nützlich und notwendig? Dieser Frage stehen viele Sport- und Bewegungstherapeuten wenn nicht ratlos, dann doch zumindest unsicher gegenüber. In der Tat ist kaum ein anderer Themenbereich der Sportwissenschaft so stark durch pseudowissenschaftliche Aussagen, persönliche Erfahrung und Trainingsmythen geprägt. Der vorliegende Artikel gibt deshalb einen kritischen Überblick über den aktuellen Stand der Dehnungsforschung, arbeitet die verschiedenen Anwendungsfelder heraus und liefert grundlegende Praxisempfehlungen für den Therapiealltag.
Der Semiokklusionsverband – Entwicklung des Vertrauens seitens der Patienten in die Methode während der Behandlung und des Ausmaßes der Geruchsemission
Authors: Ordosch Markus , Maucher Valentin 
Published: June 2020

Zusammenfassung
Ziel Die vorliegende Studie untersucht, wie sich während der Behandlung einer Weichteildefektverletzung an einem Fingerendglied das Vertrauen der Patienten in die Behandlung mit einem Semiokklusionsverband, aber auch die Geruchsbelästigung entwickelt.
Patienten und Methoden 17 Patienten mit einer Fingerkuppenamputationsverletzung wurden mit einem Semiokklusionsverband behandelt. Bei jedem Verbandswechsel wurden sie bzgl. ihres Vertrauens in die Behandlungsmethode als auch bzgl. der vorhandenen Geruchsbelästigung befragt, wobei beides mittels numerischer Analogskala mit 0 = kein Vertrauen resp. keine Geruchsbelästigung und 10 = absolutes Vertrauen resp. größte Geruchsbelästigung erfasst wurde. Nach Abheilen der Verletzung wurde die Dicke der regenerierten Fingerbeere sonographisch gemessen und mit der des unverletzten Fingers der Gegenseite verglichen.
Ergebnisse Bereits zu Beginn der Behandlung war das Vertrauen in die Behandlungsmethode hoch (8,5 ± SD 1,1). Die Geruchsbelästigung erreichte beim 3. Verbandswechsel ihren Höhepunkt mit 5,6 ± SD 2,5. Parallel zur abnehmenden Geruchsbelästigung kam es zwischen dem 3. und 4. Verbandswechsel zum höchsten Anstieg des Vertrauens in die Behandlung. Sonographisch wurde die Dicke der Fingerbeere am verletzten Finger nach Abheilen des Defektes mit 3,0 ± 0,6 mm bestimmt, auf der unverletzten Gegenseite mit 3,4 ± 0,8 mm.
Schlussfolgerung Das Vertrauen, dass eine Fingerkuppendefektverletzung bei Behandlung mit einem Semiokklusionsverband vollständig abheilt, ist von Beginn an groß. Mit Rückgang der Geruchsbelästigung steigt sie weiter an.
Pediatric Non–Brain Stem High-Grade Glioma: A Single-Center Experience
Authors: Alimohammadi Ehsan , Bagheri Seyed Reza , Delfani Nasrin , Safari-Faramani Roya , Janatolmakan Maryam 
Published: June 2020

Abstract
Background Pediatric high-grade gliomas (PHGGs) consist of a heterogeneous class of central nervous system (CNS) neoplasms with a poor prognosis. We aimed to present our 10-year experience in the management of children with high-grade glioma focusing on patients’ survival and related factors.
Methods All pediatric patients with high- grade glioma (HGG) who were admitted to our center between May 2009 and May 2018 were investigated. Overall survival (OS) was calculated from the time of diagnosis until the day of death. The impact of suggested variables on survival was evaluated using the univariate and multivariate analyses.
Results There were 41 children with non–brain stem high-grade glioma (NBSHGG). The mean OS of patients was 21.24 ± 10.16 months. The extent of resection (p = 0.002, hazard ratio [HR] = 4.84), the grade of the tumor (p = 0.017, HR = 4.36), and temozolomide (TMZ) therapy (p = 0.038, HR = 3.57) were the independent predictors of OS in children with NBSHGG. Age, gender, tumor location, and size of tumor were not associated with the survival of these patients.
Conclusion HGGs are uncommon pediatric tumors with an aggressive nature and a poor prognosis. Our results revealed that in NBSHGG cases, children with maximal safe tumor resection and children that received temozolomide therapy as well as children with grade III of the tumor had higher survival.