bluuebunny/crossref_metadata_2025_split huggingface dataset:
Artificial intelligence guided conformational mining of intrinsically disordered proteins
Authors: Gupta Aayush , Dey Souvik , Hicks Alan , Zhou Huan-Xiang 
Published: June 2022

AbstractArtificial intelligence recently achieved the breakthrough of predicting the three-dimensional structures of proteins. The next frontier is presented by intrinsically disordered proteins (IDPs), which, representing 30% to 50% of proteomes, readily access vast conformational space. Molecular dynamics (MD) simulations are promising in sampling IDP conformations, but only at extremely high computational cost. Here, we developed generative autoencoders that learn from short MD simulations and generate full conformational ensembles. An encoder represents IDP conformations as vectors in a reduced-dimensional latent space. The mean vector and covariance matrix of the training dataset are calculated to define a multivariate Gaussian distribution, from which vectors are sampled and fed to a decoder to generate new conformations. The ensembles of generated conformations cover those sampled by long MD simulations and are validated by small-angle X-ray scattering profile and NMR chemical shifts. This work illustrates the vast potential of artificial intelligence in conformational mining of IDPs.
Exploratory scenarios for the differential nuclear and tidal evolution of TZ Fornacis
Authors: Claret A. 
Published: June 2022

Aims. TZ Fornacis is a double-lined eclipsing binary system with similar masses (2.057 ± 0.001 and 1.958 ± 0.001 M⊙) but characterized by very different radii (8.28 ± 0.22 and 3.94 ± 0.17 R⊙). This similarity in terms of mass makes it possible to study the system’s differential stellar evolution as well as some aspects of its tidal evolution. With regard to its orbital elements, it was recently confirmed that its orbit is circular with an orbital period of 75.7 days. The less massive component rotates about 17 times faster than the primary one, which is synchronized with the mean orbital angular velocity. Our main objective in this work is to study both the nuclear and the tidal evolution of the system.
Methods. To model the TZ For system, we used the MESA package, computing the grids using the exact observed masses, radii, and effective temperatures as input, and then varying the metallicity, the core overshooting amount, and the mixing-length parameter. A χ2 statistic was used to infer the optimal values of the core overshooting and the mixing-length parameters. The same procedure was used to generate rotating models with the GRANADA code. The respective errors in the average age of TZ For were less than 5%. On the other hand, the differential equations that govern the tidal evolution were integrated using the fifth-order Runge–Kutta method, ith a tolerance of 1 × 10−7.
Results. We explored two scenarios regarding the initial eccentricities: a high one (0.30) and a case of an initial circular orbit. A good agreement has been found between the observational values of the eccentricity, synchronism levels, and orbital period with the values predicted by the integration of the tidal evolution equations. The influence of the friction timescale on the evolution of the orbital elements of TZ For is also studied here. The orbital elements most affected by the uncertainties in the friction timescale are the synchronism levels of the two components. On the other hand, we used the properties of the rotating models generated by the GRANADA code as the initial angular velocities instead of using trial values. In this case, comparisons between the theoretical values of the orbital elements and their observed counterparts also lead to a good interagreement.
Marktstudie Kinderlebensmittel: Freiwillige Selbstverpflichtungen
können an Kinder gerichtete Werbung für ungesunde Lebensmittel
nicht verhindern
Authors: Huizinga Oliver , Reinbeck Saskia 
Published: June 2022

Zusammenfassung
Ziele In der vorliegenden Studie wurde untersucht, inwiefern die
bestehenden freiwilligen Selbstverpflichtungen verhindern, dass Lebensmittel mit
einem hohen Zucker, Fett-, und/oder Salzgehalt an Kinder beworben
werden.
Methode foodwatch hat mithilfe einer Supermarkt- und Online-Recherche alle
in Deutschland an Kinder beworbenen Lebensmittel von führenden
Lebensmittelherstellern (Unterzeichner des „EU Pledge“)
identifiziert. Für die insgesamt 281 Produkte wurden die
Nährwertangaben ermittelt und anhand des Nutrient Profile Model der WHO
Europa bewertet.
Ergebnis 85,4% der von den Lebensmittelkonzernen an Kinder
beworbenen Produkte enthalten zu viel Zucker, Fett und/oder Salz. Sie
sind nach den Kriterien der WHO unausgewogen.
Schlussfolgerungen Die Ergebnisse zeigen, dass die freiwilligen
Selbstverpflichtungen der Werbe- und Lebensmittelindustrie nicht verhindern,
dass unausgewogene Lebensmittel an Kinder beworben werden.
Verkürzte Aufenthaltsdauer auf der Schlaganfallstation bei
frühmobilisierten Patient*innen mit Schlaganfall
Authors: Bohle Tanja , Brück Katharina 
Published: June 2022

Zusammenfassung
Zielsetzung Ziel der vorliegenden Arbeit war es, den Zusammenhang zwischen
dem Zeitpunkt der ersten Mobilisation und der Verweildauer auf der
Schlaganfallstation bei Patient*innen mit einem akuten
Schlaganfallereignis zu untersuchen.
Methode Auf der akuten Schlaganfallstation des Asklepios Klinikums Harburg
wurde eine sechswöchige empirische, explorative Untersuchung
durchgeführt. Es konnten 101 Datensätze statistisch ausgewertet
werden. Die Daten wurden über das digitale Dokumentationsprogramm des
Krankenhauses erhoben, wobei nicht in den Ablauf auf der Schlaganfallstation
eingegriffen und keine Intervention durchgeführt wurde.
Ergebnisse Zwischen dem Zeitpunkt der ersten Mobilisation und der
Verweildauer auf der Schlaganfallstation bestand ein moderater positiver
Zusammenhang (r=0,409, p=< 0,001). In den
Mobilisationszeiträumen ≤ 24 Stunden, 25–48 Stunden und
≥ 49 Stunden verweilten die am frühesten mobilisierten
Patient*innen im Durchschnitt am kürzesten auf der Station,
gefolgt von den später mobilisierten Patient*innen.
Diskussion Das Alter, die vorliegende Schlaganfallschwere zum Zeitpunkt
der Einlieferung auf der Schlaganfallstation sowie die Art des Schlaganfalls
können möglicherweise den Zusammenhang zwischen dem Zeitpunkt
der ersten Mobilisation und der Verweildauer auf der Station beeinflusst
haben.
Statins Increase the Bioavailability of Fixed-Dose Combination of Sofosbuvir/Ledipasvir by Inhibition of P-glycoprotein
Authors: Abdelkawy K.S. , Belal Fathalla , Abdelaziz AbdelazizE , Elmekawy H. A. , Abdelgaied M. Y. , El-Khodary N. M. 
Published: June 2022

AbstractBackground Coadministration of statins and direct acting antiviral agents is frequently used. This study explored the effects of both atorvastatin and lovastatin on pharmacokinetics of a fixed-dose combination of sofosbuvir/ledipasvir “FDCSL”.Methods 12 healthy volunteers participated in a randomized, three-phase crossover trial and were administered a single atorvastatin dose 80 mg plus tablet containing 400/90 mg FDCSL, a single lovastatin dose 40 mg plus tablet containing 400/90 mg FDCSL, or tablets containing 400/90 mg FDCSL alone. Liquid chromatography-tandem mass spectrometry was used to analyze plasma samples of sofosbuvir, ledipasvir and sofosbuvir metabolite “GS-331007” and their pharmacokinetic parameters were determined.Results Atorvastatin caused a significant rise in sofosbuvir bioavailability as explained by increasing in AUC0−∞ and Cmax by 34.36% and 11.97%, respectively. In addition, AUC0-∞ and Cmax of GS-331007 were increased by 73.73% and 67.86%, respectively after atorvastatin intake. Similarly, co-administration of lovastatin with FDCSL increased the bioavailability of sofosbuvir, its metabolite (AUC0-∞ increase by 17.2%, 17.38%, respectively, and Cmax increase by 12.03%, 22.24%, respectively). However, neither atorvastatin nor lovastatin showed a change in ledipasvir bioavailability. Hepatic elimination was not affected after statin intake with FDCSL. Compared to lovastatin, atorvastatin showed significant increase in AUC0-∞ and Cmax of both sofosbuvir and its metabolite.Conclusions Both atorvastatin and lovastatin increased AUC of sofosbuvir and its metabolite after concurrent administration with FDCSL. Statins’ P-glycoprotein inhibition is the attributed mechanism of interaction. The increase in sofosbuvir bioavailability was more pronounced after atorvastatin intake. Close monitoring is needed after co-administration of atorvastatin and FDCSL.
Preclinical and Clinical Role of Coenzyme Q10 Supplementation in
Various Pathological States
Authors: Rajesh Kumar , Khan M I , Mahesh Prasad , Kumar Srivastav Ritesh , Kumar Srivastav Shiv 
Published: June 2022

AbstractCoenzyme Q10 (CoQ10) is an efficient antioxidant produced endogenously in a
living organism. It acts as an important cofactor in the electron transport
system of mitochondria and reported as a safe supplement in humans and animals
with minimal adverse effect. CoQ10 is found naturally, as a trans configuration,
chemical nomenclature of which is 2,3- dimethoxy-5- methyl-6-decaprenyle
-1,4-benzoquinone. It is found in the body in two forms. In quinone form
(oxidized form), it serves as an electron transporter that transfers the
electrons in the electron transport chain between various complexes, and in
ubiquinol form (reduced form), it serves as potent antioxidants by scavenging
free radicals or by tocopherol regeneration in the living organism. Its primary
roles include synthesis of adenosine triphosphate (ATP), stabilizes lipid
membrane, antioxidant activity, cell growth stimulation, and cell death
inhibition. CoQ10 has shown a variety of pharmacological and clinical effects
including neuroprotective, hepatoprotective, anti-atherosclerotic,
anticonvulsant, antidepressant, anti-inflammatory, antinociceptive,
cardiovascular, antimicrobial, immunomodulatory, and various effects on the
central nervous system. Present review has set about to bring updated
information regarding to clinical and preclinical activities of CoQ10, which may
be helpful to researchers to explore a new bioactive molecules for various
therapeutic application.
Entwicklung und Evaluation eines Simulators für die endoskopische Nasennebenhöhlenoperation
Authors: Pößneck Antje , Ludwig Alexandra Annemarie , Burgert Oliver , Nowatius Edgar , Maass Heiko , Çakmak Hüseyin Kemal , Dietz Andreas 
Published: June 2022

Zusammenfassung
Hintergrund Endoskopische Operationsverfahren haben sich als Goldstandard in der Nasennebenhöhlen-(NNH-)Chirurgie etabliert. Den sich daraus ergebenden Herausforderungen für die chirurgische Ausbildung kann durch den Einsatz von Virtuelle-Realität-(VR-)Trainingssimulatoren begegnet werden. Bislang wurde eine Reihe von Simulatoren für NNH-Operationen entwickelt. Frühere Studien im Hinblick auf den Trainingseffekt wurden jedoch nur mit medizinisch vorgebildeten Probanden durchgeführt oder es wurde nicht über dessen zeitlichen Verlauf berichtet.
Methoden Ein NNH-CT-Datensatz wurde nach der Segmentierung in ein 3-dimensionales, polygonales Oberflächenmodell überführt und mithilfe von originalem Fotomaterial texturiert. Die Interaktion mit der virtuellen Umgebung erfolgte über ein haptisches Eingabegerät. Während der Simulation wurden die Parameter Eingriffsdauer und Fehleranzahl erfasst. Zehn Probanden absolvierten jeweils eine Trainingseinheit bestehend aus je 5 Übungsdurchläufen an 10 aufeinanderfolgenden Tagen.
Ergebnisse Vier Probanden verringerten die benötigte Zeit um mehr als 60% im Verlauf des Übungszeitraums. Vier der Probanden verringerten ihre Fehleranzahl um mehr als 60%. Acht von 10 Probanden zeigten eine Verbesserung bezüglich beider Parameter. Im Median wurde im gesamten gemessenen Zeitraum die Dauer des Eingriffs um 46 Sekunden und die Fehleranzahl um 191 reduziert. Die Überprüfung eines Zusammenhangs zwischen den 2 Parametern ergab eine positive Korrelation.
Schlussfolgerung Zusammenfassend lässt sich feststellen, dass das Training am NNH-Simulator auch bei unerfahrenen Personen die Performance beträchtlich verbessert, sowohl in Bezug auf die Dauer als auch auf die Genauigkeit des Eingriffs.
Adverse Event Following Immunization (AEFI) in Children: An Analysis of Reporting in VigiAccess
Authors: Pandey Diksha , Mehta Geetika , Sachdeva Monika , Tripathi Rashmi 
Published: June 2022

AbstractIntroduction It is an indubitable fact that vaccination has been instrumental in the eradication and prevention of the deadliest diseases worldwide. Continuous vaccine safety surveillance is helpful to counter the negative perception and thus allay the fear of Adverse Events Following Immunization (AEFI) in the general public. VigiAccess, the WHO global database of reported side effects of medicinal products, can be accessed by the public at large. The objective of this study is to assess the characteristics of AEFIs of the commonly used vaccines in children in VigiAccess.Materials and Methods VigiAccess was thoroughly explored for the categories, number, and types of AEFIs of commonly used vaccines among children that are reported in five continents between 2011 and 2021.Results After a comprehensive analysis in VigiAccess, 27 kinds of AEFIs were discovered. For the nine vaccines, a total of 1,412,339 AEFIs were found. The most prevalent AEFIs were general disorder and administration site condition (436,199 or 30%). The majority of AEFIs are found in America, with Europe, Oceania, Asia, and Africa following closely behind. Girls of age from 27 days to 23 months had the highest number of AEFIs. The highest number of AEFIs was recorded in the year 2018.Conclusion America has the maximum, whilst Africa has the least AEFI. Few AEFIs were caused by the measles vaccination, while the majority were related to the general disorder and administration site condition. Data synchronization in VigiAccess needs to be enhanced to improve its dependability.
A Practical Approach to 6H-Indol-6-ones Enables the Formal Synthesis of γ-Lycorane
Authors: Zhan Rui , Shao Li-Dong , Chen Yang , Hu Xin-Ting , Xie Xiao-Yan , Li Dashan , Zheng Chun-Xia , Zhang You-Xi , Wang Wen-Jing 
Published: June 2022

AbstractWe represented herein a two-step synthesis of 1-methyl-6H-indol-6-one which is an N-containing 6/5 fused bicyclic building blocks in Amaryllidaceae alkaloids. The key step featured is a ‘one-pot’ ozonolysis/reductive amination/cyclization of allylated cyclohexa-1,3-dione to give bicyclic compounds. Moreover, the formal total synthesis of natural product γ-lycorane could be achieved through a photo-promoted cyclization/oxidation cascade reaction from the resulting bicyclic intermediate.
Orthostatic Myoclonic Jerks in a Case of Hashimoto's Encephalopathy
Authors: Singh Amit Shankar , Sidhu Arshdeep Singh 
Published: June 2022

Abstract
Hashimoto's encephalopathy (HE) is an uncommon syndrome with the characteristic triad of positive antithyroid antibodies (most commonly antibodies to thyroid peroxidase), response to steroids, and clinical picture presenting either as stroke-like pattern of focal neurological deficit or slowly progressive cognitive impairment. Myoclonus or tremors, seizures, and psychosis are other associated features which can be seen in HE. Herein, we report a girl with an uncommon presentation of orthostatic axial and myoclonic jerks in bilateral lower limbs in a case of HE.
Predisposing Factors for Recurrent Aphthous Stomatitis among Undergraduate Dental Students
Authors: Rahmadhany Indriasari Putri , Mahdani Fatma Yasmin , Surboyo Meircurius Dwi Condro , Parmadiati Adiastuti Endah , Cecilia Pamela Handy , Sukmawati Natasya Fauzia 
Published: June 2022

AbstractObjectives The prevalence of recurrent aphthous stomatitis (RAS) among the general population worldwide is 20%. This study aims to discover any correlations between RAS predisposing factors and the gender and year of study of undergraduate dental students at the Faculty of Dental Medicine at Airlangga University.Methods A cross-sectional analytical study using simple random sampling was performed. The respondents answered seven questions on a self-reported online questionnaire set up using Google Forms. Chi-square analyses were conducted to determine any correlation between RAS predisposing factors and the gender and year of study of the students.Results The highest predisposing factors for RAS in undergraduate dental students were local trauma (77.7%) followed by stress (71.3%) and nutritional deficiencies (41.5%). Stress correlated strongly with the year of study (p = 0.015). There was no correlation between gender and RAS predisposing factors (p > 0.05).Conclusion There was a correlation between stress, one of the predisposing factors for RAS, and the year of study, but there was no correlation between gender and RAS predisposing factors including local trauma, stress, nutritional deficiency, genetics, allergies, and systemic diseases.
Characteristics of School Injuries Presenting to the Emergency Department
Authors: Özdemir Serdar , Akça Hatice Şeyma , Algın Abdullah , Kokulu Kamil , Özkan Abuzer 
Published: June 2022

AbstractBackground School injuries account for approximately one-fifth of pediatric injuries. We aimed to investigate the frequency and severity of school injuries among school-aged children and determine clinical diagnoses and surgery requirement data.Methods In this prospective study, children who were admitted to the emergency department due to school accidents over a 5-month period were included. Demographics, activity during trauma, mechanism of trauma, nature, severity, emergency department outcomes, and surgery requirement were evaluated.Results The study included a total of 504 school-aged children, of whom 327 (64.9%) were male and 177 (35.1%) were female. Of the children, 426 (84.5%) had no evidence of injury or minor injury, while 78 (15.5%) had moderate or severe injury. There was a statistically significant difference between these two groups in terms of gender (p = 0.031). Of the 78 children with moderate or severe injuries, 45 had extremity fractures, 18 had lacerations, 5 had maxillofacial injuries, 4 had cerebral contusion, 1 had lung contusion, and 1 had cervical soft-tissue damage. Two patients with fractures and two with eyelid lacerations were treated surgically, and four patients with brain contusion were hospitalized for a close follow-up.Conclusion This study revealed that the most common moderate or severe injuries in school accidents referred to emergency department were distal radius fractures and lacerations.
The unified transform method to the high-order nonlinear Schrödinger equation with periodic initial condition
Authors: Liu Leilei , Zhang Weiguo , Xu Jian , Guo Yuli 
Published: June 2022

Abstract
In this paper, we study the high-order nonlinear Schrödinger equation with periodic initial conditions via the unified transform method extended by Fokas and Lenells. For the high-order nonlinear Schrödinger equation, the initial value problem on the circle can be expressed in terms of the solution of a Riemann–Hilbert problem. The related jump matrix can be explicitly expressed based on the initial data alone. Furthermore, we present the explicit solution, which corresponds to a one-gap solution.
On the Jet Structures of GRB 050820A and GRB 070125
Authors: Li Xin-Yu , He Hao-Ning , Wei Da-Ming 
Published: June 2022

Abstract
We present the broadband numerical modeling of afterglows for two remarkably bright long gamma-ray bursts (GRBs), GRB 050820A and GRB 070125, with a wide range of observations from the radio band to the X-ray band. In our work, we fit light curves and constrain physical parameters using a standard forward shock model from the afterglowpy Python package, considering different jet structures and the jet lateral expansion. For GRB 050820A, the constrained jet is close to a top-hat jet with an extremely small half opening angle of about 0.015 rad, and the circumburst matter density is as small as 10−7 cm−3, which suggests that this peculiar long GRB might originate from metal-poor stars with low mass-loss rates. To explain the late time optical light curves of GRB 070125, the effects of the lateral expansion and the participation factor of electrons that are accelerated by the shock have to be taken into account. The constrained results for GRB 070125 show that the jet is also close to a top-hat jet with a half opening angle of about 0.1 rad, the viewing angle is about 0.05 rad, the circumburst density is about 10 cm−3, and the participation factor is about 0.1. The jet energy of the two bursts is required to be ∼1051–1052 erg, which can be produced by a millisecond magnetar or a hyper-accreting black hole.
Short- and medium-term effect of inhaled corticosteroids on exhaled breath biomarkers in severe asthma
Authors: Alahmadi Fahad H , Wilkinson Max , Keevil Brian , Niven Rob , Fowler Stephen J 
Published: June 2022

Abstract
Inhaled corticosteroids (ICS) are the mainstay of therapy in asthma, but benefits vary due to disease heterogeneity. Steroid insensitivity is a particular problem in severe asthma, where patients may require systemic corticosteroids and/or biologics. Biomarkers sensitive to ICS over a short period of time could inform earlier and more personalised treatment choices. To investigate how exhaled breath biomarkers change over two-hours and one-week following monitored ICS dosing in severe asthma patients with evidence of uncontrolled airway inflammation. Patients with severe asthma and elevated fractional exhaled nitric oxide (FeNO) (⩾45 ppb, indicative of active airway inflammation) were recruited. Exhaled breath biomarkers were evaluated using (FeNO), exhaled breath temperature (EBT), particles in exhaled air (PExA) and volatile organic compounds (VOCs). Samples were collected over 2 h following observed inhalation of 1000 mcg fluticasone propionate, and at a second visit 1 week after taking the same dose daily via an inhaler monitoring device that recorded correct actuation and inhalation. Changes in parameters over 2 h were analysed by the Friedman test and 1 week by Wilcoxon’s test (p-value for significance set at 0.05; for VOCs false discovery rate q of 0.1 by Benjamini–Hochberg method applied). 17 participants (9 male) were recruited, but three could not complete PExA and two FeNO testing, as they were unable to comply with the necessary technique; complete datasets were available from 12 (9 male) with median (interquartile range) age 45 (36–59) yrs. EBT (p < 0.05) and levels of six VOCs (q < 0.1) fell over the 2 h after high dose ICS; there were no changes in FeNO or PExA. After one week of using high dose ICS, there were falls in FeNO, EBT and two VOCs (p < 0.05), but no changes in PExA. Reduction in EBT over the short and medium term after high dose ICS may reflect airway vascular changes, and this, together with the observed changes in exhaled VOCs, merits further investigation as potential markers of ICS use and effectiveness.
Optimization of tribological behaviour of TiO2 nanoparticles reinforced AA7178 alloy matrix using ANN and Taguchi’s methodology
Authors: Bharat Nikhil , Bose P S C 
Published: June 2022

Abstract
The investigation of tribological behaviour of AA7178 base alloy matrix reinforced with varying weight percentage of nano TiO2 particles (0,1,2 and 3%) using artificial neural network (ANN) and Taguchi is presented in this paper. Scanning Electron Microscope(SEM) with Energy Dispersive Spectroscopy (EDAX) was used to study the microstructural as well as wear behaviour of the nanocomposite. SEM images confirm that abrasive and adhesive wear was responsible for the worn-out surface. ANN with the Taguchi model was used to obtain the best input process parameters (sliding speed, distance, load and weight percentage) to minimize the output values (Coefficient of friction and wear rate). The coefficient of friction and wear rate were mainly affected from the weight percentage of nano TiO2 by 60.95% and 57.33%, respectively. The efficiency of ANN model was better compared to Taguchi model.