bluuebunny/crossref_metadata_2025_split huggingface dataset:
In silico engineering and simulation of RNA interferences nanoplatforms for osteoporosis treating and bone healing promoting
Authors: Imanpour Aylar , Kolahi Azar Hanieh , Makarem Dorna , Nematollahi Zeinab , Nahavandi Reza , Rostami Mohammadreza , Beheshtizadeh Nima 
Published: October 2023

AbstractOsteoporosis is a bone condition characterized by reduced bone mineral density (BMD), poor bone microarchitecture/mineralization, and/or diminished bone strength. This asymptomatic disorder typically goes untreated until it presents as a low-trauma fracture of the hip, spine, proximal humerus, pelvis, and/or wrist, requiring surgery. Utilizing RNA interference (RNAi) may be accomplished in a number of ways, one of which is by the use of very tiny RNA molecules called microRNAs (miRNAs) and small interfering RNAs (siRNAs). Several kinds of antagomirs and siRNAs are now being developed to prevent the detrimental effects of miRNAs. The goal of this study is to find new antagonists for miRNAs and siRNAs that target multiple genes in order to reduce osteoporosis and promote bone repair. Also, choosing the optimum nanocarriers to deliver these RNAis appropriately to the body could lighten up the research road. In this context, we employed gene ontology analysis to search across multiple datasets. Following data analysis, a systems biology approach was used to process it. A molecular dynamics (MD) simulation was used to explore the possibility of incorporating the suggested siRNAs and miRNA antagonists into polymeric bioresponsive nanocarriers for delivery purposes. Among the three nanocarriers tested [polyethylene glycol (PEG), polyethylenimine (PEI), and PEG-PEI copolymer], MD simulations show that the integration of PEG-PEI with has-mIR-146a-5p is the most stable (total energy = -372.84 kJ/mol, Gyration radius = 2.1084 nm), whereas PEI is an appropriate delivery carrier for has-mIR-7155. The findings of the systems biology and MD simulations indicate that the proposed RNAis might be given through bioresponsive nanocarriers to accelerate bone repair and osteoporosis treatment.
Explainable AI approach with original vegetation data classifies spatio-temporal nitrogen in flows from ungauged catchments to the Great Barrier Reef
Authors: O’Sullivan Cherie M. , Deo Ravinesh C. , Ghahramani Afshin 
Published: October 2023

AbstractTransfer of processed data and parameters to ungauged catchments from the most similar gauged counterpart is a common technique in water quality modelling. But catchment similarities for Dissolved Inorganic Nitrogen (DIN) are ill posed, which affects the predictive capability of models reliant on such methods for simulating DIN. Spatial data proxies to classify catchments for most similar DIN responses are a demonstrated solution, yet their applicability to ungauged catchments is unexplored. We adopted a neural network pattern recognition model (ANN-PR) and explainable artificial intelligence approach (SHAP-XAI) to match all ungauged catchments that flow to the Great Barrier Reef to gauged ones based on proxy spatial data. Catchment match suitability was verified using a neural network water quality (ANN-WQ) simulator trained on gauged catchment datasets, tested by simulating DIN for matched catchments in unsupervised learning scenarios. We show that discriminating training data to DIN regime benefits ANN-WQ simulation performance in unsupervised scenarios ( p< 0.05). This phenomenon demonstrates that proxy spatial data is a useful tool to classify catchments with similar DIN regimes. Catchments lacking similarity with gauged ones are identified as priority monitoring areas to gain observed data for all DIN regimes in catchments that flow to the Great Barrier Reef, Australia.
Quinoxalines against Leishmania amazonensis: SAR study, proposition of a new derivative, QSAR prediction, synthesis, and biological evaluation
Authors: Silva de Jesus Passaes Anna Carolina , Arantes Dantas Juliana , Landim Lopes Fernanda , Pereira Sangi Diego , Girão Albuquerque Magaly , Vataru Nakamura Celso , Yoneda Julliane 
Published: October 2023

AbstractNeglected tropical diseases, such as leishmaniasis, lead to serious limitations to the affected societies. In this work, a structure–activity relationship (SAR) study was developed with a series of quinoxaline derivatives, active against the promastigote forms of Leishmania amazonensis. As a result, a new quinoxaline derivative was designed and synthesized. In addition, a quantitative structure–activity relationship (QSAR) model was obtained [pIC50 = − 1.51 − 0.96 (EHOMO) + 0.02 (PSA); N = 17, R2 = 0.980, R2Adj = 0.977, s = 0.103, and LOO-cv-R2 (Q2) = 0.971]. The activity of the new synthesized compound was estimated (pIC50 = 5.88) and compared with the experimental result (pIC50 = 5.70), which allowed to evaluate the good predictive capacity of the model.
Experimental and numerical assessment of the flexural response of banana fiber sandwich epoxy composite
Authors: Chenrayan Venkatesh , Gebremaryam Gezahgn , Shahapurkar Kiran , Mani Kalayarasan , Fouad Yasser , Kalam Md. Abul , Mubarak Nabisab Mujawar , Soudagar Manzoore Elahi Mohammad , Abusahmin Bashir Suleman 
Published: October 2023

AbstractRecently, most service or product-oriented industries have been focusing on their activities to uphold the green and sustainable environment protocol owing to the increased environmental pollution. Concerning this issue, industries are now concentrating on developing recyclable or waste materials products. This research advocates developing and validating a banana fiber sandwich composite to promote the beneficial usage of bio-waste. The composite sandwich specimens were fabricated with resin-impregnated woven banana fiber mat as a skin, and the core was reinforced with three different weight percentages (5, 7.5 and 10%) of chopped banana fiber. The sandwich specimens were pressed into a three-point bending test to validate the structural integrity. The flexural characteristics like flexural strength and modulus were examined experimentally, whereas the key strength indices like flexural stiffness and core shear modulus were evaluated analytically. Post-fracture surfaces were studied through a scanning electron microscope to investigate the failure mechanism. The experimental and analytical results indicate that 10% banana fiber content in the sandwich core increases the flexural strength and flexural modulus to 225% and 147%, respectively, compared to the neat epoxy core. The numerical simulation was also performed through FEA to validate the experimental findings. The numerical results are in good concurrence with the experimental one.
I–f closed‐loop starting strategy of high‐speed PMSM based on current vector adaptive regulation
Authors: Xu Guxuan , Zhao Feng , Liu Tao 
Published: October 2023

AbstractConventional I–f startup control algorithms often lead to significant speed fluctuations, extended convergence times, and sluggish dynamic responses when the motor is working at the acceleration process. To address these challenges, the article constructs a discrete kinetic model of the motor, extracts and summarizes the change law of the motor torque angle fluctuation amplitude and frequency with the motor parameters and the reference current vector during I–f starting process based on the Runge–Kutta method, reveals the fundamental mechanism of the pole slipping of the I–f control. On this basis, the article proposes a closed‐loop I–f starting control strategy for high‐speed permanent magnet motors based on current vector adaptive regulation, The strategy notably improves speed tracking performance and current dynamic response to I–f startup control. Experimental results validate the efficacy of the proposed algorithm.
The brighter-fatter effect in the JWST MIRI Si:As IBC detectors
Authors: Argyriou Ioannis , Lage Craig , Rieke George H. , Gasman Danny , Bouwman Jeroen , Morrison Jane , Libralato Mattia , Dicken Daniel , Brandl Bernhard R. , Álvarez-Márquez Javier , Labiano Alvaro , Regan Michael , Ressler Michael E. 
Published: October 2023

Context. The Mid-Infrared Instrument (MIRI) on board the James Webb Space Telescope (JWST) uses three Si:As impurity band conduction (IBC) detector arrays. The output voltage level of each MIRI detector pixel is digitally recorded by sampling up the ramp. For uniform or low-contrast illumination, the pixel ramps become nonlinear in a predictable way, but in areas of high contrast, the nonlinearity curve becomes much more complex. The origin of the effect is poorly understood and currently not calibrated out of the data.
Aims. We provide observational evidence of the brighter-fatter effect (BFE) in MIRI conventional and high-contrast coronagraphic imaging, low-resolution spectroscopy, and medium-resolution spectroscopy data, and we investigate the physical mechanism that gives rise to the effect on the MIRI detector pixel raw voltage integration ramps.
Methods. We used public data from the JWST/MIRI commissioning and Cycle 1 phase. We also developed a numerical electrostatic model of the MIRI detectors using a modified version of the public Poisson_CCD code.
Results. We find that the physical mechanism behind the BFE manifesting in MIRI data is fundamentally different to that of charge-coupled devices and photodiode arrays such as the Hawaii-XRG near-infrared detectors used by the NIRISS, NIRCam, and NIRSpec instruments on board JWST. Observationally, the BFE makes the JWST MIRI data yield 10–25% larger point sources and spectral line profiles as a function of the relative level of de-biasing of neighboring detector pixels. This broadening impacts the MIRI absolute flux calibration, time-series observations of faint companions, and point spread function modeling and subtraction. We also find that the intra-pixel 2D profile of the shrinking Si:As IBC detector depletion region directly impacts the accuracy of the pixel ramp nonlinearity calibration model.
Stellar-wind variability in Cygnus X-1 from high-resolution excess variance spectroscopy with Chandra
Authors: Härer L. K. , Parker M. L. , El Mellah I. , Grinberg V. , Ballhausen R. , Igo Z. , Joyce A. , Wilms J. 
Published: October 2023

Context. Stellar winds of massive stars are known to be driven by line absorption of UV photons, a mechanism that is prone to instabilities, causing the wind to be clumpy. The clumpy structure hampers wind mass-loss estimates, limiting our understanding of massive star evolution. The wind structure also impacts accretion in high-mass X-ray binary (HMXB) systems.
Aims. We aim to analyse the wavelength-dependent variability of X-ray absorption in the wind to study its structure. Such an approach is possible in HMXBs, where the compact object serves as an X-ray backlight. We probe different parts of the wind by analysing data taken at superior and inferior conjunctions.
Methods. We applied excess variance spectroscopy to study the wavelength-dependent soft (2–14 Å) X-ray variability of the HMXB Cygnus X-1 in the hard spectral state. Excess variance spectroscopy quantifies the variability of an object above the statistical noise as a function of wavelength, which allows us to study the variability of individual spectral lines. This technique was applied to high-resolution gratings spectra provided by Chandra, accounting for various systematic effects. The frequency dependence is investigated by changing the time binning.
Results. The strong orbital phase dependence we observe in the excess variance is consistent with column-density variations predicted by a simple model for a clumpy wind. We identify spikes of increased variability with spectral features found by previous spectroscopic analyses of the same data set, most notably from silicon in over-dense clumps in the wind. In the silicon line region, the variability power is redistributed towards lower frequencies, hinting at increased line variability in large clumps. In prospect of the microcalorimetry missions that are scheduled to launch within the next decade, excess variance spectra present a promising approach to constraining the wind structure, especially if accompanied by models that consider changing ionisation.
Zement am Becken: Wohl oder Wehe?
Authors: Palm Hans-Georg , Groh Johannes , Perl Mario 
Published: October 2023

Zusammenfassung
Einleitung Pathologische Knochenmorphologie und Frakturen, sei es durch osteoporotische Veränderungen oder bösartige Prozesse, erfordern besonders stabile, im Idealfall auch minimalinvasive Osteosyntheseverfahren. Die additive Nutzung von Knochenzement hat hier Vor- aber auch Nachteile. Ziel dieses Literaturreviews ist es daher, die führenden Indikationen sowie Vor- und Nachteile für die Zementapplikation am Becken näher zu beleuchten.
Material und Methoden Es wurde eine PubMed-Recherche mit Fokus auf die Suchbegriffe „cement, pelvic“ durchgeführt (648 Einträge) und die für die vorliegende Fragestellung besonders relevanten Artikel wurden ausgewertet.
Ergebnisse und Diskussion Die aktuelle Literatur setzt sich im
Wesentlichen mit folgenden 4 Themenfeldern auseinander: Zementoplastie, Zementaugmentation
sakroiliakaler Schrauben bzw. iliakaler Schrauben und perkutane Fixierung durch interne
zementierte Schraube. Es zeigt sich – bei strenger Indikationsstellung – eine weitgehend
zuverlässige, sichere und zumeist minimalinvasive Anwendbarkeit von Zement bei o. g.
Techniken, die eine niedrige Komplikationsrate aufweisen.
Fixação de fraturas em martelo com técnica de placa de gancho modificada: Uma série de casos prospectivos de 17 pacientes
Authors: Abubeih Hossam , Abdelhameed Mohammed Anter , Morsy Mohamed , Khalifa Ahmed A. , Mostafa Khaled Mohamed , Said Galal Zaki 
Published: October 2023

Resumo
Objetivo Diversas modalidades têm sido sugeridas para o tratamento de fraturas em martelo; no entanto, o tratamento inadequado pode causar retardo de extensão, deformidade em pescoço de cisne ou artrite da articulação interfalangiana distal (AIFD). Este estudo teve como objetivo avaliar os desfechos (funcionais, radiológicos e complicações) da redução aberta e fixação interna (RAFI) das fraturas em martelo com placas de gancho de baixo custo fabricadas com mini placas de titânio de baixo perfil.
Métodos Série de casos prospectivos de 17 pacientes consecutivos (idade média de 32,3 anos) com fraturas em martelo (seis do tipo IB e 11 do tipo IIB de Wehbe). Onze (64,7%) pacientes eram do sexo masculino. A mão acometida era a dominante em todos os pacientes, com acometimento do dedo indicador em seis (35,3%), anelar em cinco (29,4%), mínimo em três (17,65%) e médio em três (17,65%) pacientes. O mesmo cirurgião de mão experiente realizou todas as cirurgias.
Resultados O tempo operatório médio foi de 37,65 minutos. Após um acompanhamento médio de 10,94 meses (intervalo de 6 a 27), observou-se movimento médio da AIFD de 50° (intervalo de 20° a 70°), retardo de extensão em quatro (23,5%) pacientes e complicações em seis (35,29%) pacientes. De acordo com os critérios de Crawford, os desfechos foram excelentes em seis (35,3%), bons em sete (41,2%) e regulares em quatro (23,5%) pacientes.
Conclusão A técnica da placa de gancho modificada para fixação de fraturas em martelo é benéfica e econômica, mas exigente; permite fixação estável e adequada para permitir a movimentação precoce da AIFD com desfechos funcionais aceitáveis.
F-waves persistence in peripheral sensory syndromes
Authors: Lima Fabricio Diniz de , Martinez Alberto Rolim Muro , Schmitt Gabriel da Silva , França Andrea Fernandes Eloy da Costa , Velho Paulo Eduardo Neves Ferreira , Akita Juliana , Garbino José Antônio , Nucci Anamarli , França Jr Marcondes Cavalcante 
Published: October 2023

Abstract
Background The distinction between sensory neuronopathies (SN), which is by definition purely sensory, and sensory polyneuropathies (SP) and sensory multineuropathies (SM) is important for etiologic investigation and prognosis estimation. However, this task is often challenging in clinical practice. We hypothesize that F-wave assessment might be helpful, since it is able to detect subtle signs of motor involvement, which are found in SP and SM, but not in SN.
Objective The aim of the present study was to determine whether F-waves are useful to distinguish SN from SP and SM.
Methods We selected 21 patients with SP (12 diabetes mellitus, 4 transthyretin familial amyloid polyneuropathy, 4 others), 22 with SM (22 leprosy), and 26 with SN (13 immune-mediated, 10 idiopathic, 3 others) according to clinical-electrophysiological-etiological criteria. For every subject, we collected data on height and performed 20 supramaximal distal stimuli in median, ulnar, peroneal, and tibial nerves, bilaterally, to record F-waves. Latencies (minimum and mean) and persistences were compared across groups using the Kruskal-Wallis and Bonferroni tests. P-values < 0.05 were considered significant.
Results All groups were age, gender, and height-matched. Overall, there were no significant between-group differences regarding F-wave latencies. In contrast, F-wave persistence was able to stratify the groups. Peroneal F-wave persistence was higher, bilaterally, in the SN group compared to SM and SP (p < 0.05). In addition, F-waves persistence of the ulnar and tibial nerves was also helpful to separate SN from SP (p < 0.05).
Conclusion F-wave persistence of the peroneal nerves might be an additional and useful diagnostic tool to differentiate peripheral sensory syndromes.
Clinical characteristics of headaches in an urban Mennonite group in South Brazil
Authors: Dück David Lemke , Utiumi Marco Antonio Takashi , Boldt Angelica Beate Winter , Piovesan Elcio Juliato 
Published: October 2023

Abstract
Background Genetic variants play a pathophysiological role in headaches, especially in migraine. The Mennonite group (MG) has been geographically and genetically isolated throughout its history, harboring a distinctive distribution of diseases.
Objective To determine the characteristics of headaches in a group with direct Mennonite ancestry contrasting with other urban community members (control group [CG]).
Methods Subjects with headaches were asked to complete a questionnaire covering: the type of headache, presence of aura, frequency and duration of attacks, pain location and severity, analgesic consumption, premonitory and postdromic manifestations, Depressive Thoughts Scale, Epworth Sleepiness Scale (ESS), General Anxiety Disorder-7, Patient Health Questionnaire-9 (PHQ-9), Migraine Disability Assessment, and Composite Autonomic System Score.
Results We included 103 participants (CG: 45, Mennonite group [MG]: 58). Migraine was the most common headache (CG: 91.1%; MG: 81.0%; p = 0.172), followed by tension-type headache (CG: 8.9%; MG: 15.5%; p = 0.381). Aura was identified by 44.4% and 39.7% in the CG and MG, respectively (p = 0.689). The groups differed only concerning the frequency of retro-orbital pain (CG: 55.6%; MG: 32.8%; p = 0.027), PHQ-9 (CG: median 7, range 0 to 22; MG: median 5, range 0 to 19; p = 0.031) and ESS (CG: median 0, range 0 to 270; MG: median 0, range 0 to 108; p = 0.048) scores.
Conclusion There were no major differences in the prevalence and clinical characterization of headaches between the MG and the CG. However, the latter showed more diffuse pain, sleepiness, and depressive symptoms. Specific genetic or epigenetic variants in Mennonite descendants might account for these differences.
Prevalence of fibromyalgia in a Brazilian series of patients with multiple sclerosis
Authors: Thomas Cinthia , Schneider Bianca Thais , Verza Caroline Schiochet , Fassina Gabriel , Weber Laís Restel , Moreira Marlinton , Fusinato Paula Tormen , Forcelini Cassiano Mateus 
Published: October 2023

Abstract
Background The prevalence of pain in patients with multiple sclerosis is remarkable. Fibromyalgia has been considered as one of the forms of chronic pain encompassed in multiple sclerosis, but data are restricted to studies from Europe and North America.
Objective To assess the prevalence of fibromyalgia in a series of Brazilian patients with multiple sclerosis and the characteristics of this comorbidity.
Methods The present cross-sectional study included 60 consecutive adult patients with multiple sclerosis. Upon consent, participants underwent a thorough evaluation for disability, fatigue, quality of life, presence of fibromyalgia, depression, and anxiety.
Results The prevalence of fibromyalgia was 11.7%, a figure similar to that observed in previous studies. Patients with the comorbidity exhibited worse scores on fatigue (median and interquartile range [IQR]: 68 [48–70] versus 39 [16.5–49]; p < 0.001), quality of life (mean ± standard deviation [SD]: 96.5 ± 35.9 versus 124.8 ± 28.8; p = 0.021), anxiety (mean ± SD: 22.7 ± 15.1 versus 13.8 ± 8.4; p = 0.021), and depression (median and IQR: 23 [6–28] versus 6 [3–12.5]; p = 0.034) indices than patients without fibromyalgia. There was a strong positive correlation between depression and anxiety scores with fatigue (r = 0.773 and r = 0.773, respectively; p < 0.001). Conversely, a moderate negative correlation appeared between the Expanded Disability Status Scale (EDSS), fatigue, and depression scores with quality of life (r= −0.587, r= −0.551, r= −0.502, respectively; p < 0.001).
Conclusion Fibromyalgia is a comorbidity of multiple sclerosis that can enhance fatigue and decrease quality of life, although depression, anxiety, and disability are factors that can potentiate the impact of the comorbidity.
Similar electronic state effect enables excellent activity for nitrate-to-ammonia electroreduction on both high- and low-density double-atom catalysts
Authors: Lv Wenjing , Deng Jianming , Wu Donghai , He Bingling , Tang Gang , Ma Dongwei , Jia Yu , Lv Peng 
Published: October 2023

Double-atom catalysts (DACs) for harmful nitrate (NO3−) electroreduction to valuable ammonia (eNO3RR) is attractive for both environmental remediation and energy transformation. However, the limited metal loading in most DACs largely hinders their applications in practical catalytic applications. Therefore, exploring ultrahigh-density (UHD) DACs with abundant active metal centers and excellent eNO3RR activity is highly desired under the site-distance effect. Herein, starting from the experimental M2N6 motif deposited on graphene, we firstly screened the low-density (LD) Mn2N6 and Fe2N6 DACs with high eNO3RR activity and then established an appropriate activity descriptor for the LD–DAC system. By utilizing this descriptor, the corresponding Mn2N6 and Fe2N6 UHD–DACs with dynamic, thermal, thermodynamic, and electrochemical stabilities, are identified to locate at the peak of activity volcano, exhibiting rather-low limiting potentials of −0.25 and −0.38 V, respectively. Further analysis in term of spin state and orbital interaction, confirms that the electronic state effect similar to that of LD–DACs enable the excellent eNO3RR activity to be maintained in the UHD–DACs. These findings highlight the promising application of Mn2N6 and Fe2N6 UHD–DACs in nitrate electroreduction for NH3 production and provide impetus for further experimental exploration of ultrahigh-density DACs based on their intrinsic electronic states.