bluuebunny/crossref_metadata_2025_split huggingface dataset:
State of the roadside environment from repair works using various materials
Authors: Bieliatynskyi A. , Yang S. , Pershakov V. , Shao M. , Ta M. 
Published: June 2023

AbstractThe relevance of the study is conditioned by the importance of the final condition of the roadside environment after road maintenance using various structural materials. The purpose of this study is to determine the state of the road environment after repair works using various materials in the context of performing a comparative analysis of such a state and identifying key aspects that take place during repair work to restore the integrity of the roadway using certain construction materials. The leading approach is a combination of methods of system analysis of various aspects of road repair and construction using various structural materials, with an experimental and analytical study of the processes occurring in the roadside environment during works with various materials, with the aim to form the necessary scientific basis for comparing the findings. The study results clearly demonstrate the degree of dependence of the roadside environment after repair works on the use of specific materials, since the quality of the building materials used is crucial from the standpoint of further road safety and the state of the roadside environment after performing particular works.
Hemodynamic signal changes and functional connectivity in acute stroke patients with dysphagia during volitional swallowing: a pilot study
Authors: Wen Xin , Peng Junwei , Zhu Yanying , Bao Xiao , Wan Zihao , Hu Rongliang , Liu Huiyu , Li Fang , Liu Zicai 
Published: June 2023

AbstractBackgroundDysphagia is one of the major post‐stroke complications, understanding post‐stroke changes in cortical excitability and promoting early remodeling of swallowing‐related cortical areas to enable accurate treatment is essential for recovery of patients.ObjectivesWe aimed to investigate hemodynamic signal changes and functional connectivity in acute stroke patients with dysphagia compared to age‐matched healthy participants in response to volitional swallowing using functional near‐infrared spectroscopy (fNIRS) in this pilot study.MethodsPatients with first‐ever post‐stroke dysphagia having an onset of 1–4 weeks and age‐matched right‐handed healthy subjects were recruited in our study. fNIRS with 47 channels was utilized to detect the oxyhemoglobin (HbO2) and reduced hemoglobin (HbR) concentration changes when volitional swallowing. Cohort analysis was performed by a one‐sample t‐test. Two‐sample t‐test was utilized to compare the difference in cortical activation between patients with post‐stroke dysphagia and healthy subjects. Furthermore, the relative changes in the concentration of the HbO2 throughout the experimental procedure were extracted for the functional connectivity analysis. The Pearson correlation coefficients of the HbO2 concentration of each channel were analyzed on a time series, and then a Fisher Z transformation was then performed, and the transformed values were defined as the functional connection strengths between the channels.ResultsIn this present study, a total of nine patients with acute post‐stroke dysphagia were enrolled in the patient group and nine age‐matched healthy participants in the healthy control group. Our study observed that the extensive regions of the cerebral cortex were activated in the healthy control group, while the activation area of patient group's cortical regions was quite limited. The mean functional connectivity strength of participants was 0.485 ± 0.105 in the healthy control group, and 0.252 ± 0.146 in the patient group, with a significant difference between the two groups (p = 0.001).ConclusionCompared to the healthy individuals, cerebral cortex regions of acute stroke patients were only marginally activated during volitional swallowing task, and the average functional connectivity strength of cortical network in patients was relatively weaker.
A survey of knowledge and practice of simulation among health tutors in selected health training institutions
Authors: Alhassan Barikisu Ategtoore , Diebieri Maximous , Anliengmene Aloysius Ali , Issah Shirley 
Published: June 2023

AbstractAimThe aim of the study was to describe the knowledge and practice of simulation among health tutors with a view to promoting the use of simulation in health training institutions in the Northern and Upper East Regions of Ghana.DesignThe study was quantitative research that utilized a descriptive cross‐sectional survey to describe the knowledge and practice of simulation in teaching.MethodsA structured questionnaire was used to collect data from 138 health tutors who were enumerated through the census for the study. The return rate was 87%, representing 120 health tutors who finally completed the study. The data were presented by means of descriptive statistics.ResultsThe findings of the study revealed that few participants had adequate knowledge of simulation. The study also found that a slight majority of the participants practiced simulation in teaching. The study further found that there was a positive correlation between health tutors' knowledge and the practice of simulation. Indicating that an increase in the health tutors' knowledge of simulation is associated with an increase in their practice of simulation.
Comparing Aerosol Generation in Human and Animal Tissues During Common Otolaryngology Procedures
Authors: Nielson Christopher , Kelly Kerry , Attah Reuben , Pei Zheyuan , Wang Yong , Firpo Matthew A. , Park Albert H. 
Published: June 2023

AbstractObjectiveTo determine whether hamster and human tissues generate similar amounts of aerosolized particles using common otolaryngology surgical techniques.Study DesignQuantitative experimental research.Study SettingUniversity research laboratory.MethodsDrilling, electrocautery, and coblation were performed on human and hamster tissues. Particle size and concentration were measured during the surgical procedures using a scanning mobility particle sizer and an aerosol particle sizer (SMPS‐APS) and GRIMM aerosol particle spectrometer.ResultsSMPS‐APS and GRIMM measurements detected at least 2‐fold increases in aerosol concentrations compared to baseline during all procedures. Procedures performed on human and hamster tissues produced similar trends and order of magnitude of aerosol concentrations. Generally, hamster tissues produced higher aerosol concentrations compared to human tissues, and some of these differences were statistically significant. Mean particle sizes for all procedures were small (<200 nm), although statistically significant differences in particle size were identified between human and hamster tissues during coblation and drilling.ConclusionAerosol‐generating procedures performed on human and hamster tissue produce similar trends in aerosol particle concentrations and sizes, although we observed some differences between the 2 tissue types. Further studies should be performed to understand the clinical significance of these differences.
Extremely thinning ribs in severe congenital myopathy
Authors: Chen Yan , Zhang Yongjun 
Published: June 2023

AbstractA full‐term boy born with global hypotonia, weakness, and respiratory insufficiency was finally diagnosed as X‐linked centronuclear myopathy by whole exome sequencing, with a mutation in the MTM1 gene encoding myotubularin. In addition to the typical phenotypes, the infant had a distinctive feature in his chest x‐ray, extremely thinning ribs. This was presumably due to scarcely antepartum work of breathing and may be an important suggestive indicator for skeletal muscle conditions.
Estimation of model accuracy in CASP15 using the ModFOLDdock server
Authors: Edmunds Nicholas S. , Alharbi Shuaa M. A. , Genc Ahmet G. , Adiyaman Recep , McGuffin Liam J. 
Published: June 2023

AbstractIn CASP15, there was a greater emphasis on multimeric modeling than in previous experiments, with assembly structures nearly doubling in number (41 up from 22) since the previous round. CASP15 also included a new estimation of model accuracy (EMA) category in recognition of the importance of objective quality assessment (QA) for quaternary structure models. ModFOLDdock is a multimeric model QA server developed by the McGuffin group at the University of Reading, which brings together a range of single‐model, clustering, and deep learning methods to form a consensus of approaches. For CASP15, three variants of ModFOLDdock were developed to optimize for the different facets of the quality estimation problem. The standard ModFOLDdock variant produced predicted scores optimized for positive linear correlations with the observed scores. The ModFOLDdockR variant produced predicted scores optimized for ranking, that is, the top‐ranked models have the highest accuracy. In addition, the ModFOLDdockS variant used a quasi‐single model approach to score each model on an individual basis. The scores from all three variants achieved strongly positive Pearson correlation coefficients with the CASP observed scores (oligo‐lDDT) in excess of 0.70, which were maintained across both homomeric and heteromeric model populations. In addition, at least one of the ModFOLDdock variants was consistently ranked in the top two methods across all three EMA categories. Specifically, for overall global fold prediction accuracy, ModFOLDdock placed second and ModFOLDdockR placed third; for overall interface quality prediction accuracy, ModFOLDdockR, ModFOLDdock, and ModFOLDdockS were placed above all other predictor methods, and ModFOLDdockR and ModFOLDdockS were placed second and third respectively for individual residue confidence scores. The ModFOLDdock server is available at: https://www.reading.ac.uk/bioinf/ModFOLDdock/. ModFOLDdock is also available as part of the MultiFOLD docker package: https://hub.docker.com/r/mcguffin/multifold.
The influences of green light on locomotion, growth and reproduction in the brown planthopper Nilaparvata lugens
Authors: Shi Longqing , Qiu Liangmiao , Jiang Zhaowei , Xie Zhenxing , Dong Meng , Zhan Zhixiong 
Published: June 2023

AbstractBACKGROUNDLight stimulation at a specific wavelength triggers various responses in insects and can be used for pest control. To develop efficient and ecofriendly photophysical pest control methods, the effects of green light on locomotion, growth (molting and eclosion) and reproduction in Nilaparvata lugens (Stål) (BPH), a major rice pest, were studied. Transcriptomics and transmission electron microscopy (TEM) were used to investigate the mechanisms involved.RESULTSBPH adults showed disrupted daily locomotion patterns following green light treatment at night and exhibited abnormal locomotion peaks. Total 6‐day locomotion of brachypterous adults was significantly greater than in the control group. The durations of growth stages 1–4 were all shorter under green light treatment than in the control, whereas the time from fourth molting to eclosion (stage 5) was significantly longer. When BPH adults under green light treatment began laying eggs, the egg hatching ratio (36.69%) was significantly lower than in the control (47.49%). Moreover, in contrast to the control, BPH molting and eclosion events tended to happen more at night. Transcriptome analysis proved that green light significantly affected the expression of genes involved in cuticular proteins, chitin deacetylase and chitinase, which are related to cuticular development. TEM observations confirmed abnormal cuticular development in nymph and adult BPHs (endocuticle, exocuticle and pore canals) under green light treatment.CONCLUSIONGreen light treatment at night notably affected locomotion, growth and reproduction in BPH, thus providing a novel idea for controlling this pest. © 2023 Society of Chemical Industry.
Obtaining the molar heat capacities and entropies of HCl and HBr by combining density functional theory and machine learning algorithm
Authors: Yang Zhangzhang , He Guiling , Wei Qinqin , Fu Jia , Fan Qunchao , Xie Feng , Zhang Yi , Ma Jie 
Published: June 2023

AbstractAn integrated approach combing density functional theory (DFT) and machine learning algorithm (MLA) is proposed here to obtain the molar heat capacities and entropies of diatomic macroscopic gasses with high quality. The DFT approach takes care of the main physical effects, while machine learning takes care of the intricate details it leaves out. After machine learning algorithm correction, a complete set of accurate prediction of vibrational energy spectrum is obtained, which is better than the results of DFT methods in accuracy. And then it is used to replace the vibrational part in the ro‐vibrational energy calculated by DFT to obtain the rectified ro‐vibrational energy. Furthermore, through the quantum ensemble theory, the thermodynamic properties of the macroscopic gas are calculated by the predicted ro‐vibrational energy spectrum, and are modified again by the machine learning algorithm. The study of the and system show that, compared with CCSD(T)/cc‐pV5Z and the improved variational algebraical method, the macroscopic thermodynamic properties calculated by this work in the temperature range of 300–6000 K are the closest to the experimental values. The relative error is less than 1% at each temperature.
Grounding alcohol simulation models in empirical and theoretical alcohol research: a model for a Northern Plains population in the United States
Authors: Deutsch Arielle R. , Chau Edward , Motabar Nikki , Jalali Mohammad S. 
Published: June 2023

AbstractThe growing number of systems science simulation models for alcohol use (AU) are often disconnected from AU models within empirical and theoretical alcohol research. As AU prevention/intervention efforts are typically grounded in alcohol research, this disconnect may reduce policy testing results, impact, and implementation. We developed a simulation model guided by AU research (accounting for the multiple AU stages defined by AU behavior and risk for harm and diverse transitions between stages). Simulated projections were compared to historical data to evaluate model accuracy and potential policy leverage points for prevention and intervention at risky drinking (RD) and alcohol use disorder (AUD) stages. Results indicated prevention provided the greatest RD and AUD reduction; however, focusing exclusively on AUD prevention may not be effective for long‐term change, given the continued increase in RD. This study makes a case for the strength and importance of aligning subject‐based research with systems science simulation models. © 2023 System Dynamics Society.
Tolerance of Sonidegib after Intolerance of Vismodegib—Experience in Two Patients with Nevoid Basal Cell Carcinoma Syndrome (Gorlin Syndrome)
Authors: Venturi Federico , Trane Luciana , Silvestri Flavia , Zuccaro Biancamaria , Magnaterra Elisabetta , De Giorgi Vincenzo 
Published: June 2023

Abstract
Nevoid basal cell carcinoma syndrome (NBCCS, Gorlin syndrome) is a rare genetic condition characterized by the early development of numerous cutaneous basal cell carcinomas (BCCs). Although most BCCs are surgically treated with total resection, some of the lesions may proceed to a locally advanced or metastatic stage. Systemic treatment with a hedgehog inhibitors (HHIs) such as Vismodegib or Sonidegib is indicated in this population. We report cases of two patients with confirmed diagnoses of NBCCS. Both patients had undergone multiple surgical excisions and had been treated with oral Vismodegib 150 mg/day for a locally advanced tumour. They both discontinued the therapy due to its specific adverse effects (AEs) and are now being treated with oral Sonidegib, which has had better tolerability and a complete response. The aims of this report was to demonstrate the efficacy of HHI treatment with Sonidegib in patients with NCBBS who had previously treated with Vismodegib but discontinued it because of its specific AEs. Our experience in two patients shows that Sonidegib can be considered in Gorlin patients intolerant but responding to Vismodegib.
Cyclo[18]carbon as a Hazardous Gas Scavenger: Effect of Boron and Nitrogen Doping on Molecular Adsorption
Authors: Vadalkar Shardul , Chodvadiya Darshil , Som Narayan N. , Vyas Keyur N. , Jha Prafulla K. 
Published: June 2023

AbstractDoping is one of the most important mechanisms to enhance the molecular adsorption performance of bulk and nanostructures. Here, we have investigated the adsorption performance of Boron and Nitrogen doped C18 nanocluster (or C17X : X=B,N) towards the gases CO, NO and NH3 by means of first principles calculations. The structural, electronic, and sensing properties of C17X nanoclusters are studied to understand their sensing behavior, using gaussian 09 package. The interaction of C17B nanocluster with CO, NO and NH3 molecules results into chemical adsorption with order of adsorption energies as: CO (−1.41 eV)>NH3 (−1.81 eV)>NO (−2 eV). However, in case of C17N, the interaction with CO and NH3 results into physisorption, and chemisorption is observed only for its interaction with NO gas molecule. The adsorption energy order goes as: CO (−0.15 eV)>NH3 (−0.25 eV)>NO (−1.32 eV). The long recovery time in case of C17B nanocluster after the adsorption, makes it suitable for removal application, whereas shorter recovery time (in case of C17N nanocluster for CO and NH3 adsorption), is suitable for sensor application.
Pharmacological Potential of Pyrmidine Derivatives: A Review With Emphasis on Antiviral Effects and Virtual Screening Against Sars‐Cov‐2 Molecular Targets
Authors: Caique Santos Costa Érick , Monte Zenaide S. , Falcão Emerson P. S. , dos Santos Maia Mayara , Priscila Barros de Menezes Renata , Scotti Luciana , Tullius Scotti Marcus , José de Melo Sebastião 
Published: June 2023

AbstractThe importance of R&D of new antivirals has been highly evident with the emergence of the pandemic caused by SARS‐CoV‐2. Pyrimidines are heterocyclic compounds with a broad biological spectrum. In this review we emphasize the antiviral application of pyrimidines. Scientific articles, drug and patent registrations were searched using terms involving antiviral pyrimidines. Between 2012 and 2022, more than 100 articles, which show the broad antiviral spectrum of these compounds, were added in this review. The publications of the last five years were prioritized. Anti‐HIV applications were found, their use more evident within the framework of antivirals; among others found were anti‐influenza, anti‐arboviral, and anti‐hepatitis viruses. The results found in the drug and patent databases corroborate the scenario observed in the analysis of scientific articles and demonstrate the importance of researching pyrimidine compounds in periods of great impact on global health. Additionally, through virtual screening of 119 pyrimidines from an in‐house library, we found seventeen pyrimidines with high binding potential with the Mpro and RdRp proteins of SARS‐CoV‐2. Almost all seventeen compounds showed good pharmacokinetic and toxicological profile, mainly compounds 150 and 151 being considered promising for biological evaluation against SARS‐CoV‐2.
Synthesis and Structural Characterization of Azine Based Chemosensors for Ag+ Ion Detection and Their Theoretical Investigations.
Authors: Manigandan Subramani , Muthusamy Athianna , Nandhakumar Raju , Prabakaran Gunasekaran 
Published: June 2023

AbstractA novel azine monomer and its oligomeric esters were synthesized and applied to chemosensor applications. Among the series of metal ions, the fluorophores show selective and sensitive “turn off” response towards Ag+ ions. The stoichiometry and binding constant are calculated using the Stern‐Volmer equation and Benesi‐Hildebrand plots, respectively. The fluorophore‘s capability for quantitative analysis of Ag+ ions was studied. The quenching mechanism LMCT and PET behind the “turn off” response was confirmed. The conductivity nature of iodine doped and undoped oligoesters was studied. The dielectric behaviour of oligoesters was also studied to determine the possibility of oligoesters in making passive components such as capacitors and resistors. All the results obtained from chemosensor and electrical studies were validated using a theoretical (DFT) analysis using B3LYP/6–311++G(d,p) level basis set.
Alanine‐Induced Alteration of Organogelation Properties of Phenylalanine‐Based Shortest Peptide Sequence
Authors: Roy Sruti Singha , Goswami Atmaja , Mukherjee Dipanjan , Ghosh Ria , Pal Samir Kumar , Banerjee Raja 
Published: June 2023

AbstractShort peptide based Low‐molecular‐weight‐organogelators (LMWGs), or supramolecular gels have recently gained large attention due to their enormous application in several biophysical and biochemical contexts. Out of the 20 naturally occurring amino acids Phenylalanine (Phe) acts as a good organogelators. Biophysical parameters like heat, pH, and solvent polarity, along with light, ultrasound, ions, can affect in alteration of supramolecular self‐aggregation at the molecular level in moderate length of peptide sequences; however, we focused here on how the conformational characteristics and supramolecular assemblages of the excellent LMWG Phe would be influenced by its substitution with similar hydrophobic amino acids (e.g Ala) in the same organic solvent even in the shortest two residue sequence. Using different microscopic and biophysical techniques, it is observed that the supreme capability of Phe residue as LMWG in the formation of supramolecular self‐aggregation in Hex‐Phe(1)‐Phe(2)‐OMe (FF) in organic solvents has been completely altered from fibrillary dendrimeric network to the crystalline phase by substitution with Ala at the C‐terminal [Hex‐Phe(1)‐Ala(2)‐OMe](FA) in a simple two residue sequence. This demonstrates unequivocally how a little change in the peptide side chain has the unique ability to form a distinct 3D supramolecular assembly and establishes the context‐dependent supramolecular morphology of the peptide‐based LMWG.
Efficient and Selective Hydrogenolysis of 5‐Hydroxymethylfurfural to 2,5‐Dimethylfuran by a Bimetallic Copper‐Palladium Catalyst on a Carbon‐Doped Boron Nitride Support
Authors: Chen Xiaoyan , Wang Jingjing , Du Zhao , Cai Huayi , Huang Yang , Chen Guifeng , Tang Chengchun , Fang Yi 
Published: June 2023

AbstractIn the present world, 2,5‐dimethylfuran (DMF), as a renewable liquid fuel, is valuable for maintaining ecological stability. Therefore, it is quite necessary to enhance the selectivity of DMF during the hydrodeoxygenation (HDO) of 5‐hydroxymethylfurfural (HMF) to DMF. In this paper, a copper‐palladium bimetal supported on carbon‐doped boron nitride (BCN) catalyst was prepared as a class of catalyst for HDO. Notably, under the combined action of Cu−Pd alloy and support, the catalyst of 10Cu3Pd/BCN showed remarkable activity with high selectivity (99.2 %) for DMF. In addition, the packing and dispersion of the alloy particles by the carrier improved the cycling performance of the catalyst. Therefore, the selection of 10Cu3Pd/BCN as a catalyst for HDO has excellent application prospects.