By conducting an analysis of chloride migration in concrete, it is possible to enhance the durability of concrete structures and mitigate the risk of corrosion. In addition, the utilization of machine learning techniques that can effectively forecast the chloride migration coefficient of concrete shows potential as a financially viable and less complex substitute for labour-intensive experimental evaluations. The existing models for predicting chloride resistance encounter two primary challenges: the constraints imposed by a limited dataset and the absence of certain input variables. These factors collectively contribute to a decrease in the overall effectiveness of these models. Therefore, this study aims to propose an advanced approach for dataset cleaning, utilizing a comprehensive experimental dataset comprising 1073 pre-existing experimental outcomes. The proposed model for predicting the chloride diffusion coefficient incorporates various input variables, such as water content, cement content, slag content, fly ash content, silica fume content, fine aggregate content, coarse aggregate content, superplasticizer content, fresh density, compressive strength, age of compressive strength test, and age of migration test. The utilization of the artificial neural network (ANN) technique is also employed for the processing of missing data. The current supervised learning incorporates both regression and classification tasks. The efficacy of the proposed models for accurately predicting the chloride diffusion coefficient has been effectively validated. The findings indicate that the XGBoost and SVM algorithms exhibit superior performance compared to other regression prediction algorithms, as evidenced by their high R2 scores of 0.94 and 0.91, respectively. In relation to classification algorithms, the findings demonstrate that the Random Forest, LightGBM, and XGBoost models exhibit the highest levels of accuracy, specifically 0.93, 0.96, and 0.97, respectively. Furthermore, a website has been developed that is capable of predicting the chloride migration coefficient and chloride penetration resistance of concrete.
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http://dx.doi.org/10.1038/s41598-023-42270-3 | DOI Listing |
Environ Geochem Health
January 2025
School of Environmental Science and Engineering, Shandong University, Qingdao, 266237, China.
Groundwater arsenic (As), contamination is a significant issue worldwide including China and Pakistan, particularly in canal command areas. In this study, 131 groundwater samples were collected, and three machine learning models [Random Forest (RF), Logistic Regression (LR), and Artificial Neural Network (ANN)] were employed to predict As concentration. Descriptive statistics helped to conclude that all of the samples were inside the permitted limit of WHO for pH, Ca, Mg, Turbidity, Cl, K, Na, SO, NO, F and beyond limit of WHO for EC, HCO, TDS, and As.
View Article and Find Full Text PDFPediatr Pulmonol
January 2025
Beatrix Children's Hospital Department of Pediatric Pulmonology and Pediatric Allergy, University of Groningen, University Medical Center Groningen, Groningen, The Netherlands.
Introduction: Lumacaftor/ivacaftor (lum/iva) was introduced in the Netherlands in 2017. We investigated 1-year efficacy of lum/iva on lung function and small airway and structural lung disease evaluated by multiple breath nitrogen washout and CT scan. Additionally, we investigated effects of lum/iva on exacerbations, anthropometry, sweat chloride and safety in children with CF in the Netherlands.
View Article and Find Full Text PDFEnviron Monit Assess
January 2025
College of Earth Science and Engineering, Shandong University of Science and Technology, Qingdao, 266590, Shandong, China.
A comprehensive scientific analysis of temporal and spatial fluctuations of pollutants during the migration of groundwater is essential for precisely predicting their dispersion patterns and promoting rational regional development planning. In this research paper, a field radial dispersion test was conducted in decentralized drinking water sources downstream of the Fu Tuan River basin in Rizhao City, Shandong Province, China (FRSC). Chloride ion (Cl) solution was utilized as a tracer for the experiment.
View Article and Find Full Text PDFSci Adv
January 2025
SciLifeLab, Department of Applied Physics, KTH Royal Institute of Technology, Tomtebodävagen 23, Solna, 17165 Stockholm, Sweden.
γ-Aminobutyric acid type A (GABA) receptors are ligand-gated ion channels in the central nervous system with largely inhibitory function. Despite being a target for drugs including general anesthetics and benzodiazepines, experimental structures have yet to capture an open state of classical synaptic α1β2γ2 GABA receptors. Here, we use a goal-oriented adaptive sampling strategy in molecular dynamics simulations followed by Markov state modeling to capture an energetically stable putative open state of the receptor.
View Article and Find Full Text PDFPharmaceuticals (Basel)
November 2024
Department of Chemical and Pharmaceutical Sciences, Faculty of HSSCE, Kingston University, Kingston-upon-Thames KT1 2EE, UK.
A range of NMR techniques, including diffusion ordered spectroscopy (DOSY) were used to characterise complex micelles formed by the anti-microbial cationic surfactant cetylpyridium chloride and to quantify the degree of interaction between cetylpyridium chloride and hydroxyethyl cellulose in a variety of commercially relevant formulations as a model for the disk retention assay. This NMR-derived binding information was then compared with the results of formulation analysis by traditional disk retention assay (DRA) and anti-microbial activity assays to assess the suitability of these NMR techniques for the rapid identification of formulation components that could augment or retard antimicrobial activity DRA. NMR showed a strong ability to predict anti-microbial activity for a diverse range of formulations containing cetylpyridinium chloride (CPC).
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