Scientific Reports最新文献

筛选
英文 中文
Durability characteristics of geopolymer concrete produced using gold ore tailings along with recycled coarse aggregates. 用金尾矿和再生粗骨料生产地聚合物混凝土的耐久性特性
IF 3.8 2区 综合性期刊
Scientific Reports Pub Date : 2025-04-08 DOI: 10.1038/s41598-025-97056-6
Eshwarayya Bolluru Lokesha, Mangalpady Aruna, Sandi Kumar Reddy
{"title":"Durability characteristics of geopolymer concrete produced using gold ore tailings along with recycled coarse aggregates.","authors":"Eshwarayya Bolluru Lokesha, Mangalpady Aruna, Sandi Kumar Reddy","doi":"10.1038/s41598-025-97056-6","DOIUrl":"https://doi.org/10.1038/s41598-025-97056-6","url":null,"abstract":"<p><p>The Gold Ore Tailings (GOTs) are one of the major waste materials in the mining sector. The disposal of these tailings could be a problem for human health and a major environmental concern for several years. In this research work, the GOTs were used as an alternative material to the River Sand (RS) in the production of Geopolymer Concrete (GPC). Thus developed GPC samples were tested for its durability characteristics, such as resistance to sulphates and chlorides. The sulphate attack test was conducted by immersing the Conventional Concrete (CC) and GPC samples in 5% Magnesium Sulphate (MgSO<sub>4</sub>) solution for various curing periods. In this test, the GPC samples showed a reduction in compressive strength and weight, which is slightly more when compared to CC samples. The Rapid Chloride Penetration Test (RCPT) was also conducted to know the chloride ion penetration in which GPC samples exhibited less chloride penetration when compared to CC samples. Further, the Toxic Characteristic Leaching Procedure (TCLP) analysis showed that the GOTs have very high concentrations of hazardous metals. However, the concentration of Cyanide (CN<sup>-</sup>) was minimal in GOTs. In this regard, geopolymerization would be a better method for immobilizing the hazardous metals in GOTs.</p>","PeriodicalId":21811,"journal":{"name":"Scientific Reports","volume":"15 1","pages":"12051"},"PeriodicalIF":3.8,"publicationDate":"2025-04-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143812427","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"综合性期刊","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
The buffering effects of mindfulness and organizational support on the mental health of hospital pharmacists in high-workload environments. 正念和组织支持对高负荷工作环境下医院药剂师心理健康的缓冲作用。
IF 3.8 2区 综合性期刊
Scientific Reports Pub Date : 2025-04-08 DOI: 10.1038/s41598-025-96354-3
Shazia Rehman, Khalid Abdullah Alotaibi, Erum Rehman, Muhammad Nasir Khan, Md Anisur Rahman, Bushra Yaqoob
{"title":"The buffering effects of mindfulness and organizational support on the mental health of hospital pharmacists in high-workload environments.","authors":"Shazia Rehman, Khalid Abdullah Alotaibi, Erum Rehman, Muhammad Nasir Khan, Md Anisur Rahman, Bushra Yaqoob","doi":"10.1038/s41598-025-96354-3","DOIUrl":"https://doi.org/10.1038/s41598-025-96354-3","url":null,"abstract":"<p><p>The present research aims to explore the impact of workload on the mental well-being of hospital pharmacists, focusing on the mediating roles of mindfulness and perceived organizational support (POS). Utilizing a cross-sectional design, data were collected from 411 hospital pharmacists in Punjab, Pakistan, during July-September 2023 via stratified sampling. Mental well-being was assessed using the Patient Health Questionnaire (PHQ-9), the workload was assessed by the NASA Task Load Index (NASA-TLX), mindfulness using the Five Facet Mindfulness Questionnaire-Short Form (FFMQ-SF), and POS using a modified version of the Survey of Perceived Organizational Support (SPOS). Confirmatory Factor Analysis (CFA) was performed to validate the measurement model, ensuring the accuracy and reliability of the constructs involved. Further, the study utilized the PROCESS macro within SPSS (v28) to conduct mediation analysis, evaluating both direct and indirect effects of workload on mental well-being through the proposed mediators. The findings revealed a significant negative influence of workload on the participants' mental well-being (β = - 0.472, p < 0.001). Three indirect pathways further affect this association: through mindfulness (β = - 0.208, p < 0.001), POS (β = - 0.135, p < 0.001), and serially through both mindfulness and POS (β = - 0.073, p < 0.001). These indirect effects collectively account for a substantial portion of the overall impact. The findings highlight the importance of implementing strategies to manage workload and enhance mindfulness and organizational support to promote the mental well-being of hospital pharmacists.</p>","PeriodicalId":21811,"journal":{"name":"Scientific Reports","volume":"15 1","pages":"11994"},"PeriodicalIF":3.8,"publicationDate":"2025-04-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143812435","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"综合性期刊","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
An enhanced moth flame optimization extreme learning machines hybrid model for predicting CO2 emissions. 一种用于预测二氧化碳排放的增强飞蛾火焰优化极限学习机混合模型。
IF 3.8 2区 综合性期刊
Scientific Reports Pub Date : 2025-04-08 DOI: 10.1038/s41598-025-95678-4
Ahmed Ramdan Almaqtouf Algwil, Wagdi M S Khalifa
{"title":"An enhanced moth flame optimization extreme learning machines hybrid model for predicting CO<sub>2</sub> emissions.","authors":"Ahmed Ramdan Almaqtouf Algwil, Wagdi M S Khalifa","doi":"10.1038/s41598-025-95678-4","DOIUrl":"https://doi.org/10.1038/s41598-025-95678-4","url":null,"abstract":"<p><p>This study introduces a novel hybrid model for accurate CO<sub>2</sub> emissions prediction, supporting sustainable decision-making. The model integrates the Gaussian mutation and shrink mechanism-based moth flame optimization (GMSMFO) algorithm with an extreme learning machine (ELM). GMSMFO enhances population diversity and avoids local optima through Gaussian mutation (GM), while the shrink mechanism (SM) improves exploration-exploitation balance. Validated on the congress on evolutionary computation (CEC2020) benchmark suite (dimensions 30 and 50), GMSMFO demonstrated superior performance compared to other optimization algorithms. Applied to fine-tune ELM parameters, the GMSMFO-ELM model achieved exceptional predictive accuracy, with a coefficient of determination (R<sup>2</sup>) of 96.5%, outperforming other hybrid models across metrics such as root mean squared error (RMSE), normalized root mean squared error (NRMSE), mean absolute error (MAE), and mean square error (MSE). Feature importance analysis highlighted economic growth, foreign direct investment, and renewable energy as key predictors. This study highlights the robustness and adaptability of GMSMFO-ELM, establishing it as a reliable framework for advancing global sustainability objectives.</p>","PeriodicalId":21811,"journal":{"name":"Scientific Reports","volume":"15 1","pages":"11948"},"PeriodicalIF":3.8,"publicationDate":"2025-04-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143812306","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"综合性期刊","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Impact of seasons on industrial grounding resistance. 季节对工业接地电阻的影响。
IF 3.8 2区 综合性期刊
Scientific Reports Pub Date : 2025-04-08 DOI: 10.1038/s41598-025-96702-3
Roman Sikora, Adrian Wilk, Przemysław Markiewicz, Ewa Korzeniewska
{"title":"Impact of seasons on industrial grounding resistance.","authors":"Roman Sikora, Adrian Wilk, Przemysław Markiewicz, Ewa Korzeniewska","doi":"10.1038/s41598-025-96702-3","DOIUrl":"https://doi.org/10.1038/s41598-025-96702-3","url":null,"abstract":"<p><p>A properly designed and constructed ground electrode should perform well for many years. It must be periodically inspected to know its current technical condition. This obligation falls on the installation's owner. Depending on the function of the ground electrode in the entire installation, it may be a working, protective or lightning protection earth. The choice of a measurement method depends on its function in the installation. The paper presents the results of measurements of the ground electrode resistance of a selected technical facility, performed throughout the year. Repeating the measurements multiple times in different seasons of the year was dictated by assessing the impact of environmental conditions on the results of grounding system resistance measurements. Analysis of the results performed in various environmental conditions may be the basis for recommending those performing this type of measurement to choose the appropriate method and the best date for performing the measurements. Considering the significant impact of the proper value of ground resistance on the effectiveness of protection against electric shock and lightning, its measurements should be carried out with due care.</p>","PeriodicalId":21811,"journal":{"name":"Scientific Reports","volume":"15 1","pages":"11962"},"PeriodicalIF":3.8,"publicationDate":"2025-04-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143812319","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"综合性期刊","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Formation mechanism of the (2 × 1) reconstruction of calcite (104). 方解石(2 × 1)重构的形成机理(104)。
IF 3.8 2区 综合性期刊
Scientific Reports Pub Date : 2025-04-08 DOI: 10.1038/s41598-025-95955-2
Haojun Zhou, Yingquan Chen, Mingyue Ding, Xiaoliang Zhong
{"title":"Formation mechanism of the (2 × 1) reconstruction of calcite (104).","authors":"Haojun Zhou, Yingquan Chen, Mingyue Ding, Xiaoliang Zhong","doi":"10.1038/s41598-025-95955-2","DOIUrl":"https://doi.org/10.1038/s41598-025-95955-2","url":null,"abstract":"<p><p>Calcite has recently attracted extensive research interest in fields ranging from geoscience to carbon dioxide removal. Although much effort has been made to study the (2 × 1) reconstruction of the most stable (104) surface, the origin of this reconstruction remains unclear. Here, we carefully investigated the atomic and electronic structures of calcite (104) via density functional theory methods with van der Waals corrections. The results unambiguously show that the driving force for this reconstruction is the intrinsic demands of surface atoms to increase the coordination numbers. Upon reconstruction, calcite (104) forms four additional Ca‒O bonds per (2 × 1) unit cell. In addition, the phonon spectra indicate that both the unreconstructed and reconstructed surfaces are dynamically stable. Finally, by applying the climbing image nudged elastic band method, an energy barrier is predicted during the reconstruction. This work provides a full picture of the formation of calcite (104)-(2 × 1) reconstruction and can greatly advance the understanding of surface science for calcite.</p>","PeriodicalId":21811,"journal":{"name":"Scientific Reports","volume":"15 1","pages":"11988"},"PeriodicalIF":3.8,"publicationDate":"2025-04-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143812254","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"综合性期刊","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Continental-scale behavioral response of birds to a total solar eclipse. 鸟类对日全食的大陆尺度的行为反应。
IF 3.8 2区 综合性期刊
Scientific Reports Pub Date : 2025-04-08 DOI: 10.1038/s41598-025-94901-6
David Mann, Austin Anderson, Amy Donner, Michael Hall, Stefan Kahl, Holger Klinck
{"title":"Continental-scale behavioral response of birds to a total solar eclipse.","authors":"David Mann, Austin Anderson, Amy Donner, Michael Hall, Stefan Kahl, Holger Klinck","doi":"10.1038/s41598-025-94901-6","DOIUrl":"https://doi.org/10.1038/s41598-025-94901-6","url":null,"abstract":"<p><p>Based on anecdotal evidence and research involving human observation and community science, radar analyses, and acoustical studies, birds are thought to stop singing and engage in nighttime behaviors such as roosting during a total solar eclipse. However, these research methodologies are limited by small sample sizes, potential effects of human observation altering birds' behaviors, and biases in human-recorded findings. Here we show how a community science network of bioacoustics devices using machine learning revealed a decrease in bird vocalization across North America at sites which experienced more than 99% maximum solar obscuration during the total solar eclipse on April 8, 2024. There was variability between sites in bird vocalization responses to a solar eclipse after controlling for human presence. A widely distributed, connected, and automated passive acoustics monitoring system will allow research into the impact on wildlife of wide spatiotemporal, continental-scale events including wildfires and extreme weather events.</p>","PeriodicalId":21811,"journal":{"name":"Scientific Reports","volume":"15 1","pages":"10113"},"PeriodicalIF":3.8,"publicationDate":"2025-04-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143812416","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"综合性期刊","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Predictive model development for left atrial remodeling in hypertrophic cardiomyopathy. 肥厚性心肌病左房重构预测模型的建立。
IF 3.8 2区 综合性期刊
Scientific Reports Pub Date : 2025-04-08 DOI: 10.1038/s41598-025-97144-7
Bowen Zhang, Changying Zhao, Feiyang Wang, Chao Yang, Xiaowei Huo, Hongwei Cai, Yongjian Zhang
{"title":"Predictive model development for left atrial remodeling in hypertrophic cardiomyopathy.","authors":"Bowen Zhang, Changying Zhao, Feiyang Wang, Chao Yang, Xiaowei Huo, Hongwei Cai, Yongjian Zhang","doi":"10.1038/s41598-025-97144-7","DOIUrl":"https://doi.org/10.1038/s41598-025-97144-7","url":null,"abstract":"<p><p>Left atrial structural remodeling is closely linked with the prognosis of patients with hypertrophic cardiomyopathy (HCM). This study aimed to evaluate the clinical characteristics and risk factors associated with left atrial remodeling in HCM and to develop an early prediction model. HCM patients who underwent echocardiography during hospitalized enrolled. Patients with a left atrial diastolic anteroposterior diameter ≥ 40 mm were classified as the remodeling group, while others were assigned to the control group. Logistic regression analysis was employed to identify independent predictors, and a nomogram was constructed for prediction. A total of 1554 patients were enrolled, including 442 patients in the remodeling group. Significant differences in clinical and echocardiographic characteristics were observed between the two groups. Multivariate logistic regression analysis identified the following as independent predictors of left atrial remodeling: prothrombin time (P < 0.001; OR 0.863; 95% CI 0.813-0.915), main pulmonary artery diameter (P < 0.001; OR 0.881; 95% CI 0.852-0.911), left ventricular ejection fraction (P < 0.001; OR 1.057; 95% CI 1.043-1.071), and interventricular septal thickness (P < 0.001; OR 0.937; 95% CI 0.916-0.959). A nomogram prediction model based on these factors demonstrated good discriminatory power, with a receiver operating characteristic curve area of 0.7328 (95% CI 0.7052-0.7603). The model's calibration showed high accuracy and consistency with actual outcomes, particularly in intermediate probability ranges. Prothrombin time, main pulmonary artery diameter, left ventricular ejection fraction, and interventricular septal thickness were identified as risk factors for left atrial remodeling in HCM patients. The developed nomogram provides a valuable tool for early risk assessment, aiding in the early detection of left atrial remodeling and facilitating optimized treatment strategies to improve patient prognosis.</p>","PeriodicalId":21811,"journal":{"name":"Scientific Reports","volume":"15 1","pages":"11982"},"PeriodicalIF":3.8,"publicationDate":"2025-04-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143812271","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"综合性期刊","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Anthropogenic influence on groundwater metal toxicity and risk to human health assessment in Umaria coalfield of Madhya Pradesh, India. 印度中央邦Umaria煤田地下水金属毒性的人为影响及对人体健康的风险评价
IF 3.8 2区 综合性期刊
Scientific Reports Pub Date : 2025-04-08 DOI: 10.1038/s41598-025-88783-x
Ashwani Kumar Tiwari, Soma Giri, Mukesh Kumar Mahato, Abhay Kumar Singh
{"title":"Anthropogenic influence on groundwater metal toxicity and risk to human health assessment in Umaria coalfield of Madhya Pradesh, India.","authors":"Ashwani Kumar Tiwari, Soma Giri, Mukesh Kumar Mahato, Abhay Kumar Singh","doi":"10.1038/s41598-025-88783-x","DOIUrl":"https://doi.org/10.1038/s41598-025-88783-x","url":null,"abstract":"<p><p>Metal toxicity in groundwater surrounding coal mines is a major concern because it may pose a significant risk to human health of the local populace. The present study investigated Al, As, Ba, Cd, Co, Cr, Cu, Fe, Mn, Ni, Pb, Se, Sr, and Zn concentrations in the groundwater of Umaria coalfields during the post-monsoon season and pre-monsoon season. The study was carried out to investigate the spatial and temporal variation of the metals in the groundwater along with statistical source identification of the metals and assessment of human health risks due to intake of the metals through the groundwater. The metals of concern were Al, Fe and Mn, which exceeded the Indian drinking water quality standards in 26%, 38% and 12% of samples in the post-monsoon season and 38%, 40% and 14% of samples in the pre-monsoon season. A marked decrease in metal concentrations in the post-monsoon season was also observed, which may be attributed to the dilution effect associated with the heavy rainfall during the monsoon season. Principal component analysis used to identify contamination sources of the metals indicated geogenic attributes, coal mining activities and vehicular load as the sources of the metals in the groundwater. The human health risk assessment suggested considerable risk to the local populace using the groundwater for drinking purposes. The probable health risk, as suggested by the Hazard Index, depicted a higher risk to the child population as opposed to the adults. The Hazard Index for the child population was greater than unity in 60% and 76% of the samples in the post- and pre-monsoon seasons, respectively, suggesting a significant risk of metal exposure from groundwater intake. The study also suggested that ingestion was the primary exposure pathway and risk due to dermal exposure was trivial. The carcinogenic risk due to As and Cr were within the acceptable limits except for one location each for As and Cr. The present study suggests a potential non-carcinogenic human health risk due to groundwater intake; hence, the study area needs routine groundwater quality monitoring.</p>","PeriodicalId":21811,"journal":{"name":"Scientific Reports","volume":"15 1","pages":"12007"},"PeriodicalIF":3.8,"publicationDate":"2025-04-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143812326","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"综合性期刊","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Kaiser acoustic emission ground stress testing study on shale oil reservoir in Y block of Ordos basin, China. 鄂尔多斯盆地Y区块页岩油储层Kaiser声发射地应力测试研究
IF 3.8 2区 综合性期刊
Scientific Reports Pub Date : 2025-04-08 DOI: 10.1038/s41598-025-95565-y
Jinyuan Zhang, Junbin Chen, Junjie Lei, Jiao Xiong, Xiangrong Nie, Diguang Gong, Pengzhan Ning, Ruidong Shi
{"title":"Kaiser acoustic emission ground stress testing study on shale oil reservoir in Y block of Ordos basin, China.","authors":"Jinyuan Zhang, Junbin Chen, Junjie Lei, Jiao Xiong, Xiangrong Nie, Diguang Gong, Pengzhan Ning, Ruidong Shi","doi":"10.1038/s41598-025-95565-y","DOIUrl":"https://doi.org/10.1038/s41598-025-95565-y","url":null,"abstract":"<p><p>The determination of rock mechanics parameters and in-situ stress during the development process of \"horizontal well + volume fracturing\" for shale oil reservoirs in Block Y of the Ordos Basin can provide a basis for fracturing schemes and production pressure difference design. Rock mechanics experiments are the most direct method for determining rock mechanics parameters. This article tested the in-situ stress of the Chang 7 shale oil reservoir in Block Y of the Ordos Basin through Kaiser acoustic emission experiments, calculated the static rock mechanics parameters of the block, and found that the vertical principal stress distribution of the Chang 7 section of the block is between 49.72 ~ 61.13 MPa, the maximum horizontal principal stress distribution is between 59.04 ~ 75.4 MPa, the minimum horizontal principal stress distribution is between 46.75 ~ 56.38 MPa, the horizontal stress difference is between 10.16 ~ 21.67 MPa, and the horizontal stress difference coefficient is between 0.21 ~ 0.42. The average maximum horizontal stress gradient is 2.534 MPa/100m, the average minimum horizontal stress gradient is 1.891 MPa/100m, and the average vertical stress gradient is 2.051 MPa/100m. In addition, dynamic rock mechanics parameters can be calculated using well logging curves, and a relationship model between dynamic and static rock mechanics can be established. Through calculation, the error can be obtained within 16%, which meets practical engineering requirements and can be applied in mining practice. The core experimental data is limited, discrete, and unable to reflect the trend of rock strength changes throughout the entire well section. By using logging curve data to predict rock strength parameters, continuous formation strength profiles can be obtained, providing important basis for later layer selection, section selection, and prediction of fracture direction.</p>","PeriodicalId":21811,"journal":{"name":"Scientific Reports","volume":"15 1","pages":"12038"},"PeriodicalIF":3.8,"publicationDate":"2025-04-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143812375","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"综合性期刊","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Mechanism of astragaloside A against lung adenocarcinoma based on network pharmacology combined with molecular dynamics simulation technique. 基于网络药理学结合分子动力学模拟技术的黄芪甲苷A抗肺腺癌机制研究。
IF 3.8 2区 综合性期刊
Scientific Reports Pub Date : 2025-04-08 DOI: 10.1038/s41598-025-94793-6
Jian Ding, Qian Xue, Weizhen Guo, Gang Cheng, Lu Zhang, Tantan Huang, Di Wu, Jiabing Tong, Cheng Yang, Yating Gao, Zegeng Li
{"title":"Mechanism of astragaloside A against lung adenocarcinoma based on network pharmacology combined with molecular dynamics simulation technique.","authors":"Jian Ding, Qian Xue, Weizhen Guo, Gang Cheng, Lu Zhang, Tantan Huang, Di Wu, Jiabing Tong, Cheng Yang, Yating Gao, Zegeng Li","doi":"10.1038/s41598-025-94793-6","DOIUrl":"https://doi.org/10.1038/s41598-025-94793-6","url":null,"abstract":"<p><p>This study explores the mechanisms of Astragaloside A (AS-A), a significant active ingredient in Astragalus, This traditional Chinese medicine is both a medication and a food, combating lung adenocarcinoma using network pharmacology, molecular docking, molecular dynamics, and experimental validation. A protein-protein interaction (PPI) network was developed, identifying 10 key targets, including STAT3 and AKT1. GO and KEGG enrichment analyses indicated that these targets primarily participated in biological processes and pathways, including oxidative stress and the PI3K-Akt signalling pathway. Molecular docking and dynamic simulation evaluated AS-A's binding mode and stability with key targets. In molecular docking, 14 key targets of the HIF-1 signalling pathway had different binding energies with AS-A, such as the binding energy of PIK3R1 being -9.3. Kinetic simulations indicated the stability of the protein-ligand complex, as evidenced by RMSD values ranging from 0.2 to 0.4 nm. RMSF analysis showed that the protein residue flexibility characteristics were stable, the Rg values were stable, the number of hydrogen bonds was 10-20, and the solvent-accessible surface area was stable. Cell experiments showed that AS-A could regulate the expression of key signalling molecules such as STAT3 and AKT in lung adenocarcinoma models. This study provides insights into the mechanism of AS-A in treating lung adenocarcinoma. It proposes a new direction for anticancer research in traditional Chinese medicines, especially medications and foods.</p>","PeriodicalId":21811,"journal":{"name":"Scientific Reports","volume":"15 1","pages":"12033"},"PeriodicalIF":3.8,"publicationDate":"2025-04-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143812391","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"综合性期刊","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
0
×
引用
GB/T 7714-2015
复制
MLA
复制
APA
复制
导出至
BibTeX EndNote RefMan NoteFirst NoteExpress
×
提示
您的信息不完整,为了账户安全,请先补充。
现在去补充
×
提示
您因"违规操作"
具体请查看互助需知
我知道了
×
提示
确定
请完成安全验证×
相关产品
×
本文献相关产品
联系我们:info@booksci.cn Book学术提供免费学术资源搜索服务,方便国内外学者检索中英文文献。致力于提供最便捷和优质的服务体验。 Copyright © 2023 布克学术 All rights reserved.
京ICP备2023020795号-1
ghs 京公网安备 11010802042870号
Book学术文献互助
Book学术文献互助群
群 号:481959085
Book学术官方微信