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Impacts of particle size and surface charge of ZnO on horizontal transformation of antibiotic resistance genes 氧化锌颗粒大小和表面电荷对抗生素抗性基因水平转化的影响
IF 4.7 3区 环境科学与生态学
NanoImpact Pub Date : 2025-07-01 Epub Date: 2025-06-15 DOI: 10.1016/j.impact.2025.100571
Chenyang Zhu , Yong Han , Zhong Lu, Huaiying Yao
{"title":"Impacts of particle size and surface charge of ZnO on horizontal transformation of antibiotic resistance genes","authors":"Chenyang Zhu ,&nbsp;Yong Han ,&nbsp;Zhong Lu,&nbsp;Huaiying Yao","doi":"10.1016/j.impact.2025.100571","DOIUrl":"10.1016/j.impact.2025.100571","url":null,"abstract":"<div><div>The ever-growing antibiotic resistance in bacteria poses an enormous threat to public health and the environment. The horizontal transfer of antibiotic resistance genes (ARGs) is a major pathway for disseminating antibiotic resistance. As an inexpensive, nontoxic, and biocompatible material, ZnO with diverse sizes and surface properties have been prepared for widespread use. However, the effects and mechanisms of ZnO particles with different structural properties on the horizontal transfer of ARGs are not comprehensively understood. In this study, two groups of ZnO particles, one with the same size (93 nm) and different charge types (−9.5 and + 17.4 mV), and the other homogeneously positively charged but of different sizes (93, 215, and 2381 nm), were prepared. Their impacts on the horizontal transformation of ARGs mediated by plasmid pUC19 into <em>E coli</em> DH5α were investigated. In the positively charged group, the smallest ZnO nanoparticles at concentrations of 0.1–100 μg/mL induced 1.04–1.35 and 1.37–1.71-fold increases in transformation frequency when compared with that of the medium-sized and largest particles, respectively. In the similar-sized groups, positive ZnO promoted 1.06–1.32-fold increases than negative ZnO. Further investigation suggested that smaller and positive ZnO adsorbed more plasmids and correspondingly increased the uptake by recipient bacteria than that of larger and/or negative ZnO. In addition, the enhanced bacterial membrane permeability, ATP synthesis, and DNA replication were also accounted for the increased transformation. These results suggest that smaller-sized and positive ZnO poses a high environmental risk of spreading antibiotic resistance.</div></div>","PeriodicalId":18786,"journal":{"name":"NanoImpact","volume":"39 ","pages":"Article 100571"},"PeriodicalIF":4.7,"publicationDate":"2025-07-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144317487","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"环境科学与生态学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Fine-tuning protocols for accurate study of nanoparticle adhesion and uptake after foliar deposition 微调协议的精确研究纳米颗粒粘附和吸收后叶面沉积。
IF 4.7 3区 环境科学与生态学
NanoImpact Pub Date : 2025-07-01 Epub Date: 2025-06-11 DOI: 10.1016/j.impact.2025.100568
Mickael Wagner , Ilan Minerva , Aude Calas , Fadoua Sallem , Françoise Maubé , Camille Larue , Astrid Avellan
{"title":"Fine-tuning protocols for accurate study of nanoparticle adhesion and uptake after foliar deposition","authors":"Mickael Wagner ,&nbsp;Ilan Minerva ,&nbsp;Aude Calas ,&nbsp;Fadoua Sallem ,&nbsp;Françoise Maubé ,&nbsp;Camille Larue ,&nbsp;Astrid Avellan","doi":"10.1016/j.impact.2025.100568","DOIUrl":"10.1016/j.impact.2025.100568","url":null,"abstract":"<div><div>Understanding the interactions between plant leaves and nanoparticles (NPs) is crucial for advancing both environmental and the safety of plant protection products. Recent studies showed how the fate of NPs on leaf surfaces is influenced by NP properties, plant surface, and environmental factors. Yet, inconsistent methods for exposing leaves and measuring NPs uptake hinder reproducibility and comparability across studies.</div><div>This work investigates how exposure and rinsing protocols affect NPs dose control, distribution, and element remobilization from leaf surfaces. Four exposure approaches commonly used in the literature were tested: drop-deposition, spraying, dipping, and brushing. Sequential rinsing strategies were evaluated using diluted ethanol (EtOH), diluted nitric acid (HNO<sub>3</sub>), and ultra-pure-water (UPW). Gold (Au) and copper oxide (CuO) NPs were used, as models presenting contrasting solubilities. These protocols were assessed on tomato leaves (<em>Solanum lycopersicum</em> var. micro-tom).</div><div>Results indicate that drop-deposition yielded the most consistent NPs dosing, while others introduced variability in dose, coverage and aggregation. Regarding rinsing protocols, CuO NPs, being more soluble, were efficiently rinsed by HNO<sub>3</sub>–2 %, whereas EtOH-3 % rinsing failed to remobilize Cu, indicating strong leaf attachment of CuO NPs to the leaf surface. Conversely, Au NPs were better rinsed with ethanol-based solvents, possibly due to solvent low polarity, lowered surface tension and/or wax disruption.</div><div>These findings underline the critical impacts of exposure and rinsing methods on experimental outcomes, and how it could impair the interpretation of the fate of NPs on leaves. Tailoring rinsing solvent sequences can contribute to probe NP-leaf attachment fractions and their interaction nature. Further, this study provides an exposure and rinsing framework to better tackle specific research questions.</div></div>","PeriodicalId":18786,"journal":{"name":"NanoImpact","volume":"39 ","pages":"Article 100568"},"PeriodicalIF":4.7,"publicationDate":"2025-07-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144294121","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"环境科学与生态学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Navigating nanotoxicity: Unraveling nanomaterial-induced effects via multi-omics integration 导航纳米毒性:通过多组学整合揭示纳米材料诱导的效应
IF 4.7 3区 环境科学与生态学
NanoImpact Pub Date : 2025-04-01 Epub Date: 2025-05-16 DOI: 10.1016/j.impact.2025.100565
Zhihui Wang, Ting Zhang, Meng Tang
{"title":"Navigating nanotoxicity: Unraveling nanomaterial-induced effects via multi-omics integration","authors":"Zhihui Wang,&nbsp;Ting Zhang,&nbsp;Meng Tang","doi":"10.1016/j.impact.2025.100565","DOIUrl":"10.1016/j.impact.2025.100565","url":null,"abstract":"<div><div>The growing use of nanomaterials in industry and medicine raises significant concerns about their safety, particularly regarding their interactions with biological systems. Traditional toxicological methods, with limited throughput and mechanistic understanding, are increasingly being complemented by omics technologies. Genomics, transcriptomics, proteomics, and metabolomics provide comprehensive insights into the molecular mechanisms of nanomaterial toxicity and enable the identification of potential biomarkers. In addition, single-cell and spatial omics approaches are emerging as powerful tools to assess toxicity at the cellular and tissue levels, revealing heterogeneous responses and spatial distribution of nanomaterials. Despite their advantages, omics technologies face challenges in nanotoxicology, including large, complex data sets, integration difficulties, and a lack of standardized protocols. To address these challenges, we propose the development of new bioinformatics tools, multi-omics integration platforms, and standardized analysis processes to enhance research efficiency and accuracy. These efforts can provide a practical roadmap for integrating the application of omics technologies, including single-cell and spatial approaches, in the study of nanomaterial toxicity studies.</div></div>","PeriodicalId":18786,"journal":{"name":"NanoImpact","volume":"38 ","pages":"Article 100565"},"PeriodicalIF":4.7,"publicationDate":"2025-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144089625","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"环境科学与生态学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Comparative life cycle assessment of the fabrication of visible-light-driven photocatalytic TiO2 – Carbon dots nanocomposites for wastewater treatment 对用于废水处理的可见光驱动光催化 TiO2 - 碳点纳米复合材料的制造进行生命周期比较评估
IF 4.7 3区 环境科学与生态学
NanoImpact Pub Date : 2025-04-01 Epub Date: 2025-04-02 DOI: 10.1016/j.impact.2025.100556
Ricardo M.S. Sendão , Joaquim C.G. Esteves da Silva , Luís Pinto da Silva
{"title":"Comparative life cycle assessment of the fabrication of visible-light-driven photocatalytic TiO2 – Carbon dots nanocomposites for wastewater treatment","authors":"Ricardo M.S. Sendão ,&nbsp;Joaquim C.G. Esteves da Silva ,&nbsp;Luís Pinto da Silva","doi":"10.1016/j.impact.2025.100556","DOIUrl":"10.1016/j.impact.2025.100556","url":null,"abstract":"<div><div>TiO<sub>2</sub> nanoparticles are promising photocatalysts due to their oxidizing strength and inertness. However, their inability to efficiently absorb visible light limits industrial applications that could use sunlight. The addition of carbon dots to TiO<sub>2</sub> has been recently shown to have the potential to address this issue by enhancing the visible-light-driven photocatalytic efficiency of the resulting nanocomposites. However, concrete data on their sustainable development and fabrication is lacking. Herein, we performed a life cycle assessment (LCA) study to understand the environmental impacts of different TiO<sub>2</sub>‑carbon dots nanocomposites with enhanced visible-light-driven photocatalytic activity. It was found that the nanocomposites with the highest photocatalytic activity were the ones whose synthesis was associated with lower environmental impacts. Furthermore, the carbon dots generally have little to moderate contributions to most impact categories, except for marine eutrophication. Finally, the most critical parameter was found to be the source of TiO<sub>2</sub> for the nanocomposites.</div></div>","PeriodicalId":18786,"journal":{"name":"NanoImpact","volume":"38 ","pages":"Article 100556"},"PeriodicalIF":4.7,"publicationDate":"2025-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143776664","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"环境科学与生态学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
In silico exploration of graphene nanoflakes: From DFT simulations to machine learning-driven toxicity predictions 石墨烯纳米片的硅探索:从DFT模拟到机器学习驱动的毒性预测
IF 4.7 3区 环境科学与生态学
NanoImpact Pub Date : 2025-04-01 Epub Date: 2025-04-28 DOI: 10.1016/j.impact.2025.100563
Nuria Aguilar , Patricia de la Fuente , Natalia Fernández-Pampín , Sonia Martel , Laura Gómez-Cuadrado , Pedro Angel Marcos , Alfredo Bol , Carlos Rumbo , Santiago Aparicio
{"title":"In silico exploration of graphene nanoflakes: From DFT simulations to machine learning-driven toxicity predictions","authors":"Nuria Aguilar ,&nbsp;Patricia de la Fuente ,&nbsp;Natalia Fernández-Pampín ,&nbsp;Sonia Martel ,&nbsp;Laura Gómez-Cuadrado ,&nbsp;Pedro Angel Marcos ,&nbsp;Alfredo Bol ,&nbsp;Carlos Rumbo ,&nbsp;Santiago Aparicio","doi":"10.1016/j.impact.2025.100563","DOIUrl":"10.1016/j.impact.2025.100563","url":null,"abstract":"<div><div>The present theoretical work provides a ground-breaking and comprehensive study of graphene nanoflakes integrating Density Functional Theory (DFT) simulations, toxicity predictions and a machine learning approach. The properties of graphene nanoflakes as a function of size, shape, and symmetry are systematically analysed using DFT calculations. The interaction of these nanoflakes with human proteins and cell membranes, considered as Molecular Initiating Events for diverse Adverse Outcome Pathways, is explored to infer potential toxicity effects. Leveraging the generated data, machine learning models were developed to predict flake properties and biological interactions. A single score representing the biological interaction or impact of graphene nanoflakes on both proteins and plasma membranes is assigned to each evaluated nanoflake to infer its potential toxicity. Our multiscale approach bring valuable insights into the structure-property-toxicity relationships of graphene nanoflakes, paving the way for their safe and efficient design and application.</div></div>","PeriodicalId":18786,"journal":{"name":"NanoImpact","volume":"38 ","pages":"Article 100563"},"PeriodicalIF":4.7,"publicationDate":"2025-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143895547","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"环境科学与生态学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Vertical distribution of microplastics in soil affects plant response to microplastics. 土壤中微塑料的垂直分布会影响植物对微塑料的反应。
IF 4.7 3区 环境科学与生态学
NanoImpact Pub Date : 2025-04-01 Epub Date: 2025-04-08 DOI: 10.1016/j.impact.2025.100557
Merve Tunali , Matthias C. Rillig
{"title":"Vertical distribution of microplastics in soil affects plant response to microplastics.","authors":"Merve Tunali ,&nbsp;Matthias C. Rillig","doi":"10.1016/j.impact.2025.100557","DOIUrl":"10.1016/j.impact.2025.100557","url":null,"abstract":"<div><div>The impacts of microplastics on plants have been extensively researched, yielding a variety of responses: promoting growth, limiting growth, or causing no change in plants. Experimental studies, following basic principles of ecotoxicology, typically use a homogeneous distribution of microplastics in soils, where soil and microplastic are well-mixed. However, in the environment, plastic is not homogeneously distributed. Therefore, we tested whether the distribution of microplastics in soils affects the impact observed on plants. For this purpose, we tested the effect of homogeneously distributed microplastics and heterogeneously distributed microplastics (at different levels) on the growth of spring onions. In addition, the presence of drought was also included in our greenhouse experiment. The results show that the distribution of microplastics (whether it is homogeneous or heterogeneous) affects the growth of spring onions differently, especially the shoot and root mass. First, differences of 21–22 % in shoot mass and 29–38 % in root mass were observed between heterogeneously distributed treatments and the homogeneous treatment. Second, under drought conditions, the effects -particularly on shoot mass and the C:N (carbon:nitrogen) ratio- may differ compared to non-drought. Differences of 30–37 % in shoot mass, and up to 16 % in the carbon/nitrogen ratio were observed between different heterogeneously distributed treatments and the homogeneous treatment in the drought case. In addition, shoot mass and the C:N ratio varied depending on drought conditions. Our results strongly suggest that future experiments on microplastic effects in soil should consider at least vertically heterogeneity of the pollutant to arrive at more realistic effect estimates.</div></div>","PeriodicalId":18786,"journal":{"name":"NanoImpact","volume":"38 ","pages":"Article 100557"},"PeriodicalIF":4.7,"publicationDate":"2025-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143816433","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"环境科学与生态学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
A model for screening the fate and behaviour of the engineered nanoparticles in aquatic systems using semi-quantitative analysis and rule-based system 利用半定量分析和基于规则的系统筛选工程纳米颗粒在水生系统中的命运和行为的模型。
IF 4.7 3区 环境科学与生态学
NanoImpact Pub Date : 2025-04-01 Epub Date: 2025-05-08 DOI: 10.1016/j.impact.2025.100564
Ntsikelelo Yalezo, Michael O. Daramola
{"title":"A model for screening the fate and behaviour of the engineered nanoparticles in aquatic systems using semi-quantitative analysis and rule-based system","authors":"Ntsikelelo Yalezo,&nbsp;Michael O. Daramola","doi":"10.1016/j.impact.2025.100564","DOIUrl":"10.1016/j.impact.2025.100564","url":null,"abstract":"<div><div>Concerns over the possible adverse effects of engineered nanoparticles (ENPs) on aquatic organisms have grown due to their continuous emission into aquatic systems. Consequently, to safeguard these aquatic life forms and support the sustainable use of ENPs, the characterisation of their exposure is necessary. Currently, despite the great amount of work reported to elucidate the exposure and risks of ENPs, cost-effective and easy-to-use exposure characterisation models are lacking and scarce. This study describes the use of semi-quantitative analysis (SQA) integrated with a rule-based system to evaluate ENP exposure in aquatic systems. The performance of the model was illustrated using case studies of nZnO, nTiO<sub>2</sub>, and nAg and theoretical examples that simulate natural systems. The results demonstrate that our proposed model can be highly valuable as an alternative approach for the preliminary screening of the exposure and possible environmental impact of ENPs in aquatic systems. The SQA application is relatively cost-effective and easy to use, since no software or mathematical computations are required. In addition, non-experts can easily understand the hierarchical nature, Boolean logic, and visual representations of simple rules using decision trees; which is highly valuable given that testing each variation of ENPs is tedious and associated with high cost.</div></div>","PeriodicalId":18786,"journal":{"name":"NanoImpact","volume":"38 ","pages":"Article 100564"},"PeriodicalIF":4.7,"publicationDate":"2025-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144031896","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"环境科学与生态学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Evaluation of inflammatory and mesothelioma-related responses in mice following the intraperitoneal administration of cellulose nanofibers 腹腔注射纤维素纳米纤维对小鼠炎症和间皮瘤相关反应的评价。
IF 4.7 3区 环境科学与生态学
NanoImpact Pub Date : 2025-04-01 Epub Date: 2025-05-10 DOI: 10.1016/j.impact.2025.100561
Masanori Horie , Sakiko Sugino , Katsuhide Fujita , Shigehisa Endoh , Junko Maru , Tomohiko Matsuzawa , Isamu Ogura
{"title":"Evaluation of inflammatory and mesothelioma-related responses in mice following the intraperitoneal administration of cellulose nanofibers","authors":"Masanori Horie ,&nbsp;Sakiko Sugino ,&nbsp;Katsuhide Fujita ,&nbsp;Shigehisa Endoh ,&nbsp;Junko Maru ,&nbsp;Tomohiko Matsuzawa ,&nbsp;Isamu Ogura","doi":"10.1016/j.impact.2025.100561","DOIUrl":"10.1016/j.impact.2025.100561","url":null,"abstract":"<div><div>Mesothelioma can develop from long-term exposure to fine fibrous materials including asbestos and carbon nanotubes, and chronic inflammation is critical for its development. Inflammatory responses and key related markers associated with the development of mesothelioma were evaluated over time in relation to cellulose nanofibers (CNFs), which are being developed as new plant-derived materials, for the purpose of risk management Three types of CNFs, mechanically fibrillated CNFs, TEMPO-oxidized CNFs, and phosphorylated CNFs, were administered intraperitoneally to mice at doses of 0.1 and 1.0 mg per animal, and progress was observed for up to 2 years. In the group receiving mechanically fibrillated CNFs, white substances were observed adhering to the liver surface throughout the observation period. This white substance was presumed to be cellulose. Some CNFs have been shown to persist in the body. During this period, inflammation markers and mesothelioma-related markers were evaluated at 1, 2, and 6 months, and 1, and 2 years after administration. No significant symptoms were observed in animals administered one of the three types of CNFs intraperitoneally during the observation period. Inflammatory markers in the peritoneal lavage fluid remained below the detection limit throughout the entire observation period. Additionally, no significant increase in blood levels of mesothelioma or the major related markers mesothelin, osteopontin, or HMGB1 was observed. In this study, although some CNFs remained in the body, no inflammatory response was observed <em>in vivo</em> under the concentration conditions and observation periods used. Furthermore, no evidence of long-term effects, such as cancer, was found.</div></div>","PeriodicalId":18786,"journal":{"name":"NanoImpact","volume":"38 ","pages":"Article 100561"},"PeriodicalIF":4.7,"publicationDate":"2025-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144018646","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"环境科学与生态学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
A meta-analysis of nanomaterial and nanoplastic fate in small column experiments and implications for fate in soils 小柱实验中纳米材料和纳米塑性命运的荟萃分析及其对土壤命运的影响
IF 4.7 3区 环境科学与生态学
NanoImpact Pub Date : 2025-04-01 Epub Date: 2025-04-17 DOI: 10.1016/j.impact.2025.100558
Geert Cornelis
{"title":"A meta-analysis of nanomaterial and nanoplastic fate in small column experiments and implications for fate in soils","authors":"Geert Cornelis","doi":"10.1016/j.impact.2025.100558","DOIUrl":"10.1016/j.impact.2025.100558","url":null,"abstract":"<div><div>A long list of possible processes may simultaneously control retention of engineered nanomaterials (NMs) and nanoplastics (NPs) in soils, but there is little insight in which of these processes dominates and under which circumstances. Though not easily transferable to field situations, repacked saturated column tests compose the richest available dataset to explore for overall trends in the behaviour of NMs and NPs in soils. Global attachment efficiencies (<em>α</em><sub>global</sub>) were calculated uniformly from metadata of 624 column experiments and correlated against metadata using partial least squares and linear regression analysis. <em>α</em><sub>global</sub> values appeared to some extent operationally defined as they correlate with the experimental column flow rate and in some cases with the particle concentration used in the feedstock. Particle aggregation occurred more as the feedstock concentration increased, but this only had a limited effect on subsequent column retention. In homogeneous sandy media, attachment of particles obeyed well-known trends indicative of non-favourable electrostatic interactions, whereas interactions in non-sandy media were dominated by favourable attractions to positively charged sites on clay edges and/or oxides as well as hydrophobic interactions with soil organic matter. The results may help to prioritize further research such as the currently unclear role of hydrophobic interactions in the fate of particles in porous media and identify the most important transport processes in more complex field situations.</div></div>","PeriodicalId":18786,"journal":{"name":"NanoImpact","volume":"38 ","pages":"Article 100558"},"PeriodicalIF":4.7,"publicationDate":"2025-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143874266","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"环境科学与生态学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
From literature to predictive modeling: Insights and machine learning applications from in vitro comet assays related to the genotoxicity of titanium dioxide nanomaterials 从文献到预测建模:与二氧化钛纳米材料遗传毒性相关的体外彗星分析的见解和机器学习应用
IF 4.7 3区 环境科学与生态学
NanoImpact Pub Date : 2025-04-01 Epub Date: 2025-04-22 DOI: 10.1016/j.impact.2025.100562
Irini Furxhi , Mahsa Mirzaei , Anna Costa , Rossella Bengalli
{"title":"From literature to predictive modeling: Insights and machine learning applications from in vitro comet assays related to the genotoxicity of titanium dioxide nanomaterials","authors":"Irini Furxhi ,&nbsp;Mahsa Mirzaei ,&nbsp;Anna Costa ,&nbsp;Rossella Bengalli","doi":"10.1016/j.impact.2025.100562","DOIUrl":"10.1016/j.impact.2025.100562","url":null,"abstract":"<div><div>The genotoxicity of titanium dioxide nanomaterials (TiO<sub>2</sub> NMs) remains a debated topic in the scientific community. In this study, we applied the read-across concept based on machine learning (ML) algorithms to predict the genotoxic potential of TiO₂ NMs. Key objectives included: (i) compiling a systematic dataset capturing DNA damage percentage from in vitro comet assays, (ii) creating a homogenized dataset integrating physicochemical properties, exposure conditions, and experimental details, (iii) training ML models for prediction, (iv) evaluating model performance, and (v) identifying the features that contribute the most to predictive accuracy. The dataset was divided into three parts: the Entire dataset (all features), the Physicochemical dataset, and the Experimental design dataset. Extra Trees Regressor and XGB Regressor demonstrated high predictive accuracy, achieving R<sup>2</sup> values of 0.906 and 0.788 for the P-chem and Experimental dataset, respectively. Exposure concentration, cold lysis conditions, and electrophoresis parameters emerged as key predictors of DNA damage, alongside contributions from NM properties. These findings highlight the intricate interplay between NM properties and experimental conditions in genotoxicity assessments. By providing a FAIR dataset, this study facilitates future research, allowing for the integration of additional variables and quality criteria to enhance the modeling approach. This work reinforces the value of nano-informatics in nanosafety and serves as a footing for advancing data-driven hazard assessment methodologies, positioning ML-enabled read-across strategies as a valuable tool for regulatory nanosafety framework.</div></div>","PeriodicalId":18786,"journal":{"name":"NanoImpact","volume":"38 ","pages":"Article 100562"},"PeriodicalIF":4.7,"publicationDate":"2025-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143899385","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"环境科学与生态学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
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