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1.
Chem Res Toxicol ; 2024 Sep 09.
Artículo en Inglés | MEDLINE | ID: mdl-39250695

RESUMEN

Proper risk assessment of the many new nanoforms (NFs) that are currently being developed and marketed is hindered by constraints in time and resources for testing their fate and (eco) toxicity profile. This problem has also been encountered in conventional chemical risk assessments, where the definition of related chemical groups can facilitate risk assessment for all class members. Whereas grouping and read-across methods are well established, such approaches are in the early stages of development for NFs. In this study, a modeling framework was developed for grouping NFs into distinct classes regarding the contribution of released ions to suspension-induced toxicity. The framework is based on combining dissolution rate constants of NFs with information about the toxicokinetics of the NFs and the dissolution products formed. The framework is exemplified for the specific case of suspension toxicity of metallic NFs (silver and copper). To this end, principles of mixture toxicity and dose-response modeling are integrated to derive threshold values for the key NF properties determining suspension toxicity: size, shape, and chemical composition. The threshold values thus derived offer a possible solution for the high-throughput screening of NFs according to their morphological and compositional properties in a regulatory context.

2.
Aquat Toxicol ; 275: 107074, 2024 Oct.
Artículo en Inglés | MEDLINE | ID: mdl-39241466

RESUMEN

Evidence grows that standard toxicity testing might underestimate the environmental risk of neurotoxic insecticides. Behavioural endpoints such as locomotion and mobility have been suggested as sensitive and ecologically relevant additions to the standard tested endpoints. Possible interactive effects of chemicals and additional stressors are typically overlooked in standardised testing. Therefore, we aimed to investigate how concurrent exposure to environmental stressors (increased temperature and predation cues) and a nicotinic acetylcholine receptor (nAChR)-modulating insecticide ('sulfoxaflor') impact Chironomus riparius across a range of conventional and non-conventional endpoints. We used a multifactorial experimental design encompassing three stressors, sulfoxaflor (2.0-110 µg/L), predation risk (presence/absence of predatory cues), and elevated temperature (20 °C and 23 °C), yielding a total of 24 distinct treatment conditions. Additional stressors did not change the sensitivity of C. riparius to sulfoxaflor. To assess potential additive effects, we applied an Independent Action (IA) model to predict the impact on eight endpoints, including conventional endpoints (growth, survival, total emergence, and emergence time) and less conventional endpoints (the size of the adults, swimming abilities and exploration behaviour). For the conventional endpoints, observed effects were either lower than expected or well-predicted by the IA model. In contrast, we found greater than predicted effects of predation cues and temperature in combination with sulfoxaflor on adult size, larval exploration, and swimming behaviour. However, in contrast to the non-conventional endpoints, no conventional endpoints detected interactive effects of the neurotoxic insecticide and the environmental stressors. Acknowledging these interactions, increasing ecological context of ecotoxicological test systems may, therefore, advance environmental risk analysis and interpretation as the safe environmental concentrations of neurotoxic insecticides depend on the context of both the test organism and its environment.


Asunto(s)
Chironomidae , Insecticidas , Piridinas , Compuestos de Azufre , Contaminantes Químicos del Agua , Chironomidae/efectos de los fármacos , Animales , Contaminantes Químicos del Agua/toxicidad , Piridinas/toxicidad , Compuestos de Azufre/toxicidad , Insecticidas/toxicidad , Pruebas de Toxicidad , Larva/efectos de los fármacos , Temperatura
3.
Environ Sci Technol ; 2024 Aug 07.
Artículo en Inglés | MEDLINE | ID: mdl-39109992

RESUMEN

The massive production and application of nanomaterials (NMs) have raised concerns about the potential adverse effects of NMs on human health and the environment. Evaluating the adverse effects of NMs by laboratory methods is expensive, time-consuming, and often fails to keep pace with the invention of new materials. Therefore, in silico methods that utilize machine learning techniques to predict the toxicity potentials of NMs are a promising alternative approach if regulatory confidence in them can be enhanced. Previous reviews and regulatory OECD guidance documents have discussed in detail how to build an in silico predictive model for NMs. Nevertheless, there is still room for improvement in addressing the ways to enhance the model representativeness and performance from different angles, such as data set curation, descriptor selection, task type (classification/regression), algorithm choice, and model evaluation (internal and external validation, applicability domain, and mechanistic interpretation, which is key to ensuring stakeholder confidence). This review explores how to build better predictive models; the current state of the art is analyzed via a statistical evaluation of literature, while the challenges faced and future perspectives are summarized. Moreover, a recommended workflow and best practices are provided to help in developing more predictive, reliable, and interpretable models that can assist risk assessment as well as safe-by-design development of NMs.

4.
Int J Cardiol ; 414: 132412, 2024 Nov 01.
Artículo en Inglés | MEDLINE | ID: mdl-39089480

RESUMEN

BACKGROUND: Treatment of isolated and non-obstructive atherosclerotic coronary artery ectasia (CAE) is still controversial. AIM: To assess the efficacy and safety of vitamin-K antagonist (VKA) versus dual antiplatelet (DAPT) therapy in management of patients with isolated and non-obstructive atherosclerotic CAE. METHODS: We prospectively enrolled 79 patients diagnosed on elective coronary angiography to have either isolated CAE or non-obstructive atherosclerotic CAE. Patients were assigned in 1:1 pattern to receive either VKA (warfarin) or DAPT (aspirin plus clopidogrel). Patients were followed-up for nine-months. The primary endpoint was the cumulative events rate including acute coronary event, target vessel intervention, or cardiac death. Analysis of cumulative events at different time intervals, its individual components, and bleeding were considered secondary endpoints. RESULTS: Cumulative events rate was 33%, with mortality rate of 2.5%. Both treatment groups showed comparable cumulative events during the nine-months follow-up duration. Nevertheless, Kaplan-Meier analysis beyond the first 3-months of follow-up showed significantly higher event-free survival among the VKA-group. Recurrent events (≥2) were significantly higher among the DAPT-group. Both groups showed no major bleeding events. Multivariable cox-regression analysis showed that presence of significant coronary tortuosity, use of DAPT in reference to VKA, and lower percent time in therapeutic range (%TTR) among those receiving VKA were significant independent predictors of clinical adverse events beyond the first 3-months of follow-up. CONCLUSION: Cumulative adverse events were comparable among both treatment groups for isolated non-obstructive CAE. However, adverse events were significantly more frequent in the DAPT-group beyond the first three months.


Asunto(s)
Enfermedad de la Arteria Coronaria , Terapia Antiplaquetaria Doble , Inhibidores de Agregación Plaquetaria , Vitamina K , Humanos , Masculino , Femenino , Persona de Mediana Edad , Estudios Prospectivos , Anciano , Inhibidores de Agregación Plaquetaria/uso terapéutico , Inhibidores de Agregación Plaquetaria/administración & dosificación , Vitamina K/antagonistas & inhibidores , Enfermedad de la Arteria Coronaria/tratamiento farmacológico , Estudios de Seguimiento , Terapia Antiplaquetaria Doble/métodos , Resultado del Tratamiento , Angiografía Coronaria , Dilatación Patológica , Aspirina/uso terapéutico , Aspirina/administración & dosificación , Clopidogrel/uso terapéutico , Clopidogrel/administración & dosificación , Anticoagulantes/uso terapéutico , Anticoagulantes/administración & dosificación , Manejo de la Enfermedad , Warfarina/uso terapéutico , Warfarina/administración & dosificación , Warfarina/efectos adversos
6.
Environ Int ; 188: 108764, 2024 Jun.
Artículo en Inglés | MEDLINE | ID: mdl-38788418

RESUMEN

A strong need exists for broadly applicable nano-QSARs, capable of predicting toxicological outcomes towards untested species and nanomaterials, under different environmental conditions. Existing nano-QSARs are generally limited to only a few species but the inclusion of species characteristics into models can aid in making them applicable to multiple species, even when toxicity data is not available for biological species. Species traits were used to create classification- and regression machine learning models to predict acute toxicity towards aquatic species for metallic nanomaterials. Afterwards, the individual classification- and regression models were stacked into a meta-model to improve performance. Additionally, the uncertainty and limitations of the models were assessed in detail (beyond the OECD principles) and it was investigated whether models would benefit from the addition of more data. Results showed a significant improvement in model performance following model stacking. Investigation of model uncertainties and limitations highlighted the discrepancy between the applicability domain and accuracy of predictions. Data points outside of the assessed chemical space did not have higher likelihoods of generating inadequate predictions or vice versa. It is therefore concluded that the applicability domain does not give complete insight into the uncertainty of predictions and instead the generation of prediction intervals can help in this regard. Furthermore, results indicated that an increase of the dataset size did not improve model performance. This implies that larger dataset sizes may not necessarily improve model performance while in turn also meaning that large datasets are not necessarily required for prediction of acute toxicity with nano-QSARs.


Asunto(s)
Relación Estructura-Actividad Cuantitativa , Incertidumbre , Nanoestructuras/toxicidad , Animales , Aprendizaje Automático , Organismos Acuáticos/efectos de los fármacos
7.
Environ Int ; 188: 108723, 2024 Jun.
Artículo en Inglés | MEDLINE | ID: mdl-38744045

RESUMEN

Nanoplastics can cause severe malformations in chicken embryos. To improve our understanding of the toxicity of nanoplastics to embryos, we have studied their biodistribution in living chicken embryos. We injected the embryos in the vitelline vein at stages 18-19. We injected polystyrene nanoparticles (PS-NPs) tagged with europium- or fluorescence. Their biodistribution was tracked using inductively-coupled plasma mass spectrometry on tissue lysates, paraffin histology, and vibratome sections analysed by machine learning algorithms. PS-NPs were found at high levels in the heart, liver and kidneys. Furthermore, PS-NPs crossed the endocardium of the heart at sites of epithelial-mesenchymal transformation; they also crossed the liver endothelium. Finally, we detected PS-NPs in the allantoic fluid, consistent with their being excreted by the kidneys. Our study shows the power of the chicken embryo model for analysing the biodistribution of nanoplastics in embryos. Such experiments are difficult or impossible in mammalian embryos. These findings are a major advance in our understanding of the biodistribution and tissue-specific accumulation of PS-NPs in developing animals.


Asunto(s)
Nanopartículas , Poliestirenos , Animales , Poliestirenos/farmacocinética , Embrión de Pollo , Distribución Tisular , Riñón/metabolismo , Hígado/metabolismo , Espectrometría de Masas
8.
Sci Total Environ ; 935: 173265, 2024 Jul 20.
Artículo en Inglés | MEDLINE | ID: mdl-38754499

RESUMEN

Agricultural lands have been identified as plastic sinks. One source is plastic mulches, which are a source of micro- and nano-sized plastics in agricultural soils. Because of their persistence, there is now a push towards developing biodegradable plastics, which are designed to undergo (partial) breakdown after entering the environment. Yet, limited research has investigated the impacts of both conventional and biodegradable plastics on distinct plants. Moreover, comparisons among studies are difficult due to differences in experimental design. This study directly compares the effects of artificially weathered conventional polyethylene (PE) and starch-based biodegradable polybutylene adipate terephthalate (PBAT) on four food crops, including two monocots (barley, Hordeum vulgare, and wheat, Triticum aestivum L.) and two dicots (carrot, Daucus carota, and lettuce, Lactuca sativa L.). We investigated the effects of environmentally relevant low, medium, and high (0.01 %, 0.1 %, 1 % w/w) concentrations of PE and starch-PBAT blend on seed germination (acute toxicity), and subsequently on plant growth and chlorophyll through a pot-plant experiment (chronic toxicity). Germination of all species was not affected by both plastics. However, root length was reduced for lettuce and wheat seedlings. No other effects were recorded on monocots. We observed a reduction in shoot length and bud wet weight of carrot seedlings for the highest concentration of PE and starch-PBAT blend. Chronic exposure resulted in a significant decrease in shoot biomass of barley and lettuce. Additionally, a positive increase in the number of leaves of lettuce was observed for both plastics. Chlorophyll content was increased in lettuce when exposed to PE and starch-PBAT blend. Overall, adverse effects in dicots were more abundant than in monocots. Importantly, we found that the biodegradable plastic caused more commonly adverse effects on plants compared to conventional plastic, which was confirmed by a mini-review of studies directly comparing the impact of conventional and biodegradable microplastics.


Asunto(s)
Plásticos Biodegradables , Microplásticos , Contaminantes del Suelo , Microplásticos/toxicidad , Contaminantes del Suelo/toxicidad , Plásticos/toxicidad , Germinación/efectos de los fármacos , Biodegradación Ambiental , Hordeum/efectos de los fármacos , Triticum/efectos de los fármacos
9.
Ecotoxicol Environ Saf ; 272: 116035, 2024 Mar 01.
Artículo en Inglés | MEDLINE | ID: mdl-38309234

RESUMEN

A suspension of copper oxide nanoparticles (CuO NPs) is a mixture of dissolved and particulate Cu, the relative proportions of which highly depend on the water chemistry. However, the relationship between different proportions of particulate and dissolved Cu and the overall toxicity of CuO NPs is still unknown. This study investigated the response of Chlorella vulgaris to CuO NPs at varying solution pH and at different tannic acid (TA) additions, with a focus on exploring whether and how dissolved and particulate Cu contribute to the overall toxicity of CuO NPs. The results of the exposure experiments demonstrated the involvement of both dissolved and particulate Cu in inducing toxicity of CuO NPs, and the inhibition of CuO NPs on cell density of Chlorella vulgaris was found to be significantly (p < 0.05) alleviated with increased levels of TA and pH (< 8). Using the independent action model, the contribution to toxicity of particulate Cu was found to be enhanced with increasing pH values and TA concentrations. The toxic unit indicator better (R2 = 0.86, p < 0.001) explained impacts of CuO NPs on micro-algae cells than commonly used mass concentrations (R2 = 0.27-0.77, p < 0.05) across different levels of pH and TA. Overall, our study provides an additivity-based method to improve the accuracy of toxicity prediction through including contributions to toxicity of both dissolved and particulate Cu and through eliminating the uneven distribution of data due to large variations in total Cu, particulate Cu, dissolved Cu, Cu2+ activities, Cu-TA complexes and other Cu-complexes concentrations with varying water chemistry conditions.


Asunto(s)
Chlorella vulgaris , Nanopartículas del Metal , Nanopartículas , Polifenoles , Cobre/toxicidad , Cobre/química , Nanopartículas del Metal/toxicidad , Nanopartículas del Metal/química , Agua , Concentración de Iones de Hidrógeno
10.
Nanotoxicology ; 18(2): 107-118, 2024 Mar.
Artículo en Inglés | MEDLINE | ID: mdl-38420713

RESUMEN

To date, research on the toxicity and potential environmental impacts of nanomaterials has predominantly focused on relatively simple and single-component materials, whilst more complex nanomaterials are currently entering commercial stages. The current study aimed to assess the long-term and size-dependent (60 and 500 nm) toxicity of a novel core-shell nanostructure consisting of a SiC core and TiO2 shell (SiC/TiO2, 5, 25, and 50 mg L-1) to the common model organism Daphnia magna. These novel core-shell nanostructures can be categorized as advanced materials. Experiments were conducted under environmentally realistic feeding rations and in the presence of a range of concentrations of humic acid (0.5, 2, 5, and 10 mg L-1 TOC). The findings show that although effect concentrations of SiC/TiO2 were several orders of magnitude lower than the current reported environmental concentrations of more abundantly used nanomaterials, humic acid can exacerbate the toxicity of SiC/TiO2 by reducing aggregation and sedimentation rates. The EC50 values (mean ± standard error) based on nominal SiC/TiO2 concentrations for the 60 nm particles were 28.0 ± 11.5 mg L-1 (TOC 0.5 mg L-1), 21.1 ± 3.7 mg L-1 (TOC 2 mg L-1), 18.3 ± 5.4 mg L-1 (TOC 5 mg L-1), and 17.8 ± 2.4 mg L-1 (TOC 10 mg L-1). For the 500 nm particles, the EC50 values were 34.9 ± 16.5 mg L-1 (TOC 0.5 mg L-1), 24.8 ± 5.6 mg L-1 (TOC 2 mg L-1), 28.0 ± 10.0 mg L-1 (TOC 5 mg L-1), and 23.2 ± 4.1 mg L-1 (TOC 10 mg L-1). We argue that fate-driven phenomena are often neglected in effect assessments, whilst environmental factors such as the presence of humic acid may significantly influence the toxicity of nanomaterials.


Asunto(s)
Compuestos Inorgánicos de Carbono , Daphnia magna , Sustancias Húmicas , Titanio , Animales , Compuestos Inorgánicos de Carbono/toxicidad , Daphnia magna/efectos de los fármacos , Sustancias Húmicas/análisis , Nanopartículas/toxicidad , Tamaño de la Partícula , Compuestos de Silicona/toxicidad , Titanio/toxicidad , Contaminantes Químicos del Agua/toxicidad
11.
Environ Sci Pollut Res Int ; 31(15): 22885-22899, 2024 Mar.
Artículo en Inglés | MEDLINE | ID: mdl-38418784

RESUMEN

The aim of this study is twofold: i) to determine innovative yet sensitive endpoints for sulfoxaflor and ii) to develop best practices for innovative teaching in ecotoxicology. To this end, a group of 52 MSc students participated in an environmental hackathon, during which they did creative toxicity testing on 5 freshwater invertebrate species: Daphnia magna, Chironomus riparius, Asellus aquaticus, Lymnaea stagnalis, and Anisus vortex. Involving the students in an active learning environment stimulated increased creativity and productivity. In total, 28 endpoints were investigated, including standard endpoints (e.g., mortality) as well as biomechanistic and energy-related endpoints. Despite high variances in the results, likely linked to the limited lab experience of the students and interpersonal differences, a promising set of endpoints was selected for further investigation. A more targeted follow-up experiment focused on the most promising organism and set of endpoints: biomechanistic endpoints of C. riparius larvae. Larvae were exposed to a range of sulfoxaflor concentrations (0.90-67.2 µg/L) for 21 days. Video tracking showed that undulation and swimming were significantly reduced at 11.1 µg sulfoxaflor/L after 9 days of exposure, and an EC50 = 10.6 µg/L for mean velocities of the larvae in the water phase was found. Biomechanistic endpoints proved much more sensitive than mortality, for which an LC50 value of 116 µg/L was found on Day 9. Our results show that performing a hackathon with students has excellent potential to find sensitive endpoints that can subsequently be verified using more targeted and professional follow-up experiments. Furthermore, utilising hackathon events in teaching can increase students' enthusiasm about ecotoxicology, driving better learning experiences.


Asunto(s)
Neurotoxinas , Compuestos de Azufre , Contaminantes Químicos del Agua , Humanos , Animales , Invertebrados , Piridinas , Larva , Contaminantes Químicos del Agua/toxicidad , Contaminantes Químicos del Agua/análisis , Daphnia
13.
Heliyon ; 9(12): e23178, 2023 Dec.
Artículo en Inglés | MEDLINE | ID: mdl-38149197

RESUMEN

Advanced materials comprising multiple metal alloys have made their way into the market. Trimetal-based nanomaterials (TNMs) are an example of advanced materials which have gained significant traction and are now employed in a wide array of products. It is essential to raise the question if the toxicity of advanced nanomaterials like TNMs differs from the joint effects as manifested by exposure to the single component nanoparticles (NPs). To answer this question, a trimetal-based nanomaterial: bismuth cobalt zinc oxide (BiCoZnO) was tested. This TNM had a mass ratio of 90 % ZnO NPs, 7 % Bi2O3 NPs and 3 % Co3O4 NPs. Nanoparticle-exposed lettuce seedlings (Lactuca sativa L.) showed decreases in relative root elongation (RRE) and biomass production after 21 days of exposure. The 50 % of maximal effective concentration (EC50) value of the TNMs for biomass production was 1.2 mg L-1 when the exposure period was 240 h. This is of the same magnitude as the EC50 values found for ZnO NPs (EC50 = 1.5 mg L-1) and for the mixture of components NPs (MCNPs) which jointly form the TNMs (EC50 = 3.7 mg L-1) after 10 d of exposure. The inhibition of plant root elongation by the TNMs was partially (65 %) attributed to the release of Zn ions, with the actual concentration of released Zn ions being lower in TNMs compared to the actual concentration of Zn ions in case of ZnO NPs. It is therefore to be concluded that the concentration of Zn ions cannot be used as a direct measure to compare the toxicity between traditional and advanced Zn-related nanomaterials. The EC50 values could be assessed within a factor of two; which is helpful when developing advanced alloy nanomaterials and assessing prospective the effects of trimetal-based nanomaterials.

14.
J Pediatr Surg ; 58(11): 2244-2248, 2023 Nov.
Artículo en Inglés | MEDLINE | ID: mdl-37400309

RESUMEN

INTRO: Pain management for minimally invasive (Nuss) repair of pectus excavatum (PE) is challenging, particularly as the judicious use of opioids has become a patient safety priority. Multi-modal pain management protocols are increasingly used, but there is limited experience using transdermal lidocaine patches (TLP) in this patient population. METHODS: Pediatric anesthesiologists and surgeons in a children's hospital within a hospital designed a multi-modal perioperative pain management protocol for patients undergoing Nuss repair of PE (IRB00068901). The protocol included use of TLP in addition to other adjuncts such as methadone, gabapentin, and NSAIDS. Following initiation of the protocol charts were reviewed retrospectively, comparing outcomes before and after implementation of the protocol. RESULTS: Forty-nine patients underwent a Nuss procedure between 2013 and 2022, 15 prior to initiation of the protocol and 34 after. Patient demographics and operative length were similar between the two groups. Average length of stay decreased from 4.7 to 3.3 days and reported opioid use at the time of the first outpatient post-op visit dropped from 60% to 24% (p < 0.05). Morphine milligram equivalents (MME) usage was decreased following implementation during hospital admission, at discharge, and at first post-operative visit (464 vs. 169, 1288 vs. 218, and 214 vs. 56, respectfully, p < 0.05). There were no ED visits or readmissions <30 days related to post-operative pain. CONCLUSION: Post-operative opioid usage and hospital length of stay were decreased after initiation of the protocol. Transdermal lidocaine patches may be a helpful adjunct to minimize narcotic requirements after repair of pectus excavatum. LEVEL OF EVIDENCE: Level II.

15.
Environ Pollut ; 335: 122243, 2023 Oct 15.
Artículo en Inglés | MEDLINE | ID: mdl-37482341

RESUMEN

Only recently there has been a strong focus on the impacts of microplastics on terrestrial crop plants. This study aims to examine and compare the effects of microplastics on two monocotyledonous (barley, Hordeum vulgare and wheat, Triticum aestivum), and two dicotyledonous (carrot, Daucus carota and lettuce, Lactuca sativa) plant species through two complimentary experiments. First, we investigated the effects of low, medium, and high (103, 105, 107 particles per mL) concentrations of 500 nm polystyrene microplastics (PS-MPs) on seed germination and early development. We found species-dependent effects on the early development, with microplastics only significantly affecting lettuce and carrot. When acutely exposed during germination, PS-MPs significantly delayed the germination of lettuce by 24%, as well as promoted the shoot growth of carrot by 71% and decreased its biomass by 26%. No effect was recorded on monocot species. Secondly, we performed a chronic (21 d) hydroponic experiment on lettuce and wheat. We observed that PS-MPs significantly reduced the shoot growth of lettuce by up to 35% and increased its biomass by up to 64%, while no record was reported on wheat. In addition, stress level indicators and defence mechanisms were significantly up-regulated in both lettuce and wheat seedlings. Overall, this study shows that PS-MPs affect plant development: impacts were recorded on both germination and growth for dicots, and responses identified by biochemical markers of stress were increased in both lettuce and wheat. This highlights species-dependent effects as the four crops were grown under identical conditions to allow direct comparison. For future research, our study emphasizes the need to focus on crop specific effects, while also working towards knowledge of plastic-induced impacts at environmentally relevant conditions.


Asunto(s)
Microplásticos , Poliestirenos , Poliestirenos/toxicidad , Plásticos/farmacología , Plantones , Germinación , Lactuca , Triticum
16.
Environ Int ; 177: 108025, 2023 07.
Artículo en Inglés | MEDLINE | ID: mdl-37329761

RESUMEN

Research on theoretical prediction methods for the mixture toxicity of engineered nanoparticles (ENPs) faces significant challenges. The application of in silico methods based on machine learning is emerging as an effective strategy to address the toxicity prediction of chemical mixtures. Herein, we combined toxicity data generated in our lab with experimental data reported in the literature to predict the combined toxicity of seven metallic ENPs for Escherichia coli at different mixing ratios (22 binary combinations). We thereafter applied two machine learning (ML) techniques, support vector machine (SVM) and neural network (NN), and compared the differences in the ability to predict the combined toxicity by means of the ML-based methods and two component-based mixture models: independent action and concentration addition. Among 72 developed quantitative structure-activity relationship (QSAR) models by the ML methods, two SVM-QSAR models and two NN-QSAR models showed good performance. Moreover, an NN-based QSAR model combined with two molecular descriptors, namely enthalpy of formation of a gaseous cation and metal oxide standard molar enthalpy of formation, showed the best predictive power for the internal dataset (R2test = 0.911, adjusted R2test = 0.733, RMSEtest = 0.091, and MAEtest = 0.067) and for the combination of internal and external datasets (R2test = 0.908, adjusted R2test = 0.871, RMSEtest = 0.255, and MAEtest = 0.181). In addition, the developed QSAR models performed better than the component-based models. The estimation of the applicability domain of the selected QSAR models showed that all the binary mixtures in training and test sets were in the applicability domain. This study approach could provide a methodological and theoretical basis for the ecological risk assessment of mixtures of ENPs.


Asunto(s)
Nanopartículas del Metal , Relación Estructura-Actividad Cuantitativa , Redes Neurales de la Computación , Nanopartículas del Metal/toxicidad , Aprendizaje Automático , Óxidos , Escherichia coli
17.
Environ Pollut ; 333: 121894, 2023 Sep 15.
Artículo en Inglés | MEDLINE | ID: mdl-37271364

RESUMEN

Novel nanomaterial-based pesticide formulations are increasingly perceived as promising aids in the transition to more efficient agricultural production systems. The current understanding of potential unintended (eco)toxicological impacts of nano-formulated pesticides is scarce, in particular with regard to (non-target) aquatic organisms and ecosystems. The present study reports the results of a long-term freshwater mesocosm experiment which assessed responses of individual zooplankton taxa and communities to a novel TiO2-coated nano-formulation of the fungicide carbendazim. Population- and community trends were assessed and compared in response to the nano-formulation and its constituents applied individually (i.e. nano-sized TiO2, carbendazim) and in combination (i.e. nano-sized TiO2 & carbendazim). Minimal differences were observed between effects induced by the nano-formulation and its active ingredient (i.e. carbendazim) when applied at equivalent nominal test concentrations (4 µg L-1). Nano-sized TiO2 was found to affect zooplankton community trends when applied separately at environmentally realistic concentrations (20 µg L-1 nominal test concentration). However, when nano-sized TiO2 was applied in combination with carbendazim, nano-sized TiO2 was found not to alter effects on community trends induced by carbendazim. The findings of the current study provide an extensive and timely addition to the current body of work available on non-target impacts of nano-formulated pesticides.


Asunto(s)
Plaguicidas , Contaminantes Químicos del Agua , Animales , Zooplancton , Ecosistema , Plaguicidas/toxicidad , Contaminantes Químicos del Agua/análisis
18.
Environ Int ; 173: 107865, 2023 03.
Artículo en Inglés | MEDLINE | ID: mdl-36907039

RESUMEN

Nanomaterials are widespread in the human environment as pollutants, and are being actively developed for use in human medicine. We have investigated how the size and dose of polystyrene nanoparticles affects malformations in chicken embryos, and have characterized the mechanisms by which they interfere with normal development. We find that nanoplastics can cross the embryonic gut wall. When injected into the vitelline vein, nanoplastics become distributed in the circulation to multiple organs. We find that the exposure of embryos to polystyrene nanoparticles produces malformations that are far more serious and extensive than has been previously reported. These malformations include major congenital heart defects that impair cardiac function. We show that the mechanism of toxicity is the selective binding of polystyrene nanoplastics nanoparticles to neural crest cells, leading to the death and impaired migration of those cells. Consistent with our new model, most of the malformations seen in this study are in organs that depend for their normal development on neural crest cells. These results are a matter of concern given the large and growing burden of nanoplastics in the environment. Our findings suggest that nanoplastics may pose a health risk to the developing embryo.


Asunto(s)
Cardiopatías Congénitas , Cresta Neural , Animales , Embarazo , Femenino , Embrión de Pollo , Humanos , Cresta Neural/metabolismo , Microplásticos , Poliestirenos/toxicidad , Desarrollo Embrionario
19.
Environ Sci Technol ; 57(7): 2792-2803, 2023 Feb 21.
Artículo en Inglés | MEDLINE | ID: mdl-36747472

RESUMEN

Herein, we investigated to which extent metallic nanoparticles (MNPs) affect the trophic transfer of other coexisting MNPs from lettuce to terrestrial snails and the associated tissue-specific distribution using toxicokinetic (TK) modeling and single-particle inductively coupled plasma mass spectrometry. During a period of 22 days, snails were fed with lettuce leaves that were root exposed to AgNO3 (0.05 mg/L), AgNPs (0.75 mg/L), TiO2NPs (200 mg/L), and a mixture of AgNPs and TiO2NPs (equivalent doses as for single NPs). The uptake rate constants (ku) were 0.08 and 0.11 kg leaves/kg snail/d for Ag and 1.63 and 1.79 kg leaves/kg snail/d for Ti in snails fed with NPs single- and mixture-exposed lettuce, respectively. The elimination rate constants (ke) of Ag in snails exposed to single AgNPs and mixed AgNPs were comparable to the corresponding ku, while the ke for Ti were lower than the corresponding ku. As a result, single TiO2NP treatments as well as exposure to mixtures containing TiO2NPs induced significant biomagnification from lettuce to snails with kinetic trophic transfer factors (TTFk) of 7.99 and 6.46. The TTFk of Ag in the single AgNPs treatment (1.15 kg leaves/kg snail) was significantly greater than the TTFk in the mixture treatment (0.85 kg leaves/kg snail), while the fraction of Ag remaining in the body of snails after AgNPs exposure (36%) was lower than the Ag fraction remaining after mixture exposure (50%). These results indicated that the presence of TiO2NPs inhibited the trophic transfer of AgNPs from lettuce to snails but enhanced the retention of AgNPs in snails. Biomagnification of AgNPs from lettuce to snails was observed in an AgNPs single treatment using AgNPs number as the dose metric, which was reflected by the particle number-based TTFs of AgNPs in snails (1.67, i.e., higher than 1). The size distribution of AgNPs was shifted across the lettuce-snail food chain. By making use of particle-specific measurements and fitting TK processes, this research provides important implications for potential risks associated with the trophic transfer of MNP mixtures.


Asunto(s)
Cadena Alimentaria , Nanopartículas del Metal , Toxicocinética , Lactuca , Transporte Biológico
20.
Environ Sci Technol ; 57(46): 17786-17795, 2023 Nov 21.
Artículo en Inglés | MEDLINE | ID: mdl-36730792

RESUMEN

The wide production and use of metallic nanomaterials (MNMs) leads to increased emissions into the aquatic environments and induces high potential risks. Experimentally evaluating the (eco)toxicity of MNMs is time-consuming and expensive due to the multiple environmental factors, the complexity of material properties, and the species diversity. Machine learning (ML) models provide an option to deal with heterogeneous data sets and complex relationships. The present study established an in silico model based on a machine learning properties-environmental conditions-multi species-toxicity prediction model (ML-PEMST) that can be applied to predict the toxicity of different MNMs toward multiple aquatic species. Feature importance and interaction analysis based on the random forest method indicated that exposure duration, illumination, primary size, and hydrodynamic diameter were the main factors affecting the ecotoxicity of MNMs to a variety of aquatic organisms. Illumination was demonstrated to have the most interaction with the other features. Moreover, incorporating additional detailed information on the ecological traits of the test species will allow us to further optimize and improve the predictive performance of the model. This study provides a new approach for ecotoxicity predictions for organisms in the aquatic environment and will help us to further explore exposure pathways and the risk assessment of MNMs.


Asunto(s)
Organismos Acuáticos , Nanoestructuras , Nanoestructuras/toxicidad , Medición de Riesgo , Aprendizaje Automático
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