How do we understand and model the interactions between nanomaterials and the environment?
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Understanding and Modeling Nanomaterial-Environment Interactions
Characterization of Nanomaterial Properties
Physicochemical Properties of Nanomaterials
Understanding the interactions between nanomaterials and the environment begins with a thorough characterization of their intrinsic physicochemical properties. These properties include size, surface charge, shape, and functionalization, which are crucial in determining the fate and impact of nanomaterials in biological and environmental systems1. The complexity of these interactions is heightened by the diverse ligands present in biomacromolecules and the multiple conformations they can assume to minimize their conformational free energy1.
Surface Interactions and Forces
The interactions between nanomaterials and their surrounding environment are influenced by multiple physical and chemical forces, such as electrostatic forces, hydrogen bonding, and hydrophobic forces. These interactions necessitate multidimensional characterization strategies, both experimentally and computationally, to understand the roles of surface physicochemical properties in various applications1.
Environmental Behavior and Fate
Aggregation and Transport
Nanoparticle aggregation poses significant challenges to understanding their transport and reactivity in the environment. The Derjaguin-Landau-Verwey-Overbeak (DLVO) theory is commonly used to describe the thermodynamic interactions between particles in suspension, but the unique properties of nanomaterials often challenge this model5. Aggregation affects the transport and reactivity of nanoparticles, influencing their environmental risk5.
Transformations in Environmental Media
Nanomaterials undergo various transformations in the environment, such as reactions with biomacromolecules, redox reactions, aggregation, and dissolution. These transformations alter the fate, transport, and toxicity of nanomaterials, making it essential to understand these processes to assess environmental risks accurately6.
Modeling Nanomaterial Interactions
Computational Methods
Computational methods, including molecular dynamics simulations, structure-activity relationship models, and physiologically-based pharmacokinetic models, are employed to analyze experimental data and predict interactions and biological behavior of nanomaterials1. These models help in understanding the complex interactions at the nano-bio interface and their implications for nanomaterial applications2.
Environmental Fate Models
Dynamic multimedia fate and transport models, such as the nanoFate model, predict the time-dependent accumulation of engineered nanomaterials across different environmental media. These models consider various processes and environmental subcompartments, reflecting different patterns of use and disposal4. For instance, simulations of nano CeO2, CuO, TiO2, and ZnO in the San Francisco Bay area showed that even soluble metal oxide nanomaterials might accumulate in the environment in concentrations sufficient to exceed toxic thresholds4.
Challenges and Future Directions
Knowledge Gaps and Analytical Capabilities
Despite substantial developments, critical gaps remain in understanding the environmental behavior of nanomaterials due to the lack of analytical, modeling, and field capabilities. A significant knowledge gap is the lack of data on environmental concentrations and dosimetry3. Additionally, the translation of scientific understanding into regulation and policy remains challenging3.
Integrated Systems Approach
An integrated systems approach, combining computation and simulation across different scales, is necessary to address the complex interactions of nanomaterials with biological and environmental systems. This approach should include real-time measurements of nanomaterial-biological interactions and delineation of molecular modes of action for nanomaterial effects on living systems7.
Conclusion
Understanding and modeling the interactions between nanomaterials and the environment require a comprehensive approach that includes detailed characterization of physicochemical properties, understanding of aggregation and transformation processes, and the use of advanced computational models. Addressing the existing knowledge gaps and employing an integrated systems approach will be crucial for the safe and sustainable development of nanomaterials.
Sources and full results
Most relevant research papers on this topic
Biological and environmental surface interactions of nanomaterials: characterization, modeling, and prediction.
Understanding nano-bio interactions is crucial for designing, applying, and safely handling nanomaterials in biomedical and environmental fields.
Understanding biophysicochemical interactions at the nano-bio interface.
Nanoparticle-biological interfaces influence biocompatible or bioadverse outcomes, and understanding these interactions is crucial for safe nanomaterial use.
Highly CitedNanomaterials in the environment: Behavior, fate, bioavailability, and effects—An updated review
Nanomaterials may pose a relatively low environmental risk, but definitive conclusions cannot be drawn due to uncertainty and lack of data in many areas.
Literature ReviewHighly CitedAssessing the Risk of Engineered Nanomaterials in the Environment: Development and Application of the nanoFate Model.
The nanoFate model predicts that metallic engineered nanomaterials can accumulate in sufficient concentrations to exceed toxic thresholds in freshwater and some soils, with high-production nanomaterials like TiO2 and ZnO more likely to do so.
Highly CitedNanoparticle aggregation: challenges to understanding transport and reactivity in the environment.
Nanoparticle aggregation poses challenges to understanding transport and reactivity in the environment, highlighting the importance of understanding aggregation effects on transport and risk.
Literature ReviewHighly CitedTransformations of nanomaterials in the environment.
Nanomaterials undergo various transformations in the environment, altering their fate, transport, and toxicity, requiring further research to better understand environmental risks posed by these materials.
Highly CitedBiological Responses to Engineered Nanomaterials: Needs for the Next Decade
Nanomaterials have potential for beneficial applications, but addressing potential adverse impacts requires advanced measurement, real-time monitoring, molecular mode of action delineation, and integrated systems approach.
Highly CitedUnderstanding nanoparticle cellular entry: A physicochemical perspective.
Nanoparticle physical parameters, such as size, shape, and surface chemistry, influence their cellular uptake and nanotoxicity, with potential implications for medicine and materials.
Highly CitedBiological and environmental interactions of emerging two-dimensional nanomaterials.
Understanding biological responses to two-dimensional nanomaterials is crucial for developing safe and successful technologies in electronics, sensors, energy storage, and biomedicine.
Literature ReviewHighly CitedModeling nanomaterial environmental fate in aquatic systems.
Modeling the environmental fate of nanomaterials in aquatic systems is improving, but challenges remain in incorporating experimental research into models and addressing the gap between modelers and experimentalists.
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