Our Exposure Fate & Biokinetics Pipeline
Integrated computational workflows from environmental release through human exposure, dose estimation, and biological fate
Environmental Release & Multimedia Fate
Model the environmental distribution of chemicals, PFAS, nanomaterials, and microplastics across air, water, soil, and sediment compartments using multimedia fate models. Predict concentrations and persistence under real-world environmental conditions.
Exposure Assessment & Indoor/Outdoor Scenarios
Estimate human and ecological exposure through inhalation, ingestion, and dermal contact pathways. From predicted indoor air concentrations to occupational and consumer exposure scenarios for regulatory risk assessment.
Lung Deposition & Regional Dosimetry
Predict where inhaled particles deposit in the human respiratory tract — extrathoracic, tracheobronchial, and alveolar regions — based on particle size, density, breathing patterns, and morphometric lung models.
Bioaccumulation & Biokinetics
Model the uptake, distribution, and bioaccumulation of nanomaterials and chemicals in soil and aquatic invertebrates. Predict internal organ concentrations and bioconcentration factors for ecological risk assessment.
Integrated Risk Assessment & Decision Support
Combine exposure, fate, and dose models into integrated testing and assessment strategies. Provide decision support systems for advanced material risk management, regulatory compliance, and Safe and Sustainable by Design (SSbD) frameworks.
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The platforms and frameworks behind our exposure fate and biokinetics tools
Enalos Cloud Platform
All exposure fate and biokinetics tools are deployed on the Enalos Cloud Platform — NovaMechanics' FAIR-compliant infrastructure for scientific web applications. Each tool provides RESTful APIs, user-friendly interfaces, and seamless integration with EU research project ecosystems.
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Isalos Analytics Platform
End-to-end workflow automation for data manipulation, machine learning model development, and predictive analytics. Isalos powers the QSAR/QSPR models and statistical analyses behind our environmental fate predictions — no programming required.
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Real-world applications where our exposure fate and biokinetics tools delivered peer-reviewed results
SimpleBox4Planet: Planetary-Scale PFAS Fate Modelling
Mackay Level III/IV multimedia fate model deployed on the Enalos Cloud, modelling ~4,000 PFAS across arctic, moderate, and tropic zones with FAIR-compliant REST APIs.
Read Case StudyMicroPlasticFate: Multimedia Micro/Nanoplastic Fate
SimpleBox4Plastic model computing fate factors for PP, PET, and LDPE across environmental compartments with predefined and custom emission scenarios.
Read Case StudyLungDepo: PFAS Lung Deposition Dosimetry
ICRP and MPPD particle deposition models quantifying mass deposition and surface area coverage across three lung regions — featured as cover article in Environmental Science: Nano.
Read Case StudyNanoBioAccumulate: NM Biokinetics in Organisms
One-compartment biokinetic models with genetic algorithm fitting for Ag, TiO2, SiO2, C60, graphene, and Au nanomaterial bioaccumulation in D. magna, earthworms, and D. rerio.
Read Case StudyDIAGONAL DSS: Control Banding for Advanced Materials
Decision support system combining hazard and exposure banding into a 5-level risk matrix for HARNs and MCNMs, with COSHH Essentials and Stoffenmanager nano integration.
Read Case StudyIntegrated IATA: From Indoor Air to Biodistribution
Three integrated in silico models — aerosol dynamics, lung deposition, and PBPK biodistribution — for TiO2 nanomaterial occupational exposure assessment.
Read Case StudyNP Delivery Optimizer: Drug Delivery Efficiency
Compartmental model optimizing PEG-coated Au nanoparticle delivery efficiency using sensitivity analysis, achieving SODI of 0.88 for IV administration to lungs.
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