Mixture Touch: A Web Platform for the Evaluation of Complex Chemical Mixtures

Area of Science:

• Environmental Chemistry
• Analytical Chemistry
• Toxicology

Background:

• Chemical mixture risk assessment is hindered by inaccessible data on individual compounds.
• Comprehensive two-dimensional gas chromatography (GC × GC) offers powerful analysis of complex mixtures.
• Existing tools lack integrated solutions for GC × GC data and risk assessment.

Purpose of the Study:

• To introduce Mixture Touch, a free web platform for chemical mixture risk assessment.
• To integrate GC × GC data visualization, spectral identification, property estimation, and risk analysis.
• To demonstrate the platform's utility in assessing the bioaccumulation potential of industrial chemical mixtures.

Main Methods:

• Development of a user-friendly web platform, "Mixture Touch."
• Integration of data visualization tools for GC × GC outputs.
• Implementation of spectral identification and property estimation algorithms.
• Application of established risk assessment methodologies within the platform.

Main Results:

• The platform successfully visualizes GC × GC data and aids in spectral identification.
• Risk assessment of short-chain chlorinated paraffins (SCCPs) indicated low aquatic bioaccumulation potential.
• SCCP congener analysis suggested a higher tendency for human accumulation.
• Mixture Touch effectively bridges the gap between analytical data and risk assessment outcomes.

Conclusions:

• Mixture Touch provides a unified, free solution for complex chemical mixture risk assessment.
• The platform enhances the risk assessment process by leveraging advanced analytical data from GC × GC.
• It facilitates informed decision-making by making complex mixture data accessible to diverse scientific experts.