Mixture Touch: A Web Platform for the Evaluation of Complex Chemical Mixtures
2020
Risk assessment of
chemical mixtures isRisk assessment of chemical
mixtures is challenging because information about the chemical structure,
concentration, properties, and toxicity, down to the individual compounds,
is generally not readily accessible. To cope with this challenge,
we think Mixture Touch― a web platform that offers a one-window
solution, for free, for the risk assessment of complex mixtures that
are analyzed with comprehensive two-dimensional gas chromatography
(GC × GC). GC × GC is a powerful analytical technique for
target and nontarget analysis of complex mixtures. Our web platform
allows users to visualize the GC × GC data, conduct spectral
identification, estimate properties, and analyze potential risks based
on established methods. For illustration purpose, we show how to assess
the aquatic bioaccumulation potential of short-chain chlorinated paraffin
(SCCP), which is an industrially manufactured mixture. The platform
readily demonstrated that most of the SCCP congeners did not have
the tendency to accumulate in aquatic organisms but in humans. The
platform can bridge the gap between the GC × GC experts, GC ×
GC users, analytical experts, and risk assessors. It could enhance
the level of risk assessments of mixtures utilizing the high performance
of the state-of-the-art analytical instruments.
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