New Insights into Health Risk Assessments for Inhalational Exposure to Metal(loid)s: The Application of Aqueous Chemistry Modelling in Understanding Bioaccessibility from Airborne Particulate Matter
نویسندگان
چکیده
Aqueous modelling of chemical speciation in simulated lung fluid (SLF) enables a better understanding the underlying factors that influence metal(loid) inhalation bioaccessibility from airborne particulate matter. Such an approach can be used to supplement experimental techniques are integral health risk assessment exposure by inhalational routes. In this paper, we modelled aqueous chemistry particulate-bound metal(loid)s (As, Cu, Mn, Pb and Zn) SLF based on Gamble’s solution (neutral pH). The was performed using two software packages (Geochemist’s Workbench 14 OLI Studio 9.5) total five thermochemical databases (GWB Thermo, MINTEQ, PHREEQC, WATEQ4F default database for Studio). Modelled results were compared with experimentally determined bioaccessibilities NIST 2710a standard reference material (SRM) literature-reported 1648a BCR 038 SRMs. Whilst models correctly describe observed increase more dilute solid/liquid extraction ratios, performance against fractional bias mean (FBmean) normalised square error (NMSE) statistical metrics generally outside acceptance criteria. Findings analysis main species predicted present indicate carbonate chloride complexes Zn predominate, whilst free cations (for Mn hydroxides Cu) also play role solubilisation. Arsenic is not form significant components mainly as HAsO42− ion its conjugate acid, H2AsO4−. For runs where glycine citrate present, increases bioavailability Cu result complexation these ligands. An additional finding our inclusion surfactant dipalmitoylphosphatidylcholine (DPPC) did significantly affect bioaccessibility. Our study provides useful insights into likely aqueous- solid-phase highlights future developments area should consider mineralogy surface interactions.
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ژورنال
عنوان ژورنال: Geosciences
سال: 2021
ISSN: ['2076-3263']
DOI: https://doi.org/10.3390/geosciences11020047