Predicting exposure concentrations of chemicals with a wide range of volatility and hydrophobicity in different multi-well plate set-ups

Abstract Quantification of chemical toxicity in small-scale bioassays is challenging owing to small volumes used and extensive analytical resource needs. Yet, relying on nominal concentrations for effect determination maybe erroneous because loss processes can significantly reduce the actual exposur...

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Autores principales:	Julita Stadnicka-Michalak, Nadine Bramaz, René Schönenberger, Kristin Schirmer
Formato:	article
Lenguaje:	EN
Publicado:	Nature Portfolio 2021
Materias:	Medicine R Science Q
Acceso en línea:	https://doaj.org/article/65f7288b839245649cfd6530aa6a9b08
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spelling	oai:doaj.org-article:65f7288b839245649cfd6530aa6a9b082021-12-02T13:19:22ZPredicting exposure concentrations of chemicals with a wide range of volatility and hydrophobicity in different multi-well plate set-ups10.1038/s41598-021-84109-92045-2322https://doaj.org/article/65f7288b839245649cfd6530aa6a9b082021-02-01T00:00:00Zhttps://doi.org/10.1038/s41598-021-84109-9https://doaj.org/toc/2045-2322Abstract Quantification of chemical toxicity in small-scale bioassays is challenging owing to small volumes used and extensive analytical resource needs. Yet, relying on nominal concentrations for effect determination maybe erroneous because loss processes can significantly reduce the actual exposure. Mechanistic models for predicting exposure concentrations based on distribution coefficients exist but require further validation with experimental data. Here we developed a complementary empirical model framework to predict chemical medium concentrations using different well-plate formats (24/48-well), plate covers (plastic lid, or additionally aluminum foil or adhesive foil), exposure volumes, and biological entities (fish, algal cells), focusing on the chemicals’ volatility and hydrophobicity as determinants. The type of plate cover and medium volume were identified as important drivers of volatile chemical loss, which could accurately be predicted by the framework. The model focusing on adhesive foil as cover was exemplary cross-validated and extrapolated to other set-ups, specifically 6-well plates with fish cells and 24-well plates with zebrafish embryos. Two case study model applications further demonstrated the utility of the empirical model framework for toxicity predictions. Thus, our approach can significantly improve the applicability of small-scale systems by providing accurate chemical concentrations in exposure media without resource- and time-intensive analytical measurements.Julita Stadnicka-MichalakNadine BramazRené SchönenbergerKristin SchirmerNature PortfolioarticleMedicineRScienceQENScientific Reports, Vol 11, Iss 1, Pp 1-14 (2021)
institution	DOAJ
collection	DOAJ
language	EN
topic	Medicine R Science Q
spellingShingle	Medicine R Science Q Julita Stadnicka-Michalak Nadine Bramaz René Schönenberger Kristin Schirmer Predicting exposure concentrations of chemicals with a wide range of volatility and hydrophobicity in different multi-well plate set-ups
description	Abstract Quantification of chemical toxicity in small-scale bioassays is challenging owing to small volumes used and extensive analytical resource needs. Yet, relying on nominal concentrations for effect determination maybe erroneous because loss processes can significantly reduce the actual exposure. Mechanistic models for predicting exposure concentrations based on distribution coefficients exist but require further validation with experimental data. Here we developed a complementary empirical model framework to predict chemical medium concentrations using different well-plate formats (24/48-well), plate covers (plastic lid, or additionally aluminum foil or adhesive foil), exposure volumes, and biological entities (fish, algal cells), focusing on the chemicals’ volatility and hydrophobicity as determinants. The type of plate cover and medium volume were identified as important drivers of volatile chemical loss, which could accurately be predicted by the framework. The model focusing on adhesive foil as cover was exemplary cross-validated and extrapolated to other set-ups, specifically 6-well plates with fish cells and 24-well plates with zebrafish embryos. Two case study model applications further demonstrated the utility of the empirical model framework for toxicity predictions. Thus, our approach can significantly improve the applicability of small-scale systems by providing accurate chemical concentrations in exposure media without resource- and time-intensive analytical measurements.
format	article
author	Julita Stadnicka-Michalak Nadine Bramaz René Schönenberger Kristin Schirmer
author_facet	Julita Stadnicka-Michalak Nadine Bramaz René Schönenberger Kristin Schirmer
author_sort	Julita Stadnicka-Michalak
title	Predicting exposure concentrations of chemicals with a wide range of volatility and hydrophobicity in different multi-well plate set-ups
title_short	Predicting exposure concentrations of chemicals with a wide range of volatility and hydrophobicity in different multi-well plate set-ups
title_full	Predicting exposure concentrations of chemicals with a wide range of volatility and hydrophobicity in different multi-well plate set-ups
title_fullStr	Predicting exposure concentrations of chemicals with a wide range of volatility and hydrophobicity in different multi-well plate set-ups
title_full_unstemmed	Predicting exposure concentrations of chemicals with a wide range of volatility and hydrophobicity in different multi-well plate set-ups
title_sort	predicting exposure concentrations of chemicals with a wide range of volatility and hydrophobicity in different multi-well plate set-ups
publisher	Nature Portfolio
publishDate	2021
url	https://doaj.org/article/65f7288b839245649cfd6530aa6a9b08
work_keys_str_mv	AT julitastadnickamichalak predictingexposureconcentrationsofchemicalswithawiderangeofvolatilityandhydrophobicityindifferentmultiwellplatesetups AT nadinebramaz predictingexposureconcentrationsofchemicalswithawiderangeofvolatilityandhydrophobicityindifferentmultiwellplatesetups AT reneschonenberger predictingexposureconcentrationsofchemicalswithawiderangeofvolatilityandhydrophobicityindifferentmultiwellplatesetups AT kristinschirmer predictingexposureconcentrationsofchemicalswithawiderangeofvolatilityandhydrophobicityindifferentmultiwellplatesetups
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Predicting exposure concentrations of chemicals with a wide range of volatility and hydrophobicity in different multi-well plate set-ups

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