https://doi.org/10.25678/00024Z

Data for: Estrogenic activity of food contact materials-evaluation of 20 chemicals using a yeast estrogen screen on HPTLC or 96-well plates

This package contains data and code used in the publication with the following abstract. Food contact materials (FCM) may contain complex mixtures of estrogenic chemicals. A yeast estrogen screen performed on high performance thin-layer chromatography plates (planar-YES, P-YES) is promising for analysis ofsuch mixtures, as it could allow for better elucidation ofeffects compared with established methods in microtiter plates. However, the P-YES has not been directly compared with established methods. We compared the performance ofa microtiter plate YES (lyticase-YES, L-YES) to P-YES on silica gel HPTLC plates using 17β-estradiol (E2), 20 chemicals representative ofmigrants from plastic FCM, and three migrates ofcoated metal food cans. Effective doses (ED10,ED50) and estradiol equivalencies were calculated for each chemical. Thirteen chemicals had calculable EDs in the L-YES or P-YES, with average EDs 13-fold (range 0.63–36) more potent in P-YES than in the L-YES. Normalized to E2, the median estrogenicity was within 1.5-fold (0.43–8.8) between the assays. Therefore, PYES was as or more sensitive than L-YES but potencies relative to E2 were comparable between assays. With chromatography, the P-YES detected estrogenicity in coated metal cans, effects that were unmeasurable in L-YES. With the sample preparation methods used in this study, both YES assays are sufficiently sensitive to detect bisphenol A below the specific migration limit for plastic packaging (0.05 mg/kg food). This study demonstrates that P-YES outperforms L-YES because it is more sensitive, provides comparable estradiol equivalents, and circumvents confounding mixture effects. The P-YES will be useful for routine monitoring ofFCM and toxicant identification in problematic materials.

Data and Resources

Citation

This Data Package

Bergmann, A. J., Simon, E., Schifferli, A., Schoenborn, A., & Vermeirssen, E. (2021). Data for: Estrogenic activity of food contact materials-evaluation of 20 chemicals using a yeast estrogen screen on HPTLC or 96-well plates (Version 1.0) [Data set]. Eawag: Swiss Federal Institute of Aquatic Science and Technology. https://doi.org/10.25678/00024Z

The associated article

Bergmann, A. J., Simon, E., Schifferli, A., Schönborn, A., & Vermeirssen, E. L. M. (2020). Estrogenic activity of food contact materials—evaluation of 20 chemicals using a yeast estrogen screen on HPTLC or 96-well plates. Analytical and Bioanalytical Chemistry, 412(19), 4527–4536. https://doi.org/10.1007/s00216-020-02701-w

Metadata

Open Data Open Data
Author
  • Bergmann, AlanJames
  • Simon, Estzer
  • Schifferli, Andrea
  • Schoenborn, Andreas
  • Vermeirssen, Etienne
Keywords yeast estrogen screen,thin-layer chromatography,in vitro,food packaging,dose-response modeling
Variables
  • color
  • fluorescence
Substances (scientific names)
  • 1,3-Diphenylpropane (InChI=1S/C15H16/c1-3-8-14(9-4-1)12-7-13-15-10-5-2-6-11-15/h1-6,8-11H,7,12-13H2)
  • 17beta-Estradiol (InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1)
  • 2,2'-Dihydroxy-4-methoxybenzophenone (InChI=1S/C14H12O4/c1-18-9-6-7-11(13(16)8-9)14(17)10-4-2-3-5-12(10)15/h2-8,15-16H,1H3)
  • 2,4-Bis(1-methyl-1-phenylethyl)phenol (InChI=1S/C24H26O/c1-23(2,18-11-7-5-8-12-18)20-15-16-22(25)21(17-20)24(3,4)19-13-9-6-10-14-19/h5-17,25H,1-4H3)
  • 2,4-Di-tert-butylphenol (InChI=1S/C14H22O/c1-13(2,3)10-7-8-12(15)11(9-10)14(4,5)6/h7-9,15H,1-6H3)
  • 2-Hydroxy-4-methoxybenzophenone (InChI=1S/C14H12O3/c1-17-11-7-8-12(13(15)9-11)14(16)10-5-3-2-4-6-10/h2-9,15H,1H3)
  • 4-Nonylphenol (InChI=1S/C15H24O/c1-2-3-4-5-6-7-8-9-14-10-12-15(16)13-11-14/h10-13,16H,2-9H2,1H3)
  • 4-Phenylphenol (InChI=1S/C12H10O/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9,13H)
  • 4-tert-Butylphenyl salicylate (InChI=1S/C17H18O3/c1-17(2,3)12-8-10-13(11-9-12)20-16(19)14-6-4-5-7-15(14)18/h4-11,18H,1-3H3)
  • Benzyl butyl phthalate (InChI=1S/C19H20O4/c1-2-3-13-22-18(20)16-11-7-8-12-17(16)19(21)23-14-15-9-5-4-6-10-15/h4-12H,2-3,13-14H2,1H3)
  • Bis(2-ethylhexyl)hexanedioate (InChI=1/C22H42O4/c1-5-9-13-19(7-3)17-25-21(23)15-11-12-16-22(24)26-18-20(8-4)14-10-6-2/h19-20H,5-18H2,1-4H3)
  • Bis(4-hydroxyphenyl)methane (InChI=1S/C13H12O2/c14-12-5-1-10(2-6-12)9-11-3-7-13(15)8-4-11/h1-8,14-15H,9H2)
  • Bisphenol A (InChI=1S/C15H16O2/c1-15(2,11-3-7-13(16)8-4-11)12-5-9-14(17)10-6-12/h3-10,16-17H,1-2H3)
  • Bisphenol B (InChI=1S/C16H18O2/c1-3-16(2,12-4-8-14(17)9-5-12)13-6-10-15(18)11-7-13/h4-11,17-18H,3H2,1-2H3)
  • Butylated hydroxytoluene (InChI=1S/C15H24O/c1-10-8-11(14(2,3)4)13(16)12(9-10)15(5,6)7/h8-9,16H,1-7H3)
  • Dihexyl phthalate (InChI=1S/C20H30O4/c1-3-5-7-11-15-23-19(21)17-13-9-10-14-18(17)20(22)24-16-12-8-6-4-2/h9-10,13-14H,3-8,11-12,15-16H2,1-2H3)
  • Diisobutyl phthalate (InChI=1S/C16H22O4/c1-11(2)9-19-15(17)13-7-5-6-8-14(13)16(18)20-10-12(3)4/h5-8,11-12H,9-10H2,1-4H3)
  • Nonylphenolphosphite(3:1) (InChI=1S/C45H69O3P/c1-4-7-10-13-16-19-22-31-40-34-25-28-37-43(40)46-49(47-44-38-29-26-35-41(44)32-23-20-17-14-11-8-5-2)48-45-39-30-27-36-42(45)33-24-21-18-15-12-9-6-3/h25-30,34-39H,4-24,31-33H2,1-3H3)
  • nonylphenyl ethoxylate (InChI=1S/C19H32O3/c1-2-3-4-5-6-7-8-9-18-10-12-19(13-11-18)22-17-16-21-15-14-20/h10-13,20H,2-9,14-17H2,1H3)
  • Phenol, 4-cyclohexyl- (InChI=1S/C12H16O/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h6-10,13H,1-5H2)
  • Triphenyl phosphate (InChI=1S/C18H15O4P/c19-23(20-16-10-4-1-5-11-16,21-17-12-6-2-7-13-17)22-18-14-8-3-9-15-18/h1-15H)
Substances (generic terms)
  • (xeno)estrogens
  • additives
  • food contact chemicals
  • plasticizers
Taxa (scientific names)
  • Sacromyces cerevisiae
Organisms (generic terms)
  • yeast
Systems
  • lab
Timerange
  • *
Review Level none
Curator Bergmann, AlanJames
Contact Vermeirssen, Etienne <Etienne.Vermeirssen@oekotoxzentrum.ch>
DOI 10.25678/00024Z