TY - JOUR
T1 - A new approach towards biomarker selection in estimation of human exposure to chiral chemicals
T2 - A case study of mephedrone
AU - Castrignanò, Erika
AU - Mardal, Marie
AU - Rydevik, Axel
AU - Miserez, Bram
AU - Ramsey, John
AU - Shine, Trevor
AU - Panto, G. Dan
AU - Meyer, Markus R.
AU - Kasprzyk-Hordern, Barbara
N1 - Funding Information:
This work was supported by the European Union’s Seventh Framework Programme for research, technological development and demonstration [grant agreement 317205, the SEWPROF MC ITN project, ‘A new paradigm in drug use and human health risk assessment: Sewage profiling at the community level’]. The authors would like to thank Prof. Hans H. Maurer, Wessex Water, and in particular, Ruth Barden and operators of WWTPs for their help throughout the project.
Funding Information:
This work was supported by the European Union's Seventh Framework Programme for research, technological development and demonstration [grant agreement 317205, the SEWPROF MC ITN project, 'A new paradigm in drug use and human health risk assessment: Sewage profiling at the community level']. The authors would like to thank Prof. Hans H. Maurer, Wessex Water, and in particular, Ruth Barden and operators of WWTPs for their help throughout the project.
Publisher Copyright:
© 2017 The Author(s).
PY - 2017/12/1
Y1 - 2017/12/1
N2 - Wastewater-based epidemiology is an innovative approach to estimate public health status using biomarker analysis in wastewater. A new compound detected in wastewater can be a potential biomarker of an emerging trend in public health. However, it is currently difficult to select new biomarkers mainly due to limited human metabolism data. This manuscript presents a new framework, which enables the identification and selection of new biomarkers of human exposure to drugs with scarce or unknown human metabolism data. Mephedrone was targeted to elucidate the assessment of biomarkers for emerging drugs of abuse using a four-step analytical procedure. This framework consists of: (i) identification of possible metabolic biomarkers present in wastewater using an in-vivo study; (ii) verification of chiral signature of the target compound; (iii) confirmation of human metabolic residues in in-vivo/vitro studies and (iv) verification of stability of biomarkers in wastewater. Mephedrone was selected as a suitable biomarker due to its high stability profile in wastewater. Its enantiomeric profiling was studied for the first time in biological and environmental matrices, showing stereoselective metabolism of mephedrone in humans. Further biomarker candidates were also proposed for future investigation: 4′-carboxy-mephedrone, 4′-carboxy-normephedrone, 1-dihydro-mephedrone, 1-dihydro-normephedrone and 4′-hydroxy-normephedrone.
AB - Wastewater-based epidemiology is an innovative approach to estimate public health status using biomarker analysis in wastewater. A new compound detected in wastewater can be a potential biomarker of an emerging trend in public health. However, it is currently difficult to select new biomarkers mainly due to limited human metabolism data. This manuscript presents a new framework, which enables the identification and selection of new biomarkers of human exposure to drugs with scarce or unknown human metabolism data. Mephedrone was targeted to elucidate the assessment of biomarkers for emerging drugs of abuse using a four-step analytical procedure. This framework consists of: (i) identification of possible metabolic biomarkers present in wastewater using an in-vivo study; (ii) verification of chiral signature of the target compound; (iii) confirmation of human metabolic residues in in-vivo/vitro studies and (iv) verification of stability of biomarkers in wastewater. Mephedrone was selected as a suitable biomarker due to its high stability profile in wastewater. Its enantiomeric profiling was studied for the first time in biological and environmental matrices, showing stereoselective metabolism of mephedrone in humans. Further biomarker candidates were also proposed for future investigation: 4′-carboxy-mephedrone, 4′-carboxy-normephedrone, 1-dihydro-mephedrone, 1-dihydro-normephedrone and 4′-hydroxy-normephedrone.
UR - http://www.scopus.com/inward/record.url?scp=85032838569&partnerID=8YFLogxK
U2 - 10.1038/s41598-017-12581-3
DO - 10.1038/s41598-017-12581-3
M3 - Article
C2 - 29097766
AN - SCOPUS:85032838569
SN - 2045-2322
VL - 7
JO - Scientific Reports
JF - Scientific Reports
IS - 1
M1 - 13009
ER -
