Although thousands of different chemicals have been identified in cigarette smoke, the characterization of urinary metabolites derived from those compounds is still not completely achieved. The aim of this work was to perform an untargeted metabolomic experiment on a pilot cross-sectional study conducted on subjects with different smoking habits. Urine samples were collected from 67 adults; including 38 non-smokers, 7 electronic cigarette smokers, and 22 traditional tobacco smokers. Samples were analyzed by liquid chromatography/time-of flight mass spectrometer operating in data dependent mode. Data were processed using the R-packages IPO and XCMS to perform feature detection, retention time correction and alignment. The ANOVA test was used to detect significant features among groups. The software BEAMS (University of Birmingham) was implemented for grouping adducts and isotopes, and to perform a first annotation. Annotation was completed by comparing fragmentation patterns with on-line databases as Metlin, and using the software MS-FINDER. One hundred and seventeen features, out of 3613, were statistically different among groups. We estimated that they correspond to about 80 metabolites, for which we were able to putatively annotate about half. Among these, the identification of the glucuronide conjugated of 3-hydroxycotinine supports the validity of the proposed approach. Furthermore, several metabolites, mostly as sulfate conjugates, derived from chemicals known to be present in tobacco smoke, were annotated, among which the metabolite of methoxyphenol, acrolein, 1,3-butadiene, and crotonaldeide.

Investigation of urine metabolites related to tobacco smoke chemicals using an untargeted metabolomic approach / G. Frigerio, R. Mercadante, L. Campo, E. Polledri, L. Olgiati, P. Missineo, L. Boniardi, W.J. Nash, W.B. Dunn, S. Fustinoni. ((Intervento presentato al 2. convegno Exposome Symposium : Emerging Science and Technology for Effective Prevention and Healthy Outcomes tenutosi a Brescia nel 2019.

Investigation of urine metabolites related to tobacco smoke chemicals using an untargeted metabolomic approach

G. Frigerio
Primo
;
R. Mercadante
Secondo
;
L. Campo;E. Polledri;L. Boniardi;S. Fustinoni
Ultimo
2019

Abstract

Although thousands of different chemicals have been identified in cigarette smoke, the characterization of urinary metabolites derived from those compounds is still not completely achieved. The aim of this work was to perform an untargeted metabolomic experiment on a pilot cross-sectional study conducted on subjects with different smoking habits. Urine samples were collected from 67 adults; including 38 non-smokers, 7 electronic cigarette smokers, and 22 traditional tobacco smokers. Samples were analyzed by liquid chromatography/time-of flight mass spectrometer operating in data dependent mode. Data were processed using the R-packages IPO and XCMS to perform feature detection, retention time correction and alignment. The ANOVA test was used to detect significant features among groups. The software BEAMS (University of Birmingham) was implemented for grouping adducts and isotopes, and to perform a first annotation. Annotation was completed by comparing fragmentation patterns with on-line databases as Metlin, and using the software MS-FINDER. One hundred and seventeen features, out of 3613, were statistically different among groups. We estimated that they correspond to about 80 metabolites, for which we were able to putatively annotate about half. Among these, the identification of the glucuronide conjugated of 3-hydroxycotinine supports the validity of the proposed approach. Furthermore, several metabolites, mostly as sulfate conjugates, derived from chemicals known to be present in tobacco smoke, were annotated, among which the metabolite of methoxyphenol, acrolein, 1,3-butadiene, and crotonaldeide.
Settore MED/44 - Medicina del Lavoro
Institute for Exposomic Research (Mount Sinai Institute)
Università di Brescia
Associazione Italiana di Epidemiologia
Investigation of urine metabolites related to tobacco smoke chemicals using an untargeted metabolomic approach / G. Frigerio, R. Mercadante, L. Campo, E. Polledri, L. Olgiati, P. Missineo, L. Boniardi, W.J. Nash, W.B. Dunn, S. Fustinoni. ((Intervento presentato al 2. convegno Exposome Symposium : Emerging Science and Technology for Effective Prevention and Healthy Outcomes tenutosi a Brescia nel 2019.
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Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/2434/702511
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