Application of Petroleomics for the Development of Strategies in Environmental Forensic Chemistry Applied to the Petroleum Area
Petroleomics; Oil Spill; GC/MS/MS; Environmental Contamination; Petroleum Biomarkers; FT-ICR-MS
Petroleum (or crude oil) is a natural mixture with high chemical complexity, whose consumption is linked to the development of the economy in modern society. It is known that the industrial processes of extraction, transport, and use of petroleum inevitably result in spills to the environment associated. In this scientific document, we describe two studies conducted with the purpose of developing and applying strategies related to environmental forensic petroleum chemistry. In Study I, we investigated the changes in the chemical composition of a crude oil during spill simulations in terrestrial and aquatic environments over time (from 1h to 120 hours), in an environmental forensic chemistry approach, using Fourier Transform Mass Spectrometry (FT-MS) data analysis using Atmospheric Pressure Photoionization (APPI(+)) and Electrospray Ionization (ESI(-)) sources. Chemical changes were found in the course of time up to 120h for molecular formulas of the constituent compounds of the petroleum under study, in terms of differences in abundances and distribution of Double Bond Equivalent (DBE) versus carbon number, referring for example to N, O and O2 classes, both in simulations of oil spills in terrestrial and aquatic environments. The data showed effectiveness in the application of the spill simulation chamber, whose use promoted relevant chemical modifications in the composition of the oil under study during the simulated spill process. In Study II, gas chromatography/sequence mass spectrometry (GC-MS/MS) analyses of twelve samples collected at the time of the oil spill that hit the Pernambuco coastal coast in 2019 were performed, with the purposes of chemically characterizing in terms of the biomarkers and performing an investigative approach to identify the possibility that additional unreported events may have contributed to the appearance of the oil material on the state's beaches. The absence of the biomarkers 18α(H)-oleanane and 18β(H)-oleanane isomers in the study of the chromatographic profiles of sample 10 as well as the results obtained for the multivariate statistical analyses of the data, indicated that it has chemical dissimilarities compared to the others, characterizing it as originating from an unknown source distinct from the source originating from the other eleven samples, which have similar characteristics among themselves.