Petroleomics: an approach using comprehensive Two-Dimension gas chromatography coupled with mass spectrometry and chemometrics

• Grant number: 15/08201-0
• Support Opportunities: Scholarships in Brazil - Post-Doctorate
• Effective date (Start): September 01, 2015
• Effective date (End): April 30, 2018
• Field of knowledge: Physical Sciences and Mathematics - Chemistry - Analytical Chemistry
• Principal Investigator: Fabio Augusto
• Grantee: Guilherme Lionello Alexandrino
• Host Institution: Instituto de Química (IQ). Universidade Estadual de Campinas (UNICAMP). Campinas , SP, Brazil
• Associated scholarship(s): 16/18453-0 - Analysis of saturated biomarkers and polycyclic aromatic compounds in forensic applications of oil spill to the environment using GC×GC-qTOFMS and chemometrics, BE.EP.PD

Abstract

This project aims to develop new approaches to characterize the crude oil extracted from Brazil. The project belongs to the petroleomics field, presenting the use of modern analytical strategies to characterize the complex chemical composition of the crude oils extracted from the Brazilian offshores. The analytical tool chosen for this project is the Comprehensive Two-Dimension Gas Chromatography (GC×GC) coupled with Mass Spectrometry - quadrupolar mass analyzer (qMS), which fits satisfactorily well the purposes of the project. The high complexity of the crude oil that results in high amount of instrumental data will require the development of analytical methodologies using the multivariate data analysis concepts (or chemometrics). Therefore, the obtaining of the oil's fingerprints, exploratory analysis and classification according to their natural origin, resolution of coeluted GC×GC-qMS peaks and the quantification of potential biomarkers should be performed by the use of chemometrics to effectively extract most of the chemical information from this high complex matrix. It is expected that the results from this research may contribute for further comprehension about the chemical complexity of the Brazilian crude oils, and new analytical methods may be revealed to successfully explore the GC×GC-MS - chemometrics approach when handling this ubiquitous natural resource.

Scientific publications

(8)

(References retrieved automatically from Web of Science and SciELO through information on FAPESP grants and their corresponding numbers as mentioned in the publications by the authors)

POLLO, BRENO J.; ALEXANDRINO, GUILHERME L.; AUGUSTO, FABIO; HANTAO, LEANDRO W.. The impact of comprehensive two-dimensional gas chromatography on oil & gas analysis: Recent advances and applications in petroleum industry. TRAC-TRENDS IN ANALYTICAL CHEMISTRY, v. 105, p. 202-217, AUG 2018. (15/08201-0, 15/05059-9)

ALEXANDRINO, GUILHERME L.; DE SOUSA JUNIOR, GUSTAVO R.; REIS, FRANCISCO DE A. M.; AUGUSTO, FABIO. Optimizing loop-type cryogenic modulation in comprehensive two-dimensional gas chromatography using time-variable combination of the dual-stage jets for analysis of crude oil. Journal of Chromatography A, v. 1536, p. 82-87, FEB 9 2018. (15/08201-0)

ALEXANDRINO, GUILHERME L.; TOMASI, GIORGIO; KIENHUIS, PAUL G. M.; AUGUSTO, FABIO; CHRISTENSEN, JAN H.. Forensic Investigations of Diesel Oil Spills in the Environment Using Comprehensive Two-Dimensional Gas Chromatography-High Resolution Mass Spectrometry and Chemometrics: New Perspectives in the Absence of Recalcitrant Biomarkers. Environmental Science & Technology, v. 53, n. 1, p. 550-559, JAN 1 2019. (15/08201-0, 16/18453-0)

ALEXANDRINO, GUILHERME L.; PRATA, PALOMA S.; AUGUSTO, FABIO. Discriminating Lacustrine and Marine Organic Matter Depositional Paleoenvironments of Brazilian Crude Oils Using Comprehensive Two-Dimensional Gas Chromatography-Quadrupole Mass Spectrometry and Supervised Classification Chemometric Approaches. ENERGY & FUELS, v. 31, n. 1, p. 170-178, JAN 2017. (15/08201-0)

DE ALMEIDA, VALERIA; ALEXANDRINO, GUILHERME L.; AQUINO, ADRIANO; GOMES, ALEXANDRE F.; MURGU, MICHAEL; DOBROWOLNY, HENRIK; GUEST, PAUL C.; STEINER, JOHANN; MARTINS-DE-SOUZA, DANIEL. Changes in the blood plasma lipidome associated with effective or poor response to atypical antipsychotic treatments in schizophrenia patients. PROGRESS IN NEURO-PSYCHOPHARMACOLOGY & BIOLOGICAL PSYCHIATRY, v. 101, JUL 13 2020. (17/25588-1, 15/08201-0, 14/10068-4, 17/18242-1, 15/09159-8, 19/00098-7)

ALEXANDRINO, GUILHERME L.; AUGUSTO, FABIO. Comprehensive Two-Dimensional Gas Chromatography-Mass Spectrometry/Selected Ion Monitoring (GCxGC-MS/SIM) and Chemometrics to Enhance Inter-Reservoir Geochemical Features of Crude Oils. ENERGY & FUELS, v. 32, n. 8, p. 8017-8023, AUG 2018. (15/08201-0)

ALEXANDRINO, GUILHERME L.; MALMBORG, JONAS; AUGUSTO, FABIO; CHRISTENSEN, JAN H.. Investigating weathering in light diesel oils using comprehensive two-dimensional gas chromatography-High resolution mass for spectrometry and pixel-based analysis: Possibilities and limitations. Journal of Chromatography A, v. 1591, p. 155-161, APR 26 2019. (15/08201-0, 16/18453-0)

AQUINO, ADRIANO; ALEXANDRINO, GUILHERME L.; GUEST, PAUL C.; AUGUSTO, FABIO; GOMES, ALEXANDRE F.; MURGU, MICHAEL; STEINER, JOHANN; MARTINS-DE-SOUZA, DANIEL. Blood-Based Lipidomics Approach to Evaluate Biomarkers Associated With Response to Olanzapine, Risperidone, and Quetiapine Treatment in Schizophrenia Patients. FRONTIERS IN PSYCHIATRY, v. 9, MAY 25 2018. (17/25588-1, 15/08201-0, 15/09159-8, 13/08711-3, 14/10068-4)