Characterization of oil complex hydrocarbon mixtures by HSQC-NMR spectroscopy and PCA

The degree of changes in complex mixtures from crude oil (CO) and from oil residues in soils was determined by using heteronuclear single quantum coherence-nuclear magnetic resonance (HSQC-NMR) spectroscopy. The HSQC-NMR spectra of crude oil samples and two oil residues with natural attenuation (E1...

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Autores principales: Rios, S.M., Barquín, M., Nudelman, N.S.
Formato: INPR
Lenguaje:English
Materias:
Biopiles
Crude oil
HSQC
Natural attenuation
NMR
Oil spill
Acceso en línea:http://hdl.handle.net/20.500.12110/paper_08943230_v_n_p_Rios
Aporte de:
Biblioteca Digital - Facultad de Ciencias Exactas y Naturales (UBA) de Universidad de Buenos Aires
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spelling todo:paper_08943230_v_n_p_Rios2023-10-03T15:42:06Z Characterization of oil complex hydrocarbon mixtures by HSQC-NMR spectroscopy and PCA Rios, S.M. Barquín, M. Nudelman, N.S. Biopiles Crude oil HSQC Natural attenuation NMR Oil spill The degree of changes in complex mixtures from crude oil (CO) and from oil residues in soils was determined by using heteronuclear single quantum coherence-nuclear magnetic resonance (HSQC-NMR) spectroscopy. The HSQC-NMR spectra of crude oil samples and two oil residues with natural attenuation (E1 and E2), and two biopiles (B1 and B2) were recorded using a 500-MHz spectrometer. The spectra could be divided into major regions according to the different types of protons and carbons. Twenty-three regions (A1-A5, B1-B11, C1-C3, D1-D3, and E) were defined on the basis of signal assignments. A multivariate method, the principal component analysis (PCA), was used to search the change in the structural parameters during the environmental exposure time. The first two principal components (PCs) accounted for the 83.3% of the total variance (51.8% and 31.5% for PC1 and PC2, respectively). The euclidean distances (3D) between the samples are 2.80 (CO-E2), 2.37 (CO-E1), 1.62 (CO-BP1), and 1.72 (CO-BP2). This suggests that the environmental transformation during exposure time follows the order E2 > E1 > BP2 > BP1 > CO. The disappearance of the signals (-CH, -CH2, and -CH3) in the HSCQ-NMR spectra compared with the crude oil spectrum was conveniently quantified by PCA, and it helps in the characterization of the fate of the oil spills. © 2013 John Wiley & Sons, Ltd. Fil:Rios, S.M. Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales; Argentina. INPR English info:eu-repo/semantics/openAccess http://creativecommons.org/licenses/by/2.5/ar http://hdl.handle.net/20.500.12110/paper_08943230_v_n_p_Rios
institution Universidad de Buenos Aires
institution_str I-28
repository_str R-134
collection Biblioteca Digital - Facultad de Ciencias Exactas y Naturales (UBA)
language English
orig_language_str_mv English
topic Biopiles
Crude oil
HSQC
Natural attenuation
NMR
Oil spill
spellingShingle Biopiles
Crude oil
HSQC
Natural attenuation
NMR
Oil spill
Rios, S.M.
Barquín, M.
Nudelman, N.S.
Characterization of oil complex hydrocarbon mixtures by HSQC-NMR spectroscopy and PCA
topic_facet Biopiles
Crude oil
HSQC
Natural attenuation
NMR
Oil spill
description The degree of changes in complex mixtures from crude oil (CO) and from oil residues in soils was determined by using heteronuclear single quantum coherence-nuclear magnetic resonance (HSQC-NMR) spectroscopy. The HSQC-NMR spectra of crude oil samples and two oil residues with natural attenuation (E1 and E2), and two biopiles (B1 and B2) were recorded using a 500-MHz spectrometer. The spectra could be divided into major regions according to the different types of protons and carbons. Twenty-three regions (A1-A5, B1-B11, C1-C3, D1-D3, and E) were defined on the basis of signal assignments. A multivariate method, the principal component analysis (PCA), was used to search the change in the structural parameters during the environmental exposure time. The first two principal components (PCs) accounted for the 83.3% of the total variance (51.8% and 31.5% for PC1 and PC2, respectively). The euclidean distances (3D) between the samples are 2.80 (CO-E2), 2.37 (CO-E1), 1.62 (CO-BP1), and 1.72 (CO-BP2). This suggests that the environmental transformation during exposure time follows the order E2 > E1 > BP2 > BP1 > CO. The disappearance of the signals (-CH, -CH2, and -CH3) in the HSCQ-NMR spectra compared with the crude oil spectrum was conveniently quantified by PCA, and it helps in the characterization of the fate of the oil spills. © 2013 John Wiley & Sons, Ltd.
format INPR
author Rios, S.M.
Barquín, M.
Nudelman, N.S.
author_facet Rios, S.M.
Barquín, M.
Nudelman, N.S.
author_sort Rios, S.M.
title Characterization of oil complex hydrocarbon mixtures by HSQC-NMR spectroscopy and PCA
title_short Characterization of oil complex hydrocarbon mixtures by HSQC-NMR spectroscopy and PCA
title_full Characterization of oil complex hydrocarbon mixtures by HSQC-NMR spectroscopy and PCA
title_fullStr Characterization of oil complex hydrocarbon mixtures by HSQC-NMR spectroscopy and PCA
title_full_unstemmed Characterization of oil complex hydrocarbon mixtures by HSQC-NMR spectroscopy and PCA
title_sort characterization of oil complex hydrocarbon mixtures by hsqc-nmr spectroscopy and pca
url http://hdl.handle.net/20.500.12110/paper_08943230_v_n_p_Rios
work_keys_str_mv AT riossm characterizationofoilcomplexhydrocarbonmixturesbyhsqcnmrspectroscopyandpca
AT barquinm characterizationofoilcomplexhydrocarbonmixturesbyhsqcnmrspectroscopyandpca
AT nudelmanns characterizationofoilcomplexhydrocarbonmixturesbyhsqcnmrspectroscopyandpca
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