Extraction of climatic signals from fossil organic compounds in marine sediments up to 11.7Ma old (IODP-U1318)

This study focuses on the extraction of climate signals and processes using a combined approach which includes the analysis of a high number of lipid molecules in marine sediments, and the chemometric analysis of the acquired data. Neutral and acidic fractions of marine sediments from site IODP-U1318 (south-west of the UK, Porcupine Seabight) were quantified by GC-MS. The alkenone unsaturation index, Uk'37, was estimated from the composition of C37 alkenones and it was then used for the estimation of sea surface temperatures (SST) for reference. Principal component analysis (PCA), explained 77.45% of the total data variance, and differentiated neutral fraction GC-MS total ion current (TIC) profiles according to SST values of the different sediment sections. GC-MS TIC chromatograms were correlated to sea surface temperatures (SST) by partial least squares regression (PLSR). The compounds more robustly in line with SST values at each sediment section explained 93% of the SST variance and they were identified using the variable importance in projection (VIP) scores method. The proposed approach enables an objective identification of organic compounds sensitive to SST variability throughout complete chromatographic profiles. As a result of this multivariate unbiased approach, lipid composition of sediments was differentiated between compounds of marine (long chain n-alkanes, long chain n-alkan-1-ols) and terrestrial (short chain n-alkan1-ols, alkenols, cholesterol, squalene) origin, whose concentrations were directly and inversely correlated to SST, respectively. © 2015 Elsevier B.V.

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Bibliographic Details
Main Authors: Farrés, Mireia, Martrat, Belen, De Mol, Ben, Grimalt, Joan O., Tauler, Romà
Other Authors: Ministerio de Economía y Competitividad (España)
Format: artículo biblioteca
Language:English
Published: Elsevier 2015-06-16
Subjects:Chromatographic profiles, Climate marker, Early-middle Miocene, Partial least squares regression, Sea surface temperature, Variable importance in projection,
Online Access:http://hdl.handle.net/10261/134522
http://dx.doi.org/10.13039/501100003329
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spelling dig-icm-es-10261-1345222020-07-03T12:19:39Z Extraction of climatic signals from fossil organic compounds in marine sediments up to 11.7Ma old (IODP-U1318) Farrés, Mireia Martrat, Belen De Mol, Ben Grimalt, Joan O. Tauler, Romà Ministerio de Economía y Competitividad (España) Chromatographic profiles Climate marker Early-middle Miocene Partial least squares regression Sea surface temperature Variable importance in projection This study focuses on the extraction of climate signals and processes using a combined approach which includes the analysis of a high number of lipid molecules in marine sediments, and the chemometric analysis of the acquired data. Neutral and acidic fractions of marine sediments from site IODP-U1318 (south-west of the UK, Porcupine Seabight) were quantified by GC-MS. The alkenone unsaturation index, Uk'37, was estimated from the composition of C37 alkenones and it was then used for the estimation of sea surface temperatures (SST) for reference. Principal component analysis (PCA), explained 77.45% of the total data variance, and differentiated neutral fraction GC-MS total ion current (TIC) profiles according to SST values of the different sediment sections. GC-MS TIC chromatograms were correlated to sea surface temperatures (SST) by partial least squares regression (PLSR). The compounds more robustly in line with SST values at each sediment section explained 93% of the SST variance and they were identified using the variable importance in projection (VIP) scores method. The proposed approach enables an objective identification of organic compounds sensitive to SST variability throughout complete chromatographic profiles. As a result of this multivariate unbiased approach, lipid composition of sediments was differentiated between compounds of marine (long chain n-alkanes, long chain n-alkan-1-ols) and terrestrial (short chain n-alkan1-ols, alkenols, cholesterol, squalene) origin, whose concentrations were directly and inversely correlated to SST, respectively. © 2015 Elsevier B.V. Special thanks go to the program CONSOLIDER-INGENIO 2010 (GRACCIE, CSD2007-00067) and to Ministerio de Economía y Competitividad, Spain, for a grant to the research project CTQ2012-38616-C02-01. B. M. thanks the CSIC-Ramón y Cajal post-doctoral program RYC-2013-14073. Peer reviewed 2016-07-06T11:36:12Z 2016-07-06T11:36:12Z 2015-06-16 artículo http://purl.org/coar/resource_type/c_6501 Analytica Chimica Acta 879: 1-9(2015) http://hdl.handle.net/10261/134522 10.1016/j.aca.2015.04.051 http://dx.doi.org/10.13039/501100003329 en Postprint http://dx.doi.org/10.1016/j.aca.2015.04.051 Sí open Elsevier
institution ICM ES
collection DSpace
country España
countrycode ES
component Bibliográfico
access En linea
databasecode dig-icm-es
tag biblioteca
region Europa del Sur
libraryname Biblioteca del ICM España
language English
topic Chromatographic profiles
Climate marker
Early-middle Miocene
Partial least squares regression
Sea surface temperature
Variable importance in projection
Chromatographic profiles
Climate marker
Early-middle Miocene
Partial least squares regression
Sea surface temperature
Variable importance in projection
spellingShingle Chromatographic profiles
Climate marker
Early-middle Miocene
Partial least squares regression
Sea surface temperature
Variable importance in projection
Chromatographic profiles
Climate marker
Early-middle Miocene
Partial least squares regression
Sea surface temperature
Variable importance in projection
Farrés, Mireia
Martrat, Belen
De Mol, Ben
Grimalt, Joan O.
Tauler, Romà
Extraction of climatic signals from fossil organic compounds in marine sediments up to 11.7Ma old (IODP-U1318)
description This study focuses on the extraction of climate signals and processes using a combined approach which includes the analysis of a high number of lipid molecules in marine sediments, and the chemometric analysis of the acquired data. Neutral and acidic fractions of marine sediments from site IODP-U1318 (south-west of the UK, Porcupine Seabight) were quantified by GC-MS. The alkenone unsaturation index, Uk'37, was estimated from the composition of C37 alkenones and it was then used for the estimation of sea surface temperatures (SST) for reference. Principal component analysis (PCA), explained 77.45% of the total data variance, and differentiated neutral fraction GC-MS total ion current (TIC) profiles according to SST values of the different sediment sections. GC-MS TIC chromatograms were correlated to sea surface temperatures (SST) by partial least squares regression (PLSR). The compounds more robustly in line with SST values at each sediment section explained 93% of the SST variance and they were identified using the variable importance in projection (VIP) scores method. The proposed approach enables an objective identification of organic compounds sensitive to SST variability throughout complete chromatographic profiles. As a result of this multivariate unbiased approach, lipid composition of sediments was differentiated between compounds of marine (long chain n-alkanes, long chain n-alkan-1-ols) and terrestrial (short chain n-alkan1-ols, alkenols, cholesterol, squalene) origin, whose concentrations were directly and inversely correlated to SST, respectively. © 2015 Elsevier B.V.
author2 Ministerio de Economía y Competitividad (España)
author_facet Ministerio de Economía y Competitividad (España)
Farrés, Mireia
Martrat, Belen
De Mol, Ben
Grimalt, Joan O.
Tauler, Romà
format artículo
topic_facet Chromatographic profiles
Climate marker
Early-middle Miocene
Partial least squares regression
Sea surface temperature
Variable importance in projection
author Farrés, Mireia
Martrat, Belen
De Mol, Ben
Grimalt, Joan O.
Tauler, Romà
author_sort Farrés, Mireia
title Extraction of climatic signals from fossil organic compounds in marine sediments up to 11.7Ma old (IODP-U1318)
title_short Extraction of climatic signals from fossil organic compounds in marine sediments up to 11.7Ma old (IODP-U1318)
title_full Extraction of climatic signals from fossil organic compounds in marine sediments up to 11.7Ma old (IODP-U1318)
title_fullStr Extraction of climatic signals from fossil organic compounds in marine sediments up to 11.7Ma old (IODP-U1318)
title_full_unstemmed Extraction of climatic signals from fossil organic compounds in marine sediments up to 11.7Ma old (IODP-U1318)
title_sort extraction of climatic signals from fossil organic compounds in marine sediments up to 11.7ma old (iodp-u1318)
publisher Elsevier
publishDate 2015-06-16
url http://hdl.handle.net/10261/134522
http://dx.doi.org/10.13039/501100003329
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