title: Extraction of climatic signals from fossil organic compounds in marine sediments up to 11.7 Ma old (IODP-U1318).
abstract: 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, U(k')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.
authors.affiliation: Department of Environmental Chemistry, Institute of Environmental Assessment and Water Research (IDAEA-CSIC), Jordi Girona 18, E-08034 Barcelona, Spain.
authors.forename: Mireia
authors.initials: M
authors.lastname: Farrés
authors.affiliation: Department of Environmental Chemistry, Institute of Environmental Assessment and Water Research (IDAEA-CSIC), Jordi Girona 18, E-08034 Barcelona, Spain.
authors.forename: Belen
authors.initials: B
authors.lastname: Martrat
authors.affiliation: Barcelona Center for Subsurface Imaging (Barcelona-CSI-CSIC), Passeig Marítim de la Barceloneta 37, E-08003 Barcelona, Spain.
authors.forename: Ben
authors.initials: B
authors.lastname: de Mol
authors.affiliation: Department of Environmental Chemistry, Institute of Environmental Assessment and Water Research (IDAEA-CSIC), Jordi Girona 18, E-08034 Barcelona, Spain.
authors.forename: Joan O
authors.initials: JO
authors.lastname: Grimalt
authors.affiliation: Department of Environmental Chemistry, Institute of Environmental Assessment and Water Research (IDAEA-CSIC), Jordi Girona 18, E-08034 Barcelona, Spain. Electronic address: roma.tauler@idaea.csic.es.
authors.forename: Romà
authors.initials: R
authors.lastname: Tauler
keywords: Chromatographic profiles; Climate marker; Early-middle Miocene; Partial least squares regression; Sea surface temperature; Variable importance in projection