Universität zu Köln

Meyer-Jacob, Carsten ORCID: 0000-0002-8208-496X, Vogel, Hendrik ORCID: 0000-0002-9902-8120, Boxberg, Florian, Rosen, Peter, Weber, Michael E. and Bindler, Richard ORCID: 0000-0002-7900-309X (2014). Independent measurement of biogenic silica in sediments by FTIR spectroscopy and PLS regression. J. Paleolimn., 52 (3). S. 245 - 256. DORDRECHT: SPRINGER. ISSN 1573-0417

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Abstract

We present an independent calibration model for the determination of biogenic silica (BSi) in sediments, developed from analysis of synthetic sediment mixtures and application of Fourier transform infrared spectroscopy (FTIRS) and partial least squares regression (PLSR) modeling. In contrast to current FTIRS applications for quantifying BSi, this new calibration is independent from conventional wet-chemical techniques and their associated measurement uncertainties. This approach also removes the need for developing internal calibrations between the two methods for individual sediments records. For the independent calibration, we produced six series of different synthetic sediment mixtures using two purified diatom extracts, with one extract mixed with quartz sand, calcite, 60/40 quartz/calcite and two different natural sediments, and a second extract mixed with one of the natural sediments. A total of 306 samples-51 samples per series-yielded BSi contents ranging from 0 to 100 %. The resulting PLSR calibration model between the FTIR spectral information and the defined BSi concentration of the synthetic sediment mixtures exhibits a strong cross-validated correlation ( = 0.97) and a low root-mean square error of cross-validation (RMSECV = 4.7 %). Application of the independent calibration to natural lacustrine and marine sediments yields robust BSi reconstructions. At present, the synthetic mixtures do not include the variation in organic matter that occurs in natural samples, which may explain the somewhat lower prediction accuracy of the calibration model for organic-rich samples.

Item Type:	Journal Article
Creators:	Creators Email ORCID ORCID Put Code Meyer-Jacob, Carsten UNSPECIFIED orcid.org/0000-0002-8208-496X UNSPECIFIED Vogel, Hendrik UNSPECIFIED orcid.org/0000-0002-9902-8120 UNSPECIFIED Boxberg, Florian UNSPECIFIED UNSPECIFIED UNSPECIFIED Rosen, Peter UNSPECIFIED UNSPECIFIED UNSPECIFIED Weber, Michael E. UNSPECIFIED UNSPECIFIED UNSPECIFIED Bindler, Richard UNSPECIFIED orcid.org/0000-0002-7900-309X UNSPECIFIED
URN:	urn:nbn:de:hbz:38-428155
DOI:	10.1007/s10933-014-9791-5
Journal or Publication Title:	J. Paleolimn.
Volume:	52
Number:	3
Page Range:	S. 245 - 256
Date:	2014
Publisher:	SPRINGER
Place of Publication:	DORDRECHT
ISSN:	1573-0417
Language:	English
Faculty:	Unspecified
Divisions:	Unspecified
Subjects:	no entry
Uncontrolled Keywords:	Keywords Language LAKE ELGYGYTGYN; CLIMATIC VARIABILITY; OPAL; BIOPRODUCTIVITY; MINERALS; INSIGHT; DIATOMS; RECORD; OCEAN; CYCLE Multiple languages Environmental Sciences; Geosciences, Multidisciplinary; Limnology Multiple languages
URI:	http://kups.ub.uni-koeln.de/id/eprint/42815