PMID- 21882858 OWN - NLM STAT- MEDLINE DCOM- 20120206 LR - 20111013 IS - 1520-5851 (Electronic) IS - 0013-936X (Linking) VI - 45 IP - 20 DP - 2011 Oct 15 TI - Universally applicable model for the quantitative determination of lake sediment composition using fourier transform infrared spectroscopy. PG - 8858-65 LID - 10.1021/es200203z [doi] AB - Fourier transform infrared spectroscopy (FTIRS) can provide detailed information on organic and minerogenic constituents of sediment records. Based on a large number of sediment samples of varying age (0-340,000 yrs) and from very diverse lake settings in Antarctica, Argentina, Canada, Macedonia/Albania, Siberia, and Sweden, we have developed universally applicable calibration models for the quantitative determination of biogenic silica (BSi; n = 816), total inorganic carbon (TIC; n = 879), and total organic carbon (TOC; n = 3164) using FTIRS. These models are based on the differential absorbance of infrared radiation at specific wavelengths with varying concentrations of individual parameters, due to molecular vibrations associated with each parameter. The calibration models have low prediction errors and the predicted values are highly correlated with conventionally measured values (R = 0.94-0.99). Robustness tests indicate the accuracy of the newly developed FTIRS calibration models is similar to that of conventional geochemical analyses. Consequently FTIRS offers a useful and rapid alternative to conventional analyses for the quantitative determination of BSi, TIC, and TOC. The rapidity, cost-effectiveness, and small sample size required enables FTIRS determination of geochemical properties to be undertaken at higher resolutions than would otherwise be possible with the same resource allocation, thus providing crucial sedimentological information for climatic and environmental reconstructions. FAU - Rosen, Peter AU - Rosen P AD - Climate Impacts Research Centre (CIRC), Umea University, Abisko, Sweden. peter.rosen@emg.umu.se FAU - Vogel, Hendrik AU - Vogel H FAU - Cunningham, Laura AU - Cunningham L FAU - Hahn, Annette AU - Hahn A FAU - Hausmann, Sonja AU - Hausmann S FAU - Pienitz, Reinhard AU - Pienitz R FAU - Zolitschka, Bernd AU - Zolitschka B FAU - Wagner, Bernd AU - Wagner B FAU - Persson, Per AU - Persson P LA - eng GR - Canadian Institutes of Health Research/Canada PT - Journal Article PT - Research Support, Non-U.S. Gov't DEP - 20110914 PL - United States TA - Environ Sci Technol JT - Environmental science & technology JID - 0213155 SB - IM MH - Environmental Monitoring/*methods MH - Geologic Sediments/*analysis MH - Lakes MH - Spectroscopy, Fourier Transform Infrared/*methods EDAT- 2011/09/03 06:00 MHDA- 2012/02/07 06:00 CRDT- 2011/09/03 06:00 PHST- 2011/09/03 06:00 [entrez] PHST- 2011/09/03 06:00 [pubmed] PHST- 2012/02/07 06:00 [medline] AID - 10.1021/es200203z [doi] PST - ppublish SO - Environ Sci Technol. 2011 Oct 15;45(20):8858-65. doi: 10.1021/es200203z. Epub 2011 Sep 14.