Fast and Inexpensive Detection of Total and Extractable Element Concentrations in Aquatic Sediments Using Near-Infrared Reflectance Spectroscopy (NIRS)

Adequate biogeochemical characterization and monitoring of aquatic ecosystems, both for scientific purposes and for water management, pose high demands on spatial and temporal replication of chemical analyses. Near-infrared reflectance spectroscopy (NIRS) may offer a rapid, low-cost and reproducible...

Verfasser: Kleinebecker, Till
Poelen, Moni D. M.
Smolders, Alfons J. P.
Lamers, Leon Peter Maria
Hölzel, Norbert
Dokumenttypen:Artikel
Medientypen:Text
Erscheinungsdatum:2013
Publikation in MIAMI:17.02.2014
Datum der letzten Änderung:16.04.2019
Angaben zur Ausgabe:[Electronic ed.]
Quelle:PLoS ONE 8 (2013) 7, e70517
Fachgebiet (DDC):550: Geowissenschaften, Geologie
Lizenz:CC BY 3.0
Sprache:English
Anmerkungen:Finanziert durch den Open-Access-Publikationsfonds 2013/2014 der Deutschen Forschungsgemeinschaft (DFG) und der Westfälischen Wilhelms-Universität Münster (WWU Münster).
Format:PDF-Dokument
URN:urn:nbn:de:hbz:6-64319642815
Weitere Identifikatoren:DOI: 10.1371/journal.pone.0070517
Permalink:https://nbn-resolving.de/urn:nbn:de:hbz:6-64319642815
Onlinezugriff:journal.pone.0070517.pdf

Adequate biogeochemical characterization and monitoring of aquatic ecosystems, both for scientific purposes and for water management, pose high demands on spatial and temporal replication of chemical analyses. Near-infrared reflectance spectroscopy (NIRS) may offer a rapid, low-cost and reproducible alternative to standard analytical sample processing (digestion or extraction) and measuring techniques used for the chemical characterization of aquatic sediments. We analyzed a total of 191 sediment samples for total and NaCl-extractable concentrations of Al, Ca, Fe, K, Mg, Mn, N, Na, P, S, Si, and Zn as well as oxalate- extractable concentrations of Al, Fe, Mn and P. Based on the NIR spectral data and the reference values, calibration models for the prediction of element concentrations in unknown samples were developed and tested with an external validation procedure. Except Mn, all prediction models of total element concentrations were found to be acceptable to excellent (ratio of performance deviation: RPD 1.8–3.1). For extractable element fractions, viable model precision could be achieved for NaCl-extractable Ca, K, Mg, NH4+-N, S and Si (RPD 1.7–2.2) and oxalate-extractable Al, Fe and P (RPD 1.9–2.3). For those elements that showed maximum total values below 3 g kg−1 prediction models were found to become increasingly critical (RPD