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A Moron

AJP Smolders

ALFM Houdijk

Alfons J. P. Smolders

Andrea Motta

BH Shomar

CW Chang

D Brunet

D Cozzolino

DF Malley

DH Clark

DT van der Molen

E Lucassen

GE Ritchie

HBM Tomassen

J Eggleton

J Santos-Echeandía

JB Reeves

JJM Geurts

Leon P. M. Lamers

LK Sørensen

LPM Lamers

M Chodak

M Fuentes

MB Arain

ME McClain

Moni D. M. Poelen

Norbert Hölzel

P Kelderman

PH Fidencio

R Prego

R Zornoza

RAV Rossel

T Kleinebecker

T Terhoeven-Urselmans

Till Kleinebecker

U Schwertmann

V Bellon-Maurel

V Klaus

W Saeys

WJ Foley

PubMed

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 <2.0). Low concentrations also limited the performance of NIRS calibrations for extracted elements, with critical concentration thresholds <0.1 g kg−1 and 3.3 g kg−1 for NaCl and oxalate extractions, respectively. Thus, reliable NIRS measurements of trace metals are restricted to sediments with high metal content. Nevertheless, we demonstrated the suitability of NIRS measurements to determine a large array of chemical properties of aquatic sediments. The results indicate great potential of this fast technique as an analytical tool to better understand the large spatial and temporal variation of sediment characteristics in an economically viable way

Kleinebecker, T. (Till)

Poelen, M.D.M. (Moni)

Smolders, A.J.P. (Alfons)

Lamers, L.P.M. (Leon)

Hölzel, N. (Norbert)

miami Publication server of the University of Münster

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

Kleinebecker, T.

Poelen, M.D.M.

Smolders, A.J.P.

Lamers, L.P.M.

Holzel, N.

Radboud Repository

Crossref

PLoS ONE

NARCIS 

Kleinebecker Till

Poelen Moni D. M.

Smolders Alfons J. P.

Lamers Leon P. M.

Hölzel Norbert

Public Library of Science (PLOS)

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 <2.0). Low concentrations also limited the performance of NIRS calibrations for extracted elements, with critical concentration thresholds <0.1 g kg(-1) and 3.3 g kg(-1) for NaCl and oxalate extractions, respectively. Thus, reliable NIRS measurements of trace metals are restricted to sediments with high metal content. Nevertheless, we demonstrated the suitability of NIRS measurements to determine a large array of chemical properties of aquatic sediments. The results indicate great potential of this fast technique as an analytical tool to better understand the large spatial and temporal variation of sediment characteristics in an economically viable way

Moni D M Poelen

Alfons J P Smolders

Leon P M Lamers

Directory of Open Access Journals

Fast and inexpensive detection of total and extractable element concentrations in aquatic sediments using near-infrared reflectance spectroscopy (NIRS).

Münstersches Informations und Archivsystem für Multimediale Inhalte

<div>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 <2.0). Low concentrations also limited the performance of NIRS calibrations for extracted elements, with critical concentration thresholds <0.1 g kg−1 and 3.3 g kg−1 for NaCl and oxalate extractions, respectively. Thus, reliable NIRS measurements of trace metals are restricted to sediments with high metal content. Nevertheless, we demonstrated the suitability of NIRS measurements to determine a large array of chemical properties of aquatic sediments. The results indicate great potential of this fast technique as an analytical tool to better understand the large spatial and temporal variation of sediment characteristics in an economically viable way.</div

Till Kleinebecker (111952)

Moni D. M. Poelen (439241)

Alfons J. P. Smolders (118507)

Leon P. M. Lamers (118509)

Norbert Hölzel (111959)

The Francis Crick Institute

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

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

Abstract

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miami Publication server of the University of Münster

Radboud Repository

Crossref

NARCIS

Public Library of Science (PLOS)

Public Library of Science (PLOS)

Directory of Open Access Journals

Münstersches Informations und Archivsystem für Multimediale Inhalte

The Francis Crick Institute