Midinfrared spectroscopy and chemometrics to predict diuron sorption coefficients in soils.

Midinfrared spectroscopy and chemometrics to predict diuron sorption coefficients in soils. Research Abstract Details 

Research Abstract Table of Contents

Jump to the:

Midinfrared spectroscopy and chemometrics to predict diuron sorption coefficients in soils. Abstract Text:

The potential of mid-infrared (MIR) spectroscopy in combination with partial least-squares (PLS) regression was investigated to predict the soil sorption (distribution) coefficient (K(d)) of a nonionic pesticide (diuron). A calibration set of 101 surface soils collected from South Australia was utilized for reference sorption data and MIR spectra. Principal component analysis (PCA) was performed on the spectra to detect spectral outliers. The MIR-PLS model was developed and validated by dividing the initial data set into four validation sets. The model resulted in a coefficient of determination (R2) of 0.69, a standard error (SE) of 5.57, and a residual predictive deviation (RPD) of 1.63. The normalized sorption coefficient for the organic compound (K(oc)) approach, on the other hand, resulted in R2, SE, and RPD values of 0.42, 7.26, and 1.25, respectively. However, the significant statistical difference between the two models was mainly due to two outliers detected via PCA. Apart from spectral outliers, the performance of the two models was essentially similar for the rest of the calibration set. Outlier detection by the MIR-PLS model may gainfully be employed as a tool for improving prediction of K(d). The MIR-based model can provide a direct estimation of K(d) values based on the integrated properties of organic and mineral matter reflected in the infrared spectra.

Midinfrared spectroscopy and chemometrics to predict diuron sorption coefficients in soils. Publishing Authors By Initials

For similar abstracts research abstracts see: abstracts research

PUBMED ID PMID:

MEDLINE DATE:

Midinfrared spectroscopy and chemometrics to predict diuron sorption coefficients in soils. Journal Published:

PUBLICATION TYPE: Journal Article

Journal: Environmental science & technology

VOLUME: 42

Page Numbers: 3283-8

Journal Abbreviation: Environ. Sci. Technol.

ISSN: 0013-936X

DAY: 1

MONTH: May

YEAR: 2008

Midinfrared spectroscopy and chemometrics to predict diuron sorption coefficients in soils. Information

Number of References:

LANGUAGE: eng

NlmUniqueID: 213155

Midinfrared spectroscopy and chemometrics to predict diuron sorption coefficients in soils. Keywords Mesh Terms:

KEYWORDS:

MESH TERMS:

Chemical & Substance for Abstract: Midinfrared spectroscopy and chemometrics to predict diuron sorption coefficients in soils. Information

Substance Name:

Registry Number:

Grant and Affiliation Information for Midinfrared spectroscopy and chemometrics to predict diuron sorption coefficients in soils.

AFFILIATION: School of Earth and Environmental Sciences, University of Adelaide, PMB 1, Glen Osmond 5064, Australia.

Country: United States

AGENCY:

GRANT:

ACRONYM:

MEDLINETA: Environ Sci Technol

REFSOURCE:

DATABASENAME:

ACCESSION NUMBER:

Number Hits: 0

Midinfrared spectroscopy and chemometrics to predict diuron sorption coefficients in soils Related Publications

• Clear effects of soil organic matter chemistry, as determined by NMR spectroscopy, on the sorption of diuron.
• Midinfrared spectroscopy and chemometrics to predict diuron sorption coefficients in soils.
• Phosphorus release from phosphate rock and iron phosphate by low-molecular-weight organic acids.
• Separating the effects of organic matter-mineral interactions and organic matter chemistry on the sorption of diuron and phenanthrene.