Optimization of Data Processing Minimizes Impact of Self-Absorption on Phosphorus Speciation Results by P K-Edge XANES
Bulk soil phosphorus speciation by X-ray absorption spectroscopy (XAS) using fluorescence yield-mode measurements is an important tool for phosphorus research because of the low soil P contents. However, when measuring in fluorescence mode, increasing the concentration of the absorbing atom can damp...
| Main Authors: | , , , , , |
|---|---|
| Format: | Article |
| Language: | English |
| Published: |
MDPI AG
2019-09-01
|
| Series: | Soil Systems |
| Subjects: | |
| Online Access: | https://www.mdpi.com/2571-8789/3/3/61 |
| _version_ | 1818048083573866496 |
|---|---|
| author | Luis Carlos Colocho Hurtarte Luiz Francisco Souza-Filho Wedisson Oliveira Santos Leonardus Vergütz Jörg Prietzel Dean Hesterberg |
| author_facet | Luis Carlos Colocho Hurtarte Luiz Francisco Souza-Filho Wedisson Oliveira Santos Leonardus Vergütz Jörg Prietzel Dean Hesterberg |
| author_sort | Luis Carlos Colocho Hurtarte |
| collection | DOAJ |
| description | Bulk soil phosphorus speciation by X-ray absorption spectroscopy (XAS) using fluorescence yield-mode measurements is an important tool for phosphorus research because of the low soil P contents. However, when measuring in fluorescence mode, increasing the concentration of the absorbing atom can dampen the XAS spectral features because of self-absorption and affect the linear combination (LC) fitting results. To reduce the self-absorption for samples of high P contents, thick boron nitride diluted samples are produced, yet the effects of self-absorption on P speciation results via LC fitting of P K-edge XANES spectroscopy, and the possible benefits of data processing optimization are unknown. Toward this end, we produced a series of ternary standard mixtures (calcium-iron-aluminum phosphates) and an example soil sample both diluted using boron nitride over a range from 1 to ~900 mmol kg<sup>−1</sup> for the soil sample and up to ~6000 mmol kg<sup>−1</sup> for the standard mixture. We show that by optimizing background subtraction and normalization values, consistent results with less than 10% error can be obtained for samples with up to 300 mmol kg<sup>−1</sup> P. Our results highlight the applicability of optimized P K-edge XANES fitting across a wide range of concentrations encountered in natural environments. |
| first_indexed | 2024-12-10T10:16:03Z |
| format | Article |
| id | doaj.art-9c6d615446f94ed3894d84f7bd95a86b |
| institution | Directory Open Access Journal |
| issn | 2571-8789 |
| language | English |
| last_indexed | 2024-12-10T10:16:03Z |
| publishDate | 2019-09-01 |
| publisher | MDPI AG |
| record_format | Article |
| series | Soil Systems |
| spelling | doaj.art-9c6d615446f94ed3894d84f7bd95a86b2022-12-22T01:53:00ZengMDPI AGSoil Systems2571-87892019-09-01336110.3390/soilsystems3030061soilsystems3030061Optimization of Data Processing Minimizes Impact of Self-Absorption on Phosphorus Speciation Results by P K-Edge XANESLuis Carlos Colocho Hurtarte0Luiz Francisco Souza-Filho1Wedisson Oliveira Santos2Leonardus Vergütz3Jörg Prietzel4Dean Hesterberg5Lehrstuhl für Bodenkunde, Research Department Ecology and Ecosystem Management, Technische Universität München, Emil-Ramann-Straße 2, 85354 Freising, GermanyCentro Multidisciplinar do Campus de Barra, Universidade Federal do Oeste da Bahia, Barra, BA 47100-000, BrazilInstitute of Agricultural Sciences, Universidade Federal de Uberlândia, Uberlândia, MG 38.400-902, BrazilDepartment of Soil Science, Universidade Federal de Viçosa (UFV), Viçosa, MG 36570-000, BrazilLehrstuhl für Bodenkunde, Research Department Ecology and Ecosystem Management, Technische Universität München, Emil-Ramann-Straße 2, 85354 Freising, GermanyDepartment of Soil Science, North Carolina State University, P.O. Box 7619, Raleigh, NC 27695, USABulk soil phosphorus speciation by X-ray absorption spectroscopy (XAS) using fluorescence yield-mode measurements is an important tool for phosphorus research because of the low soil P contents. However, when measuring in fluorescence mode, increasing the concentration of the absorbing atom can dampen the XAS spectral features because of self-absorption and affect the linear combination (LC) fitting results. To reduce the self-absorption for samples of high P contents, thick boron nitride diluted samples are produced, yet the effects of self-absorption on P speciation results via LC fitting of P K-edge XANES spectroscopy, and the possible benefits of data processing optimization are unknown. Toward this end, we produced a series of ternary standard mixtures (calcium-iron-aluminum phosphates) and an example soil sample both diluted using boron nitride over a range from 1 to ~900 mmol kg<sup>−1</sup> for the soil sample and up to ~6000 mmol kg<sup>−1</sup> for the standard mixture. We show that by optimizing background subtraction and normalization values, consistent results with less than 10% error can be obtained for samples with up to 300 mmol kg<sup>−1</sup> P. Our results highlight the applicability of optimized P K-edge XANES fitting across a wide range of concentrations encountered in natural environments.https://www.mdpi.com/2571-8789/3/3/61phosphateself-absorptionXANESfluorescence |
| spellingShingle | Luis Carlos Colocho Hurtarte Luiz Francisco Souza-Filho Wedisson Oliveira Santos Leonardus Vergütz Jörg Prietzel Dean Hesterberg Optimization of Data Processing Minimizes Impact of Self-Absorption on Phosphorus Speciation Results by P K-Edge XANES Soil Systems phosphate self-absorption XANES fluorescence |
| title | Optimization of Data Processing Minimizes Impact of Self-Absorption on Phosphorus Speciation Results by P K-Edge XANES |
| title_full | Optimization of Data Processing Minimizes Impact of Self-Absorption on Phosphorus Speciation Results by P K-Edge XANES |
| title_fullStr | Optimization of Data Processing Minimizes Impact of Self-Absorption on Phosphorus Speciation Results by P K-Edge XANES |
| title_full_unstemmed | Optimization of Data Processing Minimizes Impact of Self-Absorption on Phosphorus Speciation Results by P K-Edge XANES |
| title_short | Optimization of Data Processing Minimizes Impact of Self-Absorption on Phosphorus Speciation Results by P K-Edge XANES |
| title_sort | optimization of data processing minimizes impact of self absorption on phosphorus speciation results by p k edge xanes |
| topic | phosphate self-absorption XANES fluorescence |
| url | https://www.mdpi.com/2571-8789/3/3/61 |
| work_keys_str_mv | AT luiscarloscolochohurtarte optimizationofdataprocessingminimizesimpactofselfabsorptiononphosphorusspeciationresultsbypkedgexanes AT luizfranciscosouzafilho optimizationofdataprocessingminimizesimpactofselfabsorptiononphosphorusspeciationresultsbypkedgexanes AT wedissonoliveirasantos optimizationofdataprocessingminimizesimpactofselfabsorptiononphosphorusspeciationresultsbypkedgexanes AT leonardusvergutz optimizationofdataprocessingminimizesimpactofselfabsorptiononphosphorusspeciationresultsbypkedgexanes AT jorgprietzel optimizationofdataprocessingminimizesimpactofselfabsorptiononphosphorusspeciationresultsbypkedgexanes AT deanhesterberg optimizationofdataprocessingminimizesimpactofselfabsorptiononphosphorusspeciationresultsbypkedgexanes |