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X-ray fluorescence spectroscopy (XRF) for metallome analysis of herbarium specimens

BACKGROUND: “Herbarium X-ray Fluorescence (XRF) Ionomics” is a new quantitative approach for extracting the elemental concentrations from herbarium specimens using handheld XRF devices. These instruments are principally designed for dense sample material of infinite thickness (such as rock or soil p...

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Autores principales: Purwadi, Imam, Casey, Lachlan W., Ryan, Chris G., Erskine, Peter D., van der Ent, Antony
Formato: Online Artículo Texto
Lenguaje:English
Publicado: BioMed Central 2022
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9761992/
https://www.ncbi.nlm.nih.gov/pubmed/36536435
http://dx.doi.org/10.1186/s13007-022-00958-z
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author Purwadi, Imam
Casey, Lachlan W.
Ryan, Chris G.
Erskine, Peter D.
van der Ent, Antony
author_facet Purwadi, Imam
Casey, Lachlan W.
Ryan, Chris G.
Erskine, Peter D.
van der Ent, Antony
author_sort Purwadi, Imam
collection PubMed
description BACKGROUND: “Herbarium X-ray Fluorescence (XRF) Ionomics” is a new quantitative approach for extracting the elemental concentrations from herbarium specimens using handheld XRF devices. These instruments are principally designed for dense sample material of infinite thickness (such as rock or soil powder), and their built-in algorithms and factory calibrations perform poorly on the thin dry plant leaves encountered in herbaria. While empirical calibrations have been used for ‘correcting’ measured XRF values post hoc, this approach has major shortcomings. As such, a universal independent data analysis pipeline permitting full control and transparency throughout the quantification process is highly desirable. Here we have developed such a pipeline based on Dynamic Analysis as implemented in the GeoPIXE package, employing a Fundamental Parameters approach requiring only a description of the measurement hardware and derivation of the sample areal density, based on a universal standard. RESULTS: The new pipeline was tested on potassium, calcium, manganese, iron, cobalt, nickel, and zinc concentrations in dry plant leaves. The Dynamic Analysis method can correct for complex X-ray interactions and performs better than both the built-in instrument algorithms and the empirical calibration approach. The new pipeline is also able to identify and quantify elements that are not detected and reported by the device built-in algorithms and provides good estimates of elemental concentrations where empirical calibrations are not straightforward. CONCLUSIONS: The new pipeline for processing XRF data of herbarium specimens has a greater accuracy and is more robust than the device built-in algorithms and empirical calibrations. It also gives access to all elements detected in the XRF spectrum. The new analysis pipeline has made Herbarium XRF approach even more powerful to study the metallome of existing plant collections. SUPPLEMENTARY INFORMATION: The online version contains supplementary material available at 10.1186/s13007-022-00958-z.
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spelling pubmed-97619922022-12-20 X-ray fluorescence spectroscopy (XRF) for metallome analysis of herbarium specimens Purwadi, Imam Casey, Lachlan W. Ryan, Chris G. Erskine, Peter D. van der Ent, Antony Plant Methods Methodology BACKGROUND: “Herbarium X-ray Fluorescence (XRF) Ionomics” is a new quantitative approach for extracting the elemental concentrations from herbarium specimens using handheld XRF devices. These instruments are principally designed for dense sample material of infinite thickness (such as rock or soil powder), and their built-in algorithms and factory calibrations perform poorly on the thin dry plant leaves encountered in herbaria. While empirical calibrations have been used for ‘correcting’ measured XRF values post hoc, this approach has major shortcomings. As such, a universal independent data analysis pipeline permitting full control and transparency throughout the quantification process is highly desirable. Here we have developed such a pipeline based on Dynamic Analysis as implemented in the GeoPIXE package, employing a Fundamental Parameters approach requiring only a description of the measurement hardware and derivation of the sample areal density, based on a universal standard. RESULTS: The new pipeline was tested on potassium, calcium, manganese, iron, cobalt, nickel, and zinc concentrations in dry plant leaves. The Dynamic Analysis method can correct for complex X-ray interactions and performs better than both the built-in instrument algorithms and the empirical calibration approach. The new pipeline is also able to identify and quantify elements that are not detected and reported by the device built-in algorithms and provides good estimates of elemental concentrations where empirical calibrations are not straightforward. CONCLUSIONS: The new pipeline for processing XRF data of herbarium specimens has a greater accuracy and is more robust than the device built-in algorithms and empirical calibrations. It also gives access to all elements detected in the XRF spectrum. The new analysis pipeline has made Herbarium XRF approach even more powerful to study the metallome of existing plant collections. SUPPLEMENTARY INFORMATION: The online version contains supplementary material available at 10.1186/s13007-022-00958-z. BioMed Central 2022-12-19 /pmc/articles/PMC9761992/ /pubmed/36536435 http://dx.doi.org/10.1186/s13007-022-00958-z Text en © The Author(s) 2022 https://creativecommons.org/licenses/by/4.0/Open AccessThis article is licensed under a Creative Commons Attribution 4.0 International License, which permits use, sharing, adaptation, distribution and reproduction in any medium or format, as long as you give appropriate credit to the original author(s) and the source, provide a link to the Creative Commons licence, and indicate if changes were made. The images or other third party material in this article are included in the article's Creative Commons licence, unless indicated otherwise in a credit line to the material. If material is not included in the article's Creative Commons licence and your intended use is not permitted by statutory regulation or exceeds the permitted use, you will need to obtain permission directly from the copyright holder. To view a copy of this licence, visit http://creativecommons.org/licenses/by/4.0/ (https://creativecommons.org/licenses/by/4.0/) . The Creative Commons Public Domain Dedication waiver (http://creativecommons.org/publicdomain/zero/1.0/ (https://creativecommons.org/publicdomain/zero/1.0/) ) applies to the data made available in this article, unless otherwise stated in a credit line to the data.
spellingShingle Methodology
Purwadi, Imam
Casey, Lachlan W.
Ryan, Chris G.
Erskine, Peter D.
van der Ent, Antony
X-ray fluorescence spectroscopy (XRF) for metallome analysis of herbarium specimens
title X-ray fluorescence spectroscopy (XRF) for metallome analysis of herbarium specimens
title_full X-ray fluorescence spectroscopy (XRF) for metallome analysis of herbarium specimens
title_fullStr X-ray fluorescence spectroscopy (XRF) for metallome analysis of herbarium specimens
title_full_unstemmed X-ray fluorescence spectroscopy (XRF) for metallome analysis of herbarium specimens
title_short X-ray fluorescence spectroscopy (XRF) for metallome analysis of herbarium specimens
title_sort x-ray fluorescence spectroscopy (xrf) for metallome analysis of herbarium specimens
topic Methodology
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9761992/
https://www.ncbi.nlm.nih.gov/pubmed/36536435
http://dx.doi.org/10.1186/s13007-022-00958-z
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