Technical note: Spectral correction for cavity ring-down isotope analysis of plant and soil waters

<p>The development of laser spectroscopic analyzers has revolutionized isotope hydrology, dramatically increasing accessibility and reducing the cost of sample analysis. Despite their substantial benefits, these instruments are known to suffer from spectral interferences caused by small organi...

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Main Authors: G. J. Bowen, S. Banerjee, S. Chakraborty
Format: Article
Language:English
Published: Copernicus Publications 2025-08-01
Series:Hydrology and Earth System Sciences
Online Access:https://hess.copernicus.org/articles/29/3907/2025/hess-29-3907-2025.pdf
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author G. J. Bowen
S. Banerjee
S. Chakraborty
author_facet G. J. Bowen
S. Banerjee
S. Chakraborty
author_sort G. J. Bowen
collection DOAJ
description <p>The development of laser spectroscopic analyzers has revolutionized isotope hydrology, dramatically increasing accessibility and reducing the cost of sample analysis. Despite their substantial benefits, these instruments are known to suffer from spectral interferences caused by small organic molecules that can bias measurements of some samples. Previous research has characterized this problem and tested a range of solutions for eliminating, detecting, or correcting influence in experimental or natural samples, yet interlaboratory comparisons show that affected data are still being reported. Here, we use paired spectroscopic (Picarro L2130-i; CRDS) and isotope ratio mass spectrometer (IRMS) data from a diverse suite of soil and plant xylem water samples to characterize spectral interference effects on CRDS <span class="inline-formula"><i>δ</i><sup>2</sup>H</span> and <span class="inline-formula"><i>δ</i><sup>18</sup>O</span> data. Interference is minimal for soil water but widespread in plant samples, with 13 % and 54 % of samples exhibiting biases larger than 8 ‰ for <span class="inline-formula"><i>δ</i><sup>2</sup>H</span> and 1 ‰ for <span class="inline-formula"><i>δ</i><sup>18</sup>O</span>, respectively. We develop multivariate statistical models that use analyzer-reported spectral features to correct for interference. These models account for 57 % of the observed <span class="inline-formula"><i>δ</i><sup>2</sup>H</span> bias and 99 % of the <span class="inline-formula"><i>δ</i><sup>18</sup>O</span> bias, and after correction the standard deviation of the CRDS <span class="inline-formula">−</span> IRMS differences for plant samples (4.1 ‰ for <span class="inline-formula"><i>δ</i><sup>2</sup>H</span> and 0.4 ‰ for <span class="inline-formula"><i>δ</i><sup>18</sup>O</span>) was similar to that for soil samples. Applying the models to CRDS measurements of water extracted from 1176 plants and 693 soils collected across diverse ecosystems improves the correspondence between plant and source soil water values and shows strong taxonomic differences in the prevalence of spectral interference. Our results show that spectral interference remains a significant concern in ecohydrology, particularly for plant water extracted from many woody species. The success of our spectral correction models across a wide range of taxa and data generated from two different CRDS analyzers suggests that post hoc correction of these data may be a viable solution to the problem.</p>
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spelling doaj-art-6513a94c809d48749cffda94cd12c8fa2025-08-22T05:28:33ZengCopernicus PublicationsHydrology and Earth System Sciences1027-56061607-79382025-08-01293907391510.5194/hess-29-3907-2025Technical note: Spectral correction for cavity ring-down isotope analysis of plant and soil watersG. J. Bowen0S. Banerjee1S. Chakraborty2Department of Geology & Geophysics, University of Utah, Salt Lake City, Utah 84112, USADepartment of Geology & Geophysics, University of Utah, Salt Lake City, Utah 84112, USADepartment of Geology & Geophysics, University of Utah, Salt Lake City, Utah 84112, USA<p>The development of laser spectroscopic analyzers has revolutionized isotope hydrology, dramatically increasing accessibility and reducing the cost of sample analysis. Despite their substantial benefits, these instruments are known to suffer from spectral interferences caused by small organic molecules that can bias measurements of some samples. Previous research has characterized this problem and tested a range of solutions for eliminating, detecting, or correcting influence in experimental or natural samples, yet interlaboratory comparisons show that affected data are still being reported. Here, we use paired spectroscopic (Picarro L2130-i; CRDS) and isotope ratio mass spectrometer (IRMS) data from a diverse suite of soil and plant xylem water samples to characterize spectral interference effects on CRDS <span class="inline-formula"><i>δ</i><sup>2</sup>H</span> and <span class="inline-formula"><i>δ</i><sup>18</sup>O</span> data. Interference is minimal for soil water but widespread in plant samples, with 13 % and 54 % of samples exhibiting biases larger than 8 ‰ for <span class="inline-formula"><i>δ</i><sup>2</sup>H</span> and 1 ‰ for <span class="inline-formula"><i>δ</i><sup>18</sup>O</span>, respectively. We develop multivariate statistical models that use analyzer-reported spectral features to correct for interference. These models account for 57 % of the observed <span class="inline-formula"><i>δ</i><sup>2</sup>H</span> bias and 99 % of the <span class="inline-formula"><i>δ</i><sup>18</sup>O</span> bias, and after correction the standard deviation of the CRDS <span class="inline-formula">−</span> IRMS differences for plant samples (4.1 ‰ for <span class="inline-formula"><i>δ</i><sup>2</sup>H</span> and 0.4 ‰ for <span class="inline-formula"><i>δ</i><sup>18</sup>O</span>) was similar to that for soil samples. Applying the models to CRDS measurements of water extracted from 1176 plants and 693 soils collected across diverse ecosystems improves the correspondence between plant and source soil water values and shows strong taxonomic differences in the prevalence of spectral interference. Our results show that spectral interference remains a significant concern in ecohydrology, particularly for plant water extracted from many woody species. The success of our spectral correction models across a wide range of taxa and data generated from two different CRDS analyzers suggests that post hoc correction of these data may be a viable solution to the problem.</p>https://hess.copernicus.org/articles/29/3907/2025/hess-29-3907-2025.pdf
spellingShingle G. J. Bowen
S. Banerjee
S. Chakraborty
Technical note: Spectral correction for cavity ring-down isotope analysis of plant and soil waters
Hydrology and Earth System Sciences
title Technical note: Spectral correction for cavity ring-down isotope analysis of plant and soil waters
title_full Technical note: Spectral correction for cavity ring-down isotope analysis of plant and soil waters
title_fullStr Technical note: Spectral correction for cavity ring-down isotope analysis of plant and soil waters
title_full_unstemmed Technical note: Spectral correction for cavity ring-down isotope analysis of plant and soil waters
title_short Technical note: Spectral correction for cavity ring-down isotope analysis of plant and soil waters
title_sort technical note spectral correction for cavity ring down isotope analysis of plant and soil waters
url https://hess.copernicus.org/articles/29/3907/2025/hess-29-3907-2025.pdf
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