The hidden isotope fractionation: How temperature of pyrolysis coupled to compound-specific isotope analysis shapes δ¹³C results

páginas.- 4 figuras.- 22 referencias.-

Detalhes bibliográficos
Autores: San Emeterio, Layla M., Correa López, Gonzalo, Monís-Carrere, Desiré, González-Pérez, José Antonio, Jiménez Morillo, N. T.
Formato: artículo
Estado:Versión aceptada para publicación
Fecha de publicación:2026
País:España
Recursos:Consejo Superior de Investigaciones Científicas (CSIC)
Repositorio:DIGITAL.CSIC. Repositorio Institucional del CSIC
OAI Identifier:oai:digital.csic.es:10261/424987
Acesso em linha:http://hdl.handle.net/10261/424987
Access Level:acceso abierto
Palavra-chave:Analytical pyrolysis
Stable isotope
Isotope fractionation
Carbon isotope
Isotope ratio mass spectrometry
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dc.title.none.fl_str_mv The hidden isotope fractionation: How temperature of pyrolysis coupled to compound-specific isotope analysis shapes δ¹³C results
title The hidden isotope fractionation: How temperature of pyrolysis coupled to compound-specific isotope analysis shapes δ¹³C results
spellingShingle The hidden isotope fractionation: How temperature of pyrolysis coupled to compound-specific isotope analysis shapes δ¹³C results
San Emeterio, Layla M.
Analytical pyrolysis
Stable isotope
Isotope fractionation
Carbon isotope
Isotope ratio mass spectrometry
title_short The hidden isotope fractionation: How temperature of pyrolysis coupled to compound-specific isotope analysis shapes δ¹³C results
title_full The hidden isotope fractionation: How temperature of pyrolysis coupled to compound-specific isotope analysis shapes δ¹³C results
title_fullStr The hidden isotope fractionation: How temperature of pyrolysis coupled to compound-specific isotope analysis shapes δ¹³C results
title_full_unstemmed The hidden isotope fractionation: How temperature of pyrolysis coupled to compound-specific isotope analysis shapes δ¹³C results
title_sort The hidden isotope fractionation: How temperature of pyrolysis coupled to compound-specific isotope analysis shapes δ¹³C results
dc.creator.none.fl_str_mv San Emeterio, Layla M.
Correa López, Gonzalo
Monís-Carrere, Desiré
González-Pérez, José Antonio
Jiménez Morillo, N. T.
author San Emeterio, Layla M.
author_facet San Emeterio, Layla M.
Correa López, Gonzalo
Monís-Carrere, Desiré
González-Pérez, José Antonio
Jiménez Morillo, N. T.
author_role author
author2 Correa López, Gonzalo
Monís-Carrere, Desiré
González-Pérez, José Antonio
Jiménez Morillo, N. T.
author2_role author
author
author
author
dc.contributor.none.fl_str_mv Ministerio de Ciencia e Innovación (España)
Agencia Estatal de Investigación (España)
European Commission
Consejo Superior de Investigaciones Científicas (España)
San Emeterio, Layla M. [0000-0002-0919-1283]
Monís-Carrere, Desiré [0000-0001-5685-1179]
González-Pérez, José Antonio [0000-0001-7607-1444]
Jiménez Morillo, N. T. [0000-0001-5746-1922]
Consejo Superior de Investigaciones Científicas [https://ror.org/02gfc7t72]
dc.subject.none.fl_str_mv Analytical pyrolysis
Stable isotope
Isotope fractionation
Carbon isotope
Isotope ratio mass spectrometry
topic Analytical pyrolysis
Stable isotope
Isotope fractionation
Carbon isotope
Isotope ratio mass spectrometry
description páginas.- 4 figuras.- 22 referencias.-
publishDate 2026
dc.date.none.fl_str_mv 2026
2026
2026
dc.type.none.fl_str_mv info:eu-repo/semantics/article
http://purl.org/coar/resource_type/c_6501
Postprint
info:eu-repo/semantics/acceptedVersion
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status_str acceptedVersion
dc.identifier.none.fl_str_mv http://hdl.handle.net/10261/424987
url http://hdl.handle.net/10261/424987
dc.language.none.fl_str_mv Inglés
language_invalid_str_mv Inglés
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info:eu-repo/grantAgreement/AEI/Plan Estatal de Investigación Científica y Técnica y de Innovación 2017-2020/EQC2019-005772-P
info:eu-repo/grantAgreement/AEI/Plan Estatal de Investigación Científica y Técnica y de Innovación 2017-2020/RyC2021-031253-I
info:eu-repo/grantAgreement/AEI/Plan Estatal de Investigación Científica y Técnica y de Innovación 2021-2023/CNS2023-143750
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http://dx.doi.org/10.1016/j.chroma.2026.466919
Sí
dc.rights.none.fl_str_mv info:eu-repo/semantics/openAccess
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dc.publisher.none.fl_str_mv Elsevier
publisher.none.fl_str_mv Elsevier
dc.source.none.fl_str_mv reponame:DIGITAL.CSIC. Repositorio Institucional del CSIC
instname:Consejo Superior de Investigaciones Científicas (CSIC)
instname_str Consejo Superior de Investigaciones Científicas (CSIC)
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spelling The hidden isotope fractionation: How temperature of pyrolysis coupled to compound-specific isotope analysis shapes δ¹³C resultsSan Emeterio, Layla M.Correa López, GonzaloMonís-Carrere, DesiréGonzález-Pérez, José AntonioJiménez Morillo, N. T.Analytical pyrolysisStable isotopeIsotope fractionationCarbon isotopeIsotope ratio mass spectrometrypáginas.- 4 figuras.- 22 referencias.-Pyrolysis compound-specific isotope analysis (Py-CSIA) is a relatively novel hyphenated technique for which no standard materials have yet been developed. For conventional CSIA (GC-C/IRMS), isotopically characterized standards are routinely used to construct calibration curves and to validate and correct analytical data. In this work, we test the suitability of the C4 CSIA standard (Indiana University, Stable Isotope Laboratory), a mixture of five odd-chain n-alkanes (C17–C25 in decreasing concentration dissolved in hexane), as a reference material for δ13C measurements by Py-CSIA and evaluate the effect of pyrolysis temperature on carbon isotope composition. Aliquots of the C4 standard were deposited onto glass fibre discs in deactivated steel capsules and pyrolysed at five temperatures (250, 300, 400, 500 and 600°C) in a micro-furnace pyrolizer coupled online to a GC-C/IRMS system; an additional direct injection (DI) GC-C/IRMS analysis of C4 was used as the reference. Each condition was analysed in ten replicate runs. Overall, δ¹³C values obtained by Py-CSIA showed excellent agreement with DI measurements, with no significant isotope fractionation observed across the tested temperature range, and coefficients of determination (R2) greater than 0.96 for all temperatures. No statistically significant temperature effect was observed for C19, C21, C23, or C25, whereas C17 was the only compound showing a significant response. A slight visual 13C-enrichment trend was observed at 500°C, although this was not statistically significant, while at 600°C the δ¹³C values converged towards the DI reference values and reproducibility improved. The more negative δ13C values observed at 250°C are more consistently explained by incomplete volatilization and/or incomplete transfer of the heavier n-alkanes than by clear pyrolytic fractionation, although minor thermal transformation effects cannot be fully excluded. These results indicate that the C4 saturated linear n-alkane mixture is suitable as a working standard for Py-CSIA under the analytical conditions tested, and that elevated pyrolysis temperatures, particularly 600°C, provide the most robust balance between isotopic fidelity and reproducibility for this compound class. Further work is needed to determine whether this behaviour also applies to other compound classes and more complex organic matrices.This work was partially supported by the Spanish Ministry of Science and Innovation from the Spanish State Agency (AEI) [project EQC2019-005772-P] and by the FIRE2C project (CNS2023-143750) funded by MCIN/AEI/10.13039/501100011033 and the European Union “NextGenerationEU”/PRTR. The Spanish National Research Council (CSIC) is also acknowledged for the project PIE_20214AT021. N.T.J-M. thanks to the Ramón y Cajal research contracts (RyC2021-031253-I) funded by MCIN/AEI/10.13039/501100011033 and the European Union “NextGenerationEU”/PRTR. L.M.S-E thanks MICIU for the FPI research grant (BES-2017-07968). A.M. Carmona is acknowledged for technical assistance.Peer reviewedElsevierMinisterio de Ciencia e Innovación (España)Agencia Estatal de Investigación (España)European CommissionConsejo Superior de Investigaciones Científicas (España)San Emeterio, Layla M. [0000-0002-0919-1283]Monís-Carrere, Desiré [0000-0001-5685-1179]González-Pérez, José Antonio [0000-0001-7607-1444]Jiménez Morillo, N. T. [0000-0001-5746-1922]Consejo Superior de Investigaciones Científicas [https://ror.org/02gfc7t72]202620262026info:eu-repo/semantics/articlehttp://purl.org/coar/resource_type/c_6501Postprintinfo:eu-repo/semantics/acceptedVersionhttp://hdl.handle.net/10261/424987reponame:DIGITAL.CSIC. Repositorio Institucional del CSICinstname:Consejo Superior de Investigaciones Científicas (CSIC)Inglés#PLACEHOLDER_PARENT_METADATA_VALUE##PLACEHOLDER_PARENT_METADATA_VALUE##PLACEHOLDER_PARENT_METADATA_VALUE##PLACEHOLDER_PARENT_METADATA_VALUE#info:eu-repo/grantAgreement/AEI/Plan Estatal de Investigación Científica y Técnica y de Innovación 2017-2020/EQC2019-005772-Pinfo:eu-repo/grantAgreement/AEI/Plan Estatal de Investigación Científica y Técnica y de Innovación 2017-2020/RyC2021-031253-Iinfo:eu-repo/grantAgreement/AEI/Plan Estatal de Investigación Científica y Técnica y de Innovación 2021-2023/CNS2023-143750info:eu-repo/grantAgreement/AEI/Plan Estatal de Investigación Científica y Técnica y de Innovación 2017-2020/BES-2017-07968http://dx.doi.org/10.1016/j.chroma.2026.466919Síinfo:eu-repo/semantics/openAccessoai:digital.csic.es:10261/4249872026-05-22T06:33:51Z
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