Sulphur oxidation states in atmospheric particulate matter studied by XANES : a comparative study from Europe, Asia, and North America

2026
journal article
article
dc.abstract.enUnderstanding the oxidation state of sulphur in fine atmospheric particulate matter (PM2.5) is essential for constraining secondary aerosol formation, climate forcing, and health impacts. This study utilises comparison of sulphur K-edge X-ray absorption near-edge structure spectra, combined with linear combination fitting of reference spectra, to characterise sulphur speciation in PM2.5 from Kraków (Poland), Qingdao (China), and Atlanta (USA). Across all regions, sulphate species S(+6) dominate, confirming their role as the principal end product of atmospheric sulphur oxidation, but the distribution of intermediate and reduced sulphur forms varies systematically with emission sources and meteorological conditions. In Kraków, wintertime PM2.5 is richer in ammonium bisulphates relative to summer, consistent with enhanced solid-fuel combustion and more acidic aerosol conditions. In Qingdao, coarse particles contain detectable S(+4) species associated with gypsum and calcium sulphite, linked to interactions between anthropogenic sulphur and mineral dust, whereas fine particles are dominated by ammonium sulphate. In the Atlanta region, ammonium sulphate is prevalent at all sites, with additional contributions from gypsum and metal-containing sulphates that vary between urban, rural, and background locations. Based on literature data employing a consistent spectroscopic methodology for a specific region across three contrasting environments, this study identifies region-specific sulphur speciation  fingerprints  and  demonstrates  the capability of X-ray absorption near-edge structure to link emission inventories, atmospheric transformation processes, and policy-relevant indicators of aerosol composition.
dc.affiliationPion Prorektora ds. nauki : Narodowe Centrum Promieniowania Synchrotronowego SOLARIS
dc.contributor.authorGrzywa, P.
dc.contributor.authorMaximenko, Alexey - 427248
dc.contributor.authorSamek, L.
dc.date.accessioned2026-08-05T11:27:26Z
dc.date.available2026-08-05T11:27:26Z
dc.date.createdat2026-08-05T07:39:18Zen
dc.date.issued2026
dc.date.openaccess0
dc.description.accesstimew momencie opublikowania
dc.description.number5
dc.description.physical193-197
dc.description.versionostateczna wersja wydawcy
dc.description.volume149
dc.identifier.doi10.12693/APhysPolA.149.S193
dc.identifier.issn0587-4246
dc.identifier.projectDRC AI
dc.identifier.projectASTRA
dc.identifier.urihttps://ruj.uj.edu.pl/handle/item/580583
dc.languageeng
dc.language.containereng
dc.rightsUdzielam licencji. Uznanie autorstwa 4.0 Międzynarodowa
dc.rights.licenceCC-BY
dc.rights.urihttp://creativecommons.org/licenses/by/4.0/legalcode.pl
dc.share.typeotwarte czasopismo
dc.source.integratorfalse
dc.subject.enurban air pollution
dc.subject.enPM2.5
dc.subject.enX-ray absorption near-edge structure (XANES) analysis
dc.subject.ensulphur speciation
dc.subtypeArticle
dc.titleSulphur oxidation states in atmospheric particulate matter studied by XANES : a comparative study from Europe, Asia, and North America
dc.title.journalActa Physica Polonica A
dc.typeJournalArticle
dspace.entity.typePublicationen
dc.abstract.en
Understanding the oxidation state of sulphur in fine atmospheric particulate matter (PM2.5) is essential for constraining secondary aerosol formation, climate forcing, and health impacts. This study utilises comparison of sulphur K-edge X-ray absorption near-edge structure spectra, combined with linear combination fitting of reference spectra, to characterise sulphur speciation in PM2.5 from Kraków (Poland), Qingdao (China), and Atlanta (USA). Across all regions, sulphate species S(+6) dominate, confirming their role as the principal end product of atmospheric sulphur oxidation, but the distribution of intermediate and reduced sulphur forms varies systematically with emission sources and meteorological conditions. In Kraków, wintertime PM2.5 is richer in ammonium bisulphates relative to summer, consistent with enhanced solid-fuel combustion and more acidic aerosol conditions. In Qingdao, coarse particles contain detectable S(+4) species associated with gypsum and calcium sulphite, linked to interactions between anthropogenic sulphur and mineral dust, whereas fine particles are dominated by ammonium sulphate. In the Atlanta region, ammonium sulphate is prevalent at all sites, with additional contributions from gypsum and metal-containing sulphates that vary between urban, rural, and background locations. Based on literature data employing a consistent spectroscopic methodology for a specific region across three contrasting environments, this study identifies region-specific sulphur speciation  fingerprints  and  demonstrates  the capability of X-ray absorption near-edge structure to link emission inventories, atmospheric transformation processes, and policy-relevant indicators of aerosol composition.
dc.affiliation
Pion Prorektora ds. nauki : Narodowe Centrum Promieniowania Synchrotronowego SOLARIS
dc.contributor.author
Grzywa, P.
dc.contributor.author
Maximenko, Alexey - 427248
dc.contributor.author
Samek, L.
dc.date.accessioned
2026-08-05T11:27:26Z
dc.date.available
2026-08-05T11:27:26Z
dc.date.createdaten
2026-08-05T07:39:18Z
dc.date.issued
2026
dc.date.openaccess
0
dc.description.accesstime
w momencie opublikowania
dc.description.number
5
dc.description.physical
193-197
dc.description.version
ostateczna wersja wydawcy
dc.description.volume
149
dc.identifier.doi
10.12693/APhysPolA.149.S193
dc.identifier.issn
0587-4246
dc.identifier.project
DRC AI
dc.identifier.project
ASTRA
dc.identifier.uri
https://ruj.uj.edu.pl/handle/item/580583
dc.language
eng
dc.language.container
eng
dc.rights
Udzielam licencji. Uznanie autorstwa 4.0 Międzynarodowa
dc.rights.licence
CC-BY
dc.rights.uri
http://creativecommons.org/licenses/by/4.0/legalcode.pl
dc.share.type
otwarte czasopismo
dc.source.integrator
false
dc.subject.en
urban air pollution
dc.subject.en
PM2.5
dc.subject.en
X-ray absorption near-edge structure (XANES) analysis
dc.subject.en
sulphur speciation
dc.subtype
Article
dc.title
Sulphur oxidation states in atmospheric particulate matter studied by XANES : a comparative study from Europe, Asia, and North America
dc.title.journal
Acta Physica Polonica A
dc.type
JournalArticle
dspace.entity.typeen
Publication
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