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Nuclear Magnetic Resonance Aerosolomics: A Tool for Analysis of Polar Compounds in Atmospheric Aerosols.
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SYSNO ASEP 0534295 Document Type J - Journal Article R&D Document Type Journal Article Subsidiary J Článek ve WOS Title Nuclear Magnetic Resonance Aerosolomics: A Tool for Analysis of Polar Compounds in Atmospheric Aerosols. Author(s) Horník, Štěpán (UCHP-M) ORCID, RID, SAI
Sýkora, Jan (UCHP-M) RID, ORCID, SAI
Schwarz, Jaroslav (UCHP-M) RID, ORCID, SAI
Ždímal, Vladimír (UCHP-M) RID, ORCID, SAISource Title ACS Omega. - : American Chemical Society - ISSN 2470-1343
Roč. 5, č. 36 (2020), s. 22750-22758Number of pages 9 s. Language eng - English Country US - United States Keywords secondry organic aerosol ; chemical-composition ; dicarboxylic-acids Subject RIV DI - Air Pollution ; Quality OECD category Environmental sciences (social aspects to be 5.7) R&D Projects TK02010035 GA TA ČR - Technology Agency of the Czech Republic (TA ČR) EF16_013/0001315 GA MŠMT - Ministry of Education, Youth and Sports (MEYS) Method of publishing Open access Institutional support UCHP-M - RVO:67985858 UT WOS 000572832600008 EID SCOPUS 85091950162 DOI 10.1021/acsomega.0c01634 Annotation Nuclear magnetic resonance aerosolomics was proposed as a new approach to the analysis of the water-soluble organic compound fraction in aerosol particulate matter. The identification of individual compounds is based on a comparison of precise chemical shifts in the H-1 NMR spectrum with the signals in the standards library. For this purpose, Chenomx metabolomics software and a comprehensive spectra library of 150 compounds known from chemistry of aerosols were used. This approach enabled the identification of 60 compounds in real aerosol samples collected at a suburban site in Prague. Using the metabolomic spectra library, three new compounds were identified in aerosols for the first time, and an association of four other compounds to the atmospheric particulate matter was confirmed. The obtained concentration profiles of all identified chemical individuals were subsequently subjected to advanced statistical analysis. NMR aerosolomics clearly differentiates between summer and winter aerosol samples via multivariate statistical analysis and revealed some interesting trends in composition, according to aerosol particle size. Furthermore, the univariate statistical analysis was applied to highlight compounds responsible for the group separation, and possible sources of these compounds were suggested. Workplace Institute of Chemical Process Fundamentals Contact Eva Jirsová, jirsova@icpf.cas.cz, Tel.: 220 390 227 Year of Publishing 2021 Electronic address https://pubs.acs.org/doi/pdf/10.1021/acsomega.0c01634
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