气候变化领域集成服务门户(CCPortal): Exploring water-soluble organic aerosols structures in urban atmosphere using advanced solid-state 13C NMR spectroscopy

CCPortal

DOI	10.1016/j.atmosenv.2020.117503
	Exploring water-soluble organic aerosols structures in urban atmosphere using advanced solid-state 13C NMR spectroscopy
	Duarte R.M.B.O.; Duan P.; Mao J.; Chu W.; Duarte A.C.; Schmidt-Rohr K.
发表日期	2020
ISSN	1352-2310
卷号	230
英文摘要	Water-soluble organic matter (WSOM) in air particles has profound effects on climate and human health. At the heart of this environmental significance of WSOM lies a complex set of compounds, of which a major fraction still often remains undeciphered. Yet, not all environmental problems require delving into the molecular-level identification of WSOM constituents. Understanding the contribution of different functional groups to whole aerosol WSOM composition offers a highly important structural dataset that enables a better representation of WSOM in climate studies. For the first time, advanced solid-state 13C nuclear magnetic resonance (NMR) techniques, including nearly quantitative 13C multiple cross polarization/magic angle spinning (multiCP/MAS), multiCP/MAS with dipolar dephasing, multiCP/MAS with 13C chemical shift anisotropy filter, and two-dimensional 1H–13C heteronuclear correlation (2D HETCOR), are applied to acquire an accurate quantitative structural description of whole aerosol WSOM collected in an urban atmosphere. Two urban aerosol WSOM samples collected in two short periods of time, under different wintry weather conditions, were investigated. NMR data successfully pinpointed the variability of whole aerosol WSOM composition, allowing to suggest source-specific structural characteristics for each sample in two short periods of time. A new structural model of urban aerosol WSOM was build based on this compositional data, showing the presence of three independent classes of compounds that vary both in content and molecular diversity within short periods of time: heteroatom-rich aliphatic (either chain or branched), carbohydrate-like moieties, and highly substituted aromatic units. These findings establish advanced solid-state NMR as a promising tool for probing the chemical structures of inhomogeneous aerosol WSOM in rapidly changing atmospheric conditions, allowing to resolve discrepancies between modeled and measured aerosol WSOM. © 2020 Elsevier Ltd
关键词	Advanced solid-state 13C NMR spectroscopy Quantitative structural diversity Source assignment Structural model Water-soluble organic aerosols
语种	英语
scopus关键词	Aliphatic compounds; Chemical shift; Nuclear magnetic resonance spectroscopy; Chemical shift anisotropy; Cross-polarization/magic angle spinnings; Environmental significance; Heteronuclear correlation; Nuclear magnetic resonance techniques; Structural characteristics; Structural descriptions; Water-soluble organic matter; Aerosols; aliphatic compound; aromatic compound; organic matter; unclassified drug; water soluble organic matter; aerosol; anisotropy; exploration; nuclear magnetic resonance; spectroscopy; urban atmosphere; urban pollution; anisotropy; Article; atmosphere; carbon nuclear magnetic resonance; chemical composition; chemical structure; heteronuclear correlation; heteronuclear nuclear magnetic resonance; investigative procedures; magic angle spinning; measurement accuracy; multiple cross polarization; particulate matter; polarization; priority journal; proton nuclear magnetic resonance; qualitative analysis; quantitative analysis; secondary organic aerosol; structural model; urban area; winter
来源期刊	ATMOSPHERIC ENVIRONMENT
文献类型	期刊论文
条目标识符	http://gcip.llas.ac.cn/handle/2XKMVOVA/249190
作者单位	Department of Chemistry & CESAM, University of Aveiro, Aveiro, 3810-193, Portugal; Department of Chemistry, Brandeis University, 415 South Street, Waltham, MA 02453, United States; Department of Chemistry and Biochemistry, Old Dominion University, 4541 Hampton Blvd, Norfolk, VA 23529, United States
推荐引用方式 GB/T 7714	Duarte R.M.B.O.,Duan P.,Mao J.,et al. Exploring water-soluble organic aerosols structures in urban atmosphere using advanced solid-state 13C NMR spectroscopy[J],2020,230.
APA	Duarte R.M.B.O.,Duan P.,Mao J.,Chu W.,Duarte A.C.,&Schmidt-Rohr K..(2020).Exploring water-soluble organic aerosols structures in urban atmosphere using advanced solid-state 13C NMR spectroscopy.ATMOSPHERIC ENVIRONMENT,230.
MLA	Duarte R.M.B.O.,et al."Exploring water-soluble organic aerosols structures in urban atmosphere using advanced solid-state 13C NMR spectroscopy".ATMOSPHERIC ENVIRONMENT 230(2020).