The maximum carbonyl ratio (MCR) as a new index for the structural classification of secondary organic aerosol components

doi:10.1002/rcm.9113

IEECAS OpenIR > 粉尘与环境研究室

	The maximum carbonyl ratio (MCR) as a new index for the structural classification of secondary organic aerosol components
	Zhang, Yun 1; Wang, Kai 2; Tong, Haijie 3; Huang, Ru-Jin 4; Hoffmann, Thorsten 1
通讯作者	Hoffmann, Thorsten(t.hoffmann@uni-mainz.de)
	2021-07-31
发表期刊	RAPID COMMUNICATIONS IN MASS SPECTROMETRY
ISSN	0951-4198
卷号	35 期号:14 页码:11
摘要	Rationale Organic aerosols (OA) account for a large fraction of atmospheric fine particulate matter and thus are affecting climate and public health. Elucidation of the chemical composition of OA is the key for addressing the role of ambient fine particles at the atmosphere-biosphere interface and mass spectrometry is the main method to achieve this goal. Methods High-resolution mass spectrometry (HRMS) is on its way to becoming one of the most prominent analytical techniques, also for the analysis of atmospheric aerosols. The combination of high mass resolution and accurate mass determination allows the elemental compositions of numerous compounds to be easily elucidated. Here a new parameter for the improved classification of OA is introduced - the maximum carbonyl ratio (MCR) - which is directly derived from the molecular composition and is particularly suitable for the identification and characterization of secondary organic aerosols (SOA). Results The concept is exemplified by the analysis of ambient OA samples from two measurement sites (Hyytiala, Finland; Beijing, China) and of laboratory-generated SOA based on ultrahigh-performance liquid chromatography (UHPLC) coupled to Orbitrap MS. To interpret the results, MCR-Van Krevelen (VK) diagrams are generated for the different OA samples and the individual compounds are categorized into specific areas in the diagrams. The results show that the MCR index is a valuable parameter for representing atmospheric SOA components in composition and structure-dependent visualization tools such as VK diagrams. Conclusions The MCR index is suggested as a tool for a better characterization of the sources and the processing of atmospheric OA components based on HRMS data. Since the MCR contains information on the concentration of highly electrophilic organic compounds in particulate matter (PM) as well as on the concentration of organic (hydro)peroxides, the MCR could be a promising metric for identifying health-related particulate matter parameters by HRMS.
DOI	10.1002/rcm.9113
关键词[WOS]	RESOLUTION MASS-SPECTROMETRY ; AQUEOUS-PHASE REACTIONS ; ALPHA-PINENE ; MOLECULAR COMPOSITION ; ATMOSPHERIC OXIDATION ; SEASONAL-VARIATION ; PRODUCTS ; ELECTROSPRAY ; PHOTOOXIDATION ; COMBUSTION
收录类别	SCI ; SCI
语种	英语
资助项目	German Federal Ministry of Education and Research[01LK1602D] ; Deutsche Forschungsgemeinschaft[HO 1748/19-1] ; Deutsche Forschungsgemeinschaft[HO 1748/20-1] ; National Natural Science Foundation of China (NSFC)[41925015] ; Max Planck Society
WOS研究方向	Biochemistry & Molecular Biology ; Chemistry ; Spectroscopy
项目资助者	German Federal Ministry of Education and Research ; Deutsche Forschungsgemeinschaft ; National Natural Science Foundation of China (NSFC) ; Max Planck Society
WOS类目	Biochemical Research Methods ; Chemistry, Analytical ; Spectroscopy
WOS记录号	WOS:000661178400001
出版者	WILEY
引用统计	被引频次：13[WOS] [WOS记录] [WOS相关记录]
文献类型	期刊论文
条目标识符	http://ir.ieecas.cn/handle/361006/16784
专题	粉尘与环境研究室
通讯作者	Hoffmann, Thorsten
作者单位	1.Johannes Gutenberg Univ Mainz, Dept Chem, D-55128 Mainz, Germany 2.China Agr Univ, Key Lab Plant Soil Interact, Coll Resources & Environm Sci, Natl Acad Agr Green Dev,MOE, Beijing 100193, Peoples R China 3.Hong Kong Polytech Univ, Dept Civil & Environm Engn, Kowloon, Hong Kong, Peoples R China 4.Chinese Acad Sci, State Key Lab Loess & Quaternary Geol, Key Lab Aerosol Chem & Phys, Inst Earth Environm, Xian 710061, Peoples R China
推荐引用方式 GB/T 7714	Zhang, Yun,Wang, Kai,Tong, Haijie,et al. The maximum carbonyl ratio (MCR) as a new index for the structural classification of secondary organic aerosol components[J]. RAPID COMMUNICATIONS IN MASS SPECTROMETRY,2021,35(14):11.
APA	Zhang, Yun,Wang, Kai,Tong, Haijie,Huang, Ru-Jin,&Hoffmann, Thorsten.(2021).The maximum carbonyl ratio (MCR) as a new index for the structural classification of secondary organic aerosol components.RAPID COMMUNICATIONS IN MASS SPECTROMETRY,35(14),11.
MLA	Zhang, Yun,et al."The maximum carbonyl ratio (MCR) as a new index for the structural classification of secondary organic aerosol components".RAPID COMMUNICATIONS IN MASS SPECTROMETRY 35.14(2021):11.