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Contributions of alanine and serine to sulfuric acid-based homogeneous nucleation

文献类型：期刊论文

作者Cao, Hui2; Liu, Yi-Rong2; Huang, Teng3; Jiang, Shuai2; Wang, Zi-Hang2; Liu, Ying2; Feng, Ya-Juan2; Huang, Wei1,2,3
刊名ATMOSPHERIC ENVIRONMENT
出版日期2021-02-01
卷号246
关键词New particle formation Amino acids Proton transfer Synergistic effect Steric effect Formation rate
ISSN号1352-2310
DOI10.1016/j.atmosenv.2020.118139
通讯作者Feng, Ya-Juan(fengyj6@ustc.edu.cn) ; Huang, Wei(huangwei6@ustc.edu.cn)
英文摘要New particle formation (NPF) is the main source of atmospheric aerosols, and amino acids have been detected as the important components of atmospheric particulate matter. However, the role played by amino acids with different functional groups in the initial events of nucleation remains unclear. In this study, the interactions of alanine (Ala) and serine (Ser), which differ structurally by one hydroxyl group, with sulfuric acid were studied at the M06-2X/6-311 + G (d, p) theory level. Structural and thermochemical analysis results show that in small clusters, the introduction of the Ser's hydroxyl groups leads to the synergistic effect, which promotes proton transfer and improves the stability of the clusters. With the increase of cluster's size, the synergistic effect gradually reduces, the introduction of hydroxyl groups hinders the formation of hydrogen bonds between amino and carboxyl groups of Ser molecules with sulfuric acid molecules, resulting in the steric effect, reducing the stability of the clusters. Atmospheric relevance analysis results show that the formation rates of the clusters are positively correlated with the concentrations of sulfuric acid and amino acid, but negatively correlated with temperature. The temperature dependence of (SA)(m) (Ser)(m) is lower than that of (SA)(n) (Ala)(n) (n, m = 1-2, n = m), indicating for small clusters, the synergistic effect improves the stability of the clusters and plays an important role in the formation rates. The formation rates of (SA)(m) (Ser)(m) are slightly lower than that of (SA)(n) (Ala)(n) (n, m = 3-4), indicating for large clusters, the steric effect reduces the stability of the clusters and the concentrations of amino acid and sulfuric acid, temperature have greater influence on the formation rates.
资助项目National Natural Science Foundation of China[41877305] ; National Natural Science Foundation of China[41605099] ; National Natural Science Foundation of China[41705097] ; National Natural Science Foundation of China[41705111] ; National Natural Science Foundation of China[41775112] ; National Natural Science Foundation of China[41527808] ; National Science Fund for Distinguished Young Scholars[41725019] ; Key Research Program of Frontier Science, CAS[QYZDB-SSW-DQC031] ; National Key Research and Development program[2016YFC0202203] ; National Research Program for Key Issues in Air Pollution Control[DQGG0103]
WOS研究方向Environmental Sciences & Ecology ; Meteorology & Atmospheric Sciences
语种英语
WOS记录号WOS:000634461000019
出版者PERGAMON-ELSEVIER SCIENCE LTD
资助机构National Natural Science Foundation of China ; National Science Fund for Distinguished Young Scholars ; Key Research Program of Frontier Science, CAS ; National Key Research and Development program ; National Research Program for Key Issues in Air Pollution Control
源URL[http://ir.hfcas.ac.cn:8080/handle/334002/121376]  
专题中国科学院合肥物质科学研究院
通讯作者Feng, Ya-Juan; Huang, Wei
作者单位1.CAS Ctr Excellent Urban Atmospher Environm, Xiamen 361021, Fujian, Peoples R China
2.Univ Sci & Technol China, Sch Informat Sci & Technol, Hefei 230026, Anhui, Peoples R China
3.Chinese Acad Sci, Anhui Inst Opt & Fine Mech, Lab Atmospher Physicochem, Hefei 230031, Anhui, Peoples R China
推荐引用方式
GB/T 7714		 Cao, Hui,Liu, Yi-Rong,Huang, Teng,et al. Contributions of alanine and serine to sulfuric acid-based homogeneous nucleation[J]. ATMOSPHERIC ENVIRONMENT,2021,246.
APA Cao, Hui.,Liu, Yi-Rong.,Huang, Teng.,Jiang, Shuai.,Wang, Zi-Hang.,...&Huang, Wei.(2021).Contributions of alanine and serine to sulfuric acid-based homogeneous nucleation.ATMOSPHERIC ENVIRONMENT,246.
MLA Cao, Hui,et al."Contributions of alanine and serine to sulfuric acid-based homogeneous nucleation".ATMOSPHERIC ENVIRONMENT 246(2021).

入库方式： OAI收割

来源：合肥物质科学研究院

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