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DOI	10.1016/j.atmosres.2020.105400
	Theoretical analysis for bacteria participating in atmospheric nucleation
	Jiang B.; Xia D.; Liu X.
发表日期	2021
ISSN	0169-8095
卷号	250
英文摘要	Particulate Matter with aerodynamic diameter smaller than 2.5 μm (PM2.5) especially those with toxic bacteria can heavily damage the human physiological system, and lead to respiratory and cardiovascular disease. Although the biological species is widely observed in aerosol particles, the current knowledge has not clearly clarified why and how that happens. Herein, the ab initio calculation of the interaction between bacteria molecule and inorganic aerosol precursors (i.e., Sulfuric Acid SA, Nitrite Acid NA and Ammonia AM) is conducted, to investigate the potential role of bacteria in atmospheric nucleation. Typical bacteria Gram-positive (G+) bacteria and Gram-negative (G-) bacteria are usually with diameter at ~1 μm, which can initiate heterogeneous nucleation with SA, NA or AM by serving as pre-existing surface. Hydrogen bond (H-bond) is found to be formed and represents the driven force for the heterogeneous nucleation. The enhanced heterogeneous nucleation by bacterium can contribute to secondary aerosol particles. Geometrical analysis shows that the aggregation between bacteria molecule and the SA is the most stable, which bears two H-bond and processes a cyclic structure. Thermochemical analysis indicates no matter the bacteria molecule belongs to G+ or G-, it would prefer to aggregate with the SA, followed by the NA and AM. And the G+ bacteria is relatively more active to aggregate with inorganic precursors compared to G- bacteria. © 2020 Elsevier B.V.
英文关键词	Bacteria; Nucleation; Particulate matter; Toxicology
语种	英语
scopus关键词	Aerosols; Aggregates; Ammonia; Calculations; Crystallization; Hydrogen bonds; Meteorology; Molecules; Nucleation; Ab initio calculations; Aerodynamic diameters; Cardio-vascular disease; Geometrical analysis; Heterogeneous nucleation; Inorganic precursor; Physiological systems; Thermochemical analysis; Bacteria; aerosol; bacterium; nucleation; particulate matter; toxicology; Bacteria (microorganisms); Negibacteria; Posibacteria; unclassified Gram-positive bacteria
来源期刊	Atmospheric Research
文献类型	期刊论文
条目标识符	http://gcip.llas.ac.cn/handle/2XKMVOVA/162101
作者单位	School of Energy and Environmental Engineering, University of Science and Technology Beijing, Beijing, 100083, China; Beijing Key Laboratory of Energy Saving and Emission Reduction for Metallurgical Industry, University of Science and Technology Beijing, Beijing, 100083, China
推荐引用方式 GB/T 7714	Jiang B.,Xia D.,Liu X.. Theoretical analysis for bacteria participating in atmospheric nucleation[J],2021,250.
APA	Jiang B.,Xia D.,&Liu X..(2021).Theoretical analysis for bacteria participating in atmospheric nucleation.Atmospheric Research,250.
MLA	Jiang B.,et al."Theoretical analysis for bacteria participating in atmospheric nucleation".Atmospheric Research 250(2021).