{"database":"biostudies-literature","file_versions":[],"scores":null,"additional":{"submitter":["Zhao X"],"funding":["Fundamental Research Fund of Shandong University","National Natural Science Foundation of China","Ministry of Science and Higher Education of the Russian Federation","China Postdoctoral Science Foundation","Russian Science Foundation","Chinese Research Academy of Environmental Sciences"],"pagination":["493-500"],"full_dataset_link":["https://www.ebi.ac.uk/biostudies/studies/S-EPMC8690887"],"repository":["biostudies-literature"],"omics_type":["Unknown"],"volume":["11(1)"],"pubmed_abstract":["Propionamide (PA), an important pollutant emitted into the atmosphere from a variety of sources, is abundant in many areas worldwide, and could be involved in new particle formation (NPF). In this study, the enhancement of the H<sub>2</sub>SO<sub>4</sub> (SA)-based NPF by PA was evaluated through investigating the formation mechanism of (PA) <sub><i>m</i></sub> (SA) <sub><i>n</i></sub> (<i>m</i> = 0-3 and <i>n</i> = 0-3) clusters using computational chemistry and kinetics modeling. Our study proved that the formation of all the PA-containing clusters is thermodynamically favorable. Furthermore, the [double bond, length as m-dash]O group in PA plays an important role in the clusters with more PA than SA, and the basicity of bases exerts a greater influence with an increasing amount of SA. W"],"journal":["RSC advances"],"pubmed_title":["Propionamide participating in H<sub>2</sub>SO<sub>4</sub>-based new particle formation: a theory study."],"pmcid":["PMC8690887"],"funding_grant_id":["2017JC033","18-11-00247","21876102","2017T100493","FSFS-2020-0031","2016OFP09","91644214","2016WLJH51","2017M612277","21976107"],"pubmed_authors":["Nadykto AB","Li Y","Xu F","Wang W","Zuo C","Sun Y","Du L","Zhang Q","Zhao X","Xu Y"],"additional_accession":[]},"is_claimable":false,"name":"Propionamide participating in H<sub>2</sub>SO<sub>4</sub>-based new particle formation: a theory study.","description":"Propionamide (PA), an important pollutant emitted into the atmosphere from a variety of sources, is abundant in many areas worldwide, and could be involved in new particle formation (NPF). In this study, the enhancement of the H<sub>2</sub>SO<sub>4</sub> (SA)-based NPF by PA was evaluated through investigating the formation mechanism of (PA) <sub><i>m</i></sub> (SA) <sub><i>n</i></sub> (<i>m</i> = 0-3 and <i>n</i> = 0-3) clusters using computational chemistry and kinetics modeling. Our study proved that the formation of all the PA-containing clusters is thermodynamically favorable. Furthermore, the [double bond, length as m-dash]O group in PA plays an important role in the clusters with more PA than SA, and the basicity of bases exerts a greater influence with an increasing amount of SA. W","dates":{"release":"2020-01-01T00:00:00Z","publication":"2020 Dec","modification":"2025-04-05T13:07:55.965Z","creation":"2025-04-05T13:07:55.965Z"},"accession":"S-EPMC8690887","cross_references":{"pubmed":["35423025"],"doi":["10.1039/d0ra09323h"]}}