Contributions of alanine and serine to sulfuric acid-based homogeneous nucleation.
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| Title: | Contributions of alanine and serine to sulfuric acid-based homogeneous nucleation. |
|---|---|
| Authors: | Cao, Hui1 (AUTHOR), Liu, Yi-Rong1 (AUTHOR), Huang, Teng2 (AUTHOR), Jiang, Shuai1 (AUTHOR), Wang, Zi-Hang1 (AUTHOR), Liu, Ying1 (AUTHOR), Feng, Ya-Juan1 (AUTHOR) fengyj6@ustc.edu.cn, Huang, Wei1,2,3 (AUTHOR) huangwei6@ustc.edu.cn |
| Source: | Atmospheric Environment. Feb2021, Vol. 246, pN.PAG-N.PAG. 1p. |
| Subjects: | Sulfuric acid, Homogeneous nucleation, Alanine, Serine, Atmospheric aerosols, Functional groups, Hydroxyl group |
| Abstract: | 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. • Synergistic effect enhances pre-nucleation clusters formation. • Steric effect suppresses pre-nucleation clusters formation. • Formation rates are positively correlated with the monomers' concentration. • Formation rates are negatively correlated with temperature. [ABSTRACT FROM AUTHOR] |
| Copyright of Atmospheric Environment is the property of Pergamon Press - An Imprint of Elsevier Science and its content may not be copied or emailed to multiple sites without the copyright holder's express written permission. Additionally, content may not be used with any artificial intelligence tools or machine learning technologies. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract. (Copyright applies to all Abstracts.) | |
| Database: | Engineering Source |
| FullText | Text: Availability: 0 |
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| Header | DbId: egs DbLabel: Engineering Source An: 148233906 AccessLevel: 6 PubType: Academic Journal PubTypeId: academicJournal PreciseRelevancyScore: 0 |
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| Items | – Name: Title Label: Title Group: Ti Data: Contributions of alanine and serine to sulfuric acid-based homogeneous nucleation. – Name: Author Label: Authors Group: Au Data: <searchLink fieldCode="AR" term="%22Cao%2C+Hui%22">Cao, Hui</searchLink><relatesTo>1</relatesTo> (AUTHOR)<br /><searchLink fieldCode="AR" term="%22Liu%2C+Yi-Rong%22">Liu, Yi-Rong</searchLink><relatesTo>1</relatesTo> (AUTHOR)<br /><searchLink fieldCode="AR" term="%22Huang%2C+Teng%22">Huang, Teng</searchLink><relatesTo>2</relatesTo> (AUTHOR)<br /><searchLink fieldCode="AR" term="%22Jiang%2C+Shuai%22">Jiang, Shuai</searchLink><relatesTo>1</relatesTo> (AUTHOR)<br /><searchLink fieldCode="AR" term="%22Wang%2C+Zi-Hang%22">Wang, Zi-Hang</searchLink><relatesTo>1</relatesTo> (AUTHOR)<br /><searchLink fieldCode="AR" term="%22Liu%2C+Ying%22">Liu, Ying</searchLink><relatesTo>1</relatesTo> (AUTHOR)<br /><searchLink fieldCode="AR" term="%22Feng%2C+Ya-Juan%22">Feng, Ya-Juan</searchLink><relatesTo>1</relatesTo> (AUTHOR)<i> fengyj6@ustc.edu.cn</i><br /><searchLink fieldCode="AR" term="%22Huang%2C+Wei%22">Huang, Wei</searchLink><relatesTo>1,2,3</relatesTo> (AUTHOR)<i> huangwei6@ustc.edu.cn</i> – Name: TitleSource Label: Source Group: Src Data: <searchLink fieldCode="JN" term="%22Atmospheric+Environment%22">Atmospheric Environment</searchLink>. Feb2021, Vol. 246, pN.PAG-N.PAG. 1p. – Name: Subject Label: Subjects Group: Su Data: <searchLink fieldCode="DE" term="%22Sulfuric+acid%22">Sulfuric acid</searchLink><br /><searchLink fieldCode="DE" term="%22Homogeneous+nucleation%22">Homogeneous nucleation</searchLink><br /><searchLink fieldCode="DE" term="%22Alanine%22">Alanine</searchLink><br /><searchLink fieldCode="DE" term="%22Serine%22">Serine</searchLink><br /><searchLink fieldCode="DE" term="%22Atmospheric+aerosols%22">Atmospheric aerosols</searchLink><br /><searchLink fieldCode="DE" term="%22Functional+groups%22">Functional groups</searchLink><br /><searchLink fieldCode="DE" term="%22Hydroxyl+group%22">Hydroxyl group</searchLink> – Name: Abstract Label: Abstract Group: Ab Data: 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. • Synergistic effect enhances pre-nucleation clusters formation. • Steric effect suppresses pre-nucleation clusters formation. • Formation rates are positively correlated with the monomers' concentration. • Formation rates are negatively correlated with temperature. [ABSTRACT FROM AUTHOR] – Name: AbstractSuppliedCopyright Label: Group: Ab Data: <i>Copyright of Atmospheric Environment is the property of Pergamon Press - An Imprint of Elsevier Science and its content may not be copied or emailed to multiple sites without the copyright holder's express written permission. Additionally, content may not be used with any artificial intelligence tools or machine learning technologies. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract.</i> (Copyright applies to all Abstracts.) |
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| RecordInfo | BibRecord: BibEntity: Identifiers: – Type: doi Value: 10.1016/j.atmosenv.2020.118139 Languages: – Code: eng Text: English PhysicalDescription: Pagination: PageCount: 1 StartPage: N.PAG Subjects: – SubjectFull: Sulfuric acid Type: general – SubjectFull: Homogeneous nucleation Type: general – SubjectFull: Alanine Type: general – SubjectFull: Serine Type: general – SubjectFull: Atmospheric aerosols Type: general – SubjectFull: Functional groups Type: general – SubjectFull: Hydroxyl group Type: general Titles: – TitleFull: Contributions of alanine and serine to sulfuric acid-based homogeneous nucleation. Type: main BibRelationships: HasContributorRelationships: – PersonEntity: Name: NameFull: Cao, Hui – PersonEntity: Name: NameFull: Liu, Yi-Rong – PersonEntity: Name: NameFull: Huang, Teng – PersonEntity: Name: NameFull: Jiang, Shuai – PersonEntity: Name: NameFull: Wang, Zi-Hang – PersonEntity: Name: NameFull: Liu, Ying – PersonEntity: Name: NameFull: Feng, Ya-Juan – PersonEntity: Name: NameFull: Huang, Wei IsPartOfRelationships: – BibEntity: Dates: – D: 01 M: 02 Text: Feb2021 Type: published Y: 2021 Identifiers: – Type: issn-print Value: 13522310 Numbering: – Type: volume Value: 246 Titles: – TitleFull: Atmospheric Environment Type: main |
| ResultId | 1 |
