Comparison results of eight oxygenated organic molecules: Unexpected contribution to new particle formation in the atmosphere
Recently, the correlation between the new particle formation (NPF) events and oxygenated organic molecules (OMs) was observed frequently in forest ambient. However, the understanding of OMs-driven NPF mechanism at the molecular level remains ambiguous. The participation of eight organic compounds (O...
Ausführliche Beschreibung
Gespeichert in:
| Autor*in: |
Tan, Shendong [verfasserIn] |
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| Format: |
E-Artikel |
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| Sprache: |
Englisch |
| Erschienen: |
2022transfer abstract |
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| Schlagwörter: |
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| Übergeordnetes Werk: |
Enthalten in: The internal pudendal artery turnover (IPAT) flap: A new, simple and reliable technique for perineal reconstruction - Nassar, M.K. ELSEVIER, 2021, Amsterdam [u.a.] |
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| Übergeordnetes Werk: |
volume:268 ; year:2022 ; day:1 ; month:01 ; pages:0 |
| Links: |
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| DOI / URN: |
10.1016/j.atmosenv.2021.118817 |
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ELV055996205 |
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| 245 | 1 | 0 | |a Comparison results of eight oxygenated organic molecules: Unexpected contribution to new particle formation in the atmosphere |
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| 520 | |a Recently, the correlation between the new particle formation (NPF) events and oxygenated organic molecules (OMs) was observed frequently in forest ambient. However, the understanding of OMs-driven NPF mechanism at the molecular level remains ambiguous. The participation of eight organic compounds (Orgs) together with sulfuric acid (SA) respectively in the initial steps of NPF was investigated by the quantum-chemical calculation and Atmospheric Cluster Dynamics Code (ACDC). Thermodynamic and structural analysis prove that most of (Org) x (SA) y (0 ≤ x ≤ 2; 0 ≤ y ≤ 2) clusters possess stable H-bonds, but other interactions, such as steric hindrance, should not be ignored when investigating their stabilities and reaction properties. Furthermore, the cluster formation rates of eight Org-SA systems are calculated and found to be different at three levels: (1) systems involved 3-carboxyheptanoic acid (CHA) and phthalic acid (PTA) present high formation rates exceeding 10−3 cm3 s−1, which indicate their high nucleation abilities; (2) systems containing cis-3-caric acid (CRA), limonic acid (LMA) and 3-methyl-1,2,3-butanetricarboxylic acid (MBTCA) have medium formation rate values from 10−6 to 10−4 cm3 s−1; and (3) systems including cis-pinic acid (PNA), 2-methyltetrols (MT) and 2-methylglyceric acid (MGA) present low formation rates less than 10−8 cm3 s−1. Our comparison results of theoretical researches about eight Orgs and SA indicate that OMs are expected to make important contributions to NPF under real atmospheric conditions. Especially, CHA and PTA, the crucial oxidation product of monoterpene and aromatic respectively, represent considerably strong potential abilities to form the critical clusters unexpectedly, and more attention should be paid to their effects on NPF in the real environment. | ||
| 520 | |a Recently, the correlation between the new particle formation (NPF) events and oxygenated organic molecules (OMs) was observed frequently in forest ambient. However, the understanding of OMs-driven NPF mechanism at the molecular level remains ambiguous. The participation of eight organic compounds (Orgs) together with sulfuric acid (SA) respectively in the initial steps of NPF was investigated by the quantum-chemical calculation and Atmospheric Cluster Dynamics Code (ACDC). Thermodynamic and structural analysis prove that most of (Org) x (SA) y (0 ≤ x ≤ 2; 0 ≤ y ≤ 2) clusters possess stable H-bonds, but other interactions, such as steric hindrance, should not be ignored when investigating their stabilities and reaction properties. Furthermore, the cluster formation rates of eight Org-SA systems are calculated and found to be different at three levels: (1) systems involved 3-carboxyheptanoic acid (CHA) and phthalic acid (PTA) present high formation rates exceeding 10−3 cm3 s−1, which indicate their high nucleation abilities; (2) systems containing cis-3-caric acid (CRA), limonic acid (LMA) and 3-methyl-1,2,3-butanetricarboxylic acid (MBTCA) have medium formation rate values from 10−6 to 10−4 cm3 s−1; and (3) systems including cis-pinic acid (PNA), 2-methyltetrols (MT) and 2-methylglyceric acid (MGA) present low formation rates less than 10−8 cm3 s−1. Our comparison results of theoretical researches about eight Orgs and SA indicate that OMs are expected to make important contributions to NPF under real atmospheric conditions. Especially, CHA and PTA, the crucial oxidation product of monoterpene and aromatic respectively, represent considerably strong potential abilities to form the critical clusters unexpectedly, and more attention should be paid to their effects on NPF in the real environment. | ||
| 650 | 7 | |a New particle formation |2 Elsevier | |
| 650 | 7 | |a Formation rate |2 Elsevier | |
| 650 | 7 | |a Oxygenated organic molecules |2 Elsevier | |
| 650 | 7 | |a Evaporation rate |2 Elsevier | |
| 650 | 7 | |a Growth pathway |2 Elsevier | |
| 700 | 1 | |a Chen, Xi |4 oth | |
| 700 | 1 | |a Yin, Shi |4 oth | |
| 773 | 0 | 8 | |i Enthalten in |n Elsevier Science |a Nassar, M.K. ELSEVIER |t The internal pudendal artery turnover (IPAT) flap: A new, simple and reliable technique for perineal reconstruction |d 2021 |g Amsterdam [u.a.] |w (DE-627)ELV00656139X |
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10.1016/j.atmosenv.2021.118817 doi /cbs_pica/cbs_olc/import_discovery/elsevier/einzuspielen/GBV00000000001603.pica (DE-627)ELV055996205 (ELSEVIER)S1352-2310(21)00639-7 DE-627 ger DE-627 rakwb eng 610 VZ 44.65 bkl Tan, Shendong verfasserin aut Comparison results of eight oxygenated organic molecules: Unexpected contribution to new particle formation in the atmosphere 2022transfer abstract nicht spezifiziert zzz rdacontent nicht spezifiziert z rdamedia nicht spezifiziert zu rdacarrier Recently, the correlation between the new particle formation (NPF) events and oxygenated organic molecules (OMs) was observed frequently in forest ambient. However, the understanding of OMs-driven NPF mechanism at the molecular level remains ambiguous. The participation of eight organic compounds (Orgs) together with sulfuric acid (SA) respectively in the initial steps of NPF was investigated by the quantum-chemical calculation and Atmospheric Cluster Dynamics Code (ACDC). Thermodynamic and structural analysis prove that most of (Org) x (SA) y (0 ≤ x ≤ 2; 0 ≤ y ≤ 2) clusters possess stable H-bonds, but other interactions, such as steric hindrance, should not be ignored when investigating their stabilities and reaction properties. Furthermore, the cluster formation rates of eight Org-SA systems are calculated and found to be different at three levels: (1) systems involved 3-carboxyheptanoic acid (CHA) and phthalic acid (PTA) present high formation rates exceeding 10−3 cm3 s−1, which indicate their high nucleation abilities; (2) systems containing cis-3-caric acid (CRA), limonic acid (LMA) and 3-methyl-1,2,3-butanetricarboxylic acid (MBTCA) have medium formation rate values from 10−6 to 10−4 cm3 s−1; and (3) systems including cis-pinic acid (PNA), 2-methyltetrols (MT) and 2-methylglyceric acid (MGA) present low formation rates less than 10−8 cm3 s−1. Our comparison results of theoretical researches about eight Orgs and SA indicate that OMs are expected to make important contributions to NPF under real atmospheric conditions. Especially, CHA and PTA, the crucial oxidation product of monoterpene and aromatic respectively, represent considerably strong potential abilities to form the critical clusters unexpectedly, and more attention should be paid to their effects on NPF in the real environment. Recently, the correlation between the new particle formation (NPF) events and oxygenated organic molecules (OMs) was observed frequently in forest ambient. However, the understanding of OMs-driven NPF mechanism at the molecular level remains ambiguous. The participation of eight organic compounds (Orgs) together with sulfuric acid (SA) respectively in the initial steps of NPF was investigated by the quantum-chemical calculation and Atmospheric Cluster Dynamics Code (ACDC). Thermodynamic and structural analysis prove that most of (Org) x (SA) y (0 ≤ x ≤ 2; 0 ≤ y ≤ 2) clusters possess stable H-bonds, but other interactions, such as steric hindrance, should not be ignored when investigating their stabilities and reaction properties. Furthermore, the cluster formation rates of eight Org-SA systems are calculated and found to be different at three levels: (1) systems involved 3-carboxyheptanoic acid (CHA) and phthalic acid (PTA) present high formation rates exceeding 10−3 cm3 s−1, which indicate their high nucleation abilities; (2) systems containing cis-3-caric acid (CRA), limonic acid (LMA) and 3-methyl-1,2,3-butanetricarboxylic acid (MBTCA) have medium formation rate values from 10−6 to 10−4 cm3 s−1; and (3) systems including cis-pinic acid (PNA), 2-methyltetrols (MT) and 2-methylglyceric acid (MGA) present low formation rates less than 10−8 cm3 s−1. Our comparison results of theoretical researches about eight Orgs and SA indicate that OMs are expected to make important contributions to NPF under real atmospheric conditions. Especially, CHA and PTA, the crucial oxidation product of monoterpene and aromatic respectively, represent considerably strong potential abilities to form the critical clusters unexpectedly, and more attention should be paid to their effects on NPF in the real environment. New particle formation Elsevier Formation rate Elsevier Oxygenated organic molecules Elsevier Evaporation rate Elsevier Growth pathway Elsevier Chen, Xi oth Yin, Shi oth Enthalten in Elsevier Science Nassar, M.K. ELSEVIER The internal pudendal artery turnover (IPAT) flap: A new, simple and reliable technique for perineal reconstruction 2021 Amsterdam [u.a.] (DE-627)ELV00656139X volume:268 year:2022 day:1 month:01 pages:0 https://doi.org/10.1016/j.atmosenv.2021.118817 Volltext GBV_USEFLAG_U GBV_ELV SYSFLAG_U SSG-OLC-PHA 44.65 Chirurgie VZ AR 268 2022 1 0101 0 |
| spelling |
10.1016/j.atmosenv.2021.118817 doi /cbs_pica/cbs_olc/import_discovery/elsevier/einzuspielen/GBV00000000001603.pica (DE-627)ELV055996205 (ELSEVIER)S1352-2310(21)00639-7 DE-627 ger DE-627 rakwb eng 610 VZ 44.65 bkl Tan, Shendong verfasserin aut Comparison results of eight oxygenated organic molecules: Unexpected contribution to new particle formation in the atmosphere 2022transfer abstract nicht spezifiziert zzz rdacontent nicht spezifiziert z rdamedia nicht spezifiziert zu rdacarrier Recently, the correlation between the new particle formation (NPF) events and oxygenated organic molecules (OMs) was observed frequently in forest ambient. However, the understanding of OMs-driven NPF mechanism at the molecular level remains ambiguous. The participation of eight organic compounds (Orgs) together with sulfuric acid (SA) respectively in the initial steps of NPF was investigated by the quantum-chemical calculation and Atmospheric Cluster Dynamics Code (ACDC). Thermodynamic and structural analysis prove that most of (Org) x (SA) y (0 ≤ x ≤ 2; 0 ≤ y ≤ 2) clusters possess stable H-bonds, but other interactions, such as steric hindrance, should not be ignored when investigating their stabilities and reaction properties. Furthermore, the cluster formation rates of eight Org-SA systems are calculated and found to be different at three levels: (1) systems involved 3-carboxyheptanoic acid (CHA) and phthalic acid (PTA) present high formation rates exceeding 10−3 cm3 s−1, which indicate their high nucleation abilities; (2) systems containing cis-3-caric acid (CRA), limonic acid (LMA) and 3-methyl-1,2,3-butanetricarboxylic acid (MBTCA) have medium formation rate values from 10−6 to 10−4 cm3 s−1; and (3) systems including cis-pinic acid (PNA), 2-methyltetrols (MT) and 2-methylglyceric acid (MGA) present low formation rates less than 10−8 cm3 s−1. Our comparison results of theoretical researches about eight Orgs and SA indicate that OMs are expected to make important contributions to NPF under real atmospheric conditions. Especially, CHA and PTA, the crucial oxidation product of monoterpene and aromatic respectively, represent considerably strong potential abilities to form the critical clusters unexpectedly, and more attention should be paid to their effects on NPF in the real environment. Recently, the correlation between the new particle formation (NPF) events and oxygenated organic molecules (OMs) was observed frequently in forest ambient. However, the understanding of OMs-driven NPF mechanism at the molecular level remains ambiguous. The participation of eight organic compounds (Orgs) together with sulfuric acid (SA) respectively in the initial steps of NPF was investigated by the quantum-chemical calculation and Atmospheric Cluster Dynamics Code (ACDC). Thermodynamic and structural analysis prove that most of (Org) x (SA) y (0 ≤ x ≤ 2; 0 ≤ y ≤ 2) clusters possess stable H-bonds, but other interactions, such as steric hindrance, should not be ignored when investigating their stabilities and reaction properties. Furthermore, the cluster formation rates of eight Org-SA systems are calculated and found to be different at three levels: (1) systems involved 3-carboxyheptanoic acid (CHA) and phthalic acid (PTA) present high formation rates exceeding 10−3 cm3 s−1, which indicate their high nucleation abilities; (2) systems containing cis-3-caric acid (CRA), limonic acid (LMA) and 3-methyl-1,2,3-butanetricarboxylic acid (MBTCA) have medium formation rate values from 10−6 to 10−4 cm3 s−1; and (3) systems including cis-pinic acid (PNA), 2-methyltetrols (MT) and 2-methylglyceric acid (MGA) present low formation rates less than 10−8 cm3 s−1. Our comparison results of theoretical researches about eight Orgs and SA indicate that OMs are expected to make important contributions to NPF under real atmospheric conditions. Especially, CHA and PTA, the crucial oxidation product of monoterpene and aromatic respectively, represent considerably strong potential abilities to form the critical clusters unexpectedly, and more attention should be paid to their effects on NPF in the real environment. New particle formation Elsevier Formation rate Elsevier Oxygenated organic molecules Elsevier Evaporation rate Elsevier Growth pathway Elsevier Chen, Xi oth Yin, Shi oth Enthalten in Elsevier Science Nassar, M.K. ELSEVIER The internal pudendal artery turnover (IPAT) flap: A new, simple and reliable technique for perineal reconstruction 2021 Amsterdam [u.a.] (DE-627)ELV00656139X volume:268 year:2022 day:1 month:01 pages:0 https://doi.org/10.1016/j.atmosenv.2021.118817 Volltext GBV_USEFLAG_U GBV_ELV SYSFLAG_U SSG-OLC-PHA 44.65 Chirurgie VZ AR 268 2022 1 0101 0 |
| allfields_unstemmed |
10.1016/j.atmosenv.2021.118817 doi /cbs_pica/cbs_olc/import_discovery/elsevier/einzuspielen/GBV00000000001603.pica (DE-627)ELV055996205 (ELSEVIER)S1352-2310(21)00639-7 DE-627 ger DE-627 rakwb eng 610 VZ 44.65 bkl Tan, Shendong verfasserin aut Comparison results of eight oxygenated organic molecules: Unexpected contribution to new particle formation in the atmosphere 2022transfer abstract nicht spezifiziert zzz rdacontent nicht spezifiziert z rdamedia nicht spezifiziert zu rdacarrier Recently, the correlation between the new particle formation (NPF) events and oxygenated organic molecules (OMs) was observed frequently in forest ambient. However, the understanding of OMs-driven NPF mechanism at the molecular level remains ambiguous. The participation of eight organic compounds (Orgs) together with sulfuric acid (SA) respectively in the initial steps of NPF was investigated by the quantum-chemical calculation and Atmospheric Cluster Dynamics Code (ACDC). Thermodynamic and structural analysis prove that most of (Org) x (SA) y (0 ≤ x ≤ 2; 0 ≤ y ≤ 2) clusters possess stable H-bonds, but other interactions, such as steric hindrance, should not be ignored when investigating their stabilities and reaction properties. Furthermore, the cluster formation rates of eight Org-SA systems are calculated and found to be different at three levels: (1) systems involved 3-carboxyheptanoic acid (CHA) and phthalic acid (PTA) present high formation rates exceeding 10−3 cm3 s−1, which indicate their high nucleation abilities; (2) systems containing cis-3-caric acid (CRA), limonic acid (LMA) and 3-methyl-1,2,3-butanetricarboxylic acid (MBTCA) have medium formation rate values from 10−6 to 10−4 cm3 s−1; and (3) systems including cis-pinic acid (PNA), 2-methyltetrols (MT) and 2-methylglyceric acid (MGA) present low formation rates less than 10−8 cm3 s−1. Our comparison results of theoretical researches about eight Orgs and SA indicate that OMs are expected to make important contributions to NPF under real atmospheric conditions. Especially, CHA and PTA, the crucial oxidation product of monoterpene and aromatic respectively, represent considerably strong potential abilities to form the critical clusters unexpectedly, and more attention should be paid to their effects on NPF in the real environment. Recently, the correlation between the new particle formation (NPF) events and oxygenated organic molecules (OMs) was observed frequently in forest ambient. However, the understanding of OMs-driven NPF mechanism at the molecular level remains ambiguous. The participation of eight organic compounds (Orgs) together with sulfuric acid (SA) respectively in the initial steps of NPF was investigated by the quantum-chemical calculation and Atmospheric Cluster Dynamics Code (ACDC). Thermodynamic and structural analysis prove that most of (Org) x (SA) y (0 ≤ x ≤ 2; 0 ≤ y ≤ 2) clusters possess stable H-bonds, but other interactions, such as steric hindrance, should not be ignored when investigating their stabilities and reaction properties. Furthermore, the cluster formation rates of eight Org-SA systems are calculated and found to be different at three levels: (1) systems involved 3-carboxyheptanoic acid (CHA) and phthalic acid (PTA) present high formation rates exceeding 10−3 cm3 s−1, which indicate their high nucleation abilities; (2) systems containing cis-3-caric acid (CRA), limonic acid (LMA) and 3-methyl-1,2,3-butanetricarboxylic acid (MBTCA) have medium formation rate values from 10−6 to 10−4 cm3 s−1; and (3) systems including cis-pinic acid (PNA), 2-methyltetrols (MT) and 2-methylglyceric acid (MGA) present low formation rates less than 10−8 cm3 s−1. Our comparison results of theoretical researches about eight Orgs and SA indicate that OMs are expected to make important contributions to NPF under real atmospheric conditions. Especially, CHA and PTA, the crucial oxidation product of monoterpene and aromatic respectively, represent considerably strong potential abilities to form the critical clusters unexpectedly, and more attention should be paid to their effects on NPF in the real environment. New particle formation Elsevier Formation rate Elsevier Oxygenated organic molecules Elsevier Evaporation rate Elsevier Growth pathway Elsevier Chen, Xi oth Yin, Shi oth Enthalten in Elsevier Science Nassar, M.K. ELSEVIER The internal pudendal artery turnover (IPAT) flap: A new, simple and reliable technique for perineal reconstruction 2021 Amsterdam [u.a.] (DE-627)ELV00656139X volume:268 year:2022 day:1 month:01 pages:0 https://doi.org/10.1016/j.atmosenv.2021.118817 Volltext GBV_USEFLAG_U GBV_ELV SYSFLAG_U SSG-OLC-PHA 44.65 Chirurgie VZ AR 268 2022 1 0101 0 |
| allfieldsGer |
10.1016/j.atmosenv.2021.118817 doi /cbs_pica/cbs_olc/import_discovery/elsevier/einzuspielen/GBV00000000001603.pica (DE-627)ELV055996205 (ELSEVIER)S1352-2310(21)00639-7 DE-627 ger DE-627 rakwb eng 610 VZ 44.65 bkl Tan, Shendong verfasserin aut Comparison results of eight oxygenated organic molecules: Unexpected contribution to new particle formation in the atmosphere 2022transfer abstract nicht spezifiziert zzz rdacontent nicht spezifiziert z rdamedia nicht spezifiziert zu rdacarrier Recently, the correlation between the new particle formation (NPF) events and oxygenated organic molecules (OMs) was observed frequently in forest ambient. However, the understanding of OMs-driven NPF mechanism at the molecular level remains ambiguous. The participation of eight organic compounds (Orgs) together with sulfuric acid (SA) respectively in the initial steps of NPF was investigated by the quantum-chemical calculation and Atmospheric Cluster Dynamics Code (ACDC). Thermodynamic and structural analysis prove that most of (Org) x (SA) y (0 ≤ x ≤ 2; 0 ≤ y ≤ 2) clusters possess stable H-bonds, but other interactions, such as steric hindrance, should not be ignored when investigating their stabilities and reaction properties. Furthermore, the cluster formation rates of eight Org-SA systems are calculated and found to be different at three levels: (1) systems involved 3-carboxyheptanoic acid (CHA) and phthalic acid (PTA) present high formation rates exceeding 10−3 cm3 s−1, which indicate their high nucleation abilities; (2) systems containing cis-3-caric acid (CRA), limonic acid (LMA) and 3-methyl-1,2,3-butanetricarboxylic acid (MBTCA) have medium formation rate values from 10−6 to 10−4 cm3 s−1; and (3) systems including cis-pinic acid (PNA), 2-methyltetrols (MT) and 2-methylglyceric acid (MGA) present low formation rates less than 10−8 cm3 s−1. Our comparison results of theoretical researches about eight Orgs and SA indicate that OMs are expected to make important contributions to NPF under real atmospheric conditions. Especially, CHA and PTA, the crucial oxidation product of monoterpene and aromatic respectively, represent considerably strong potential abilities to form the critical clusters unexpectedly, and more attention should be paid to their effects on NPF in the real environment. Recently, the correlation between the new particle formation (NPF) events and oxygenated organic molecules (OMs) was observed frequently in forest ambient. However, the understanding of OMs-driven NPF mechanism at the molecular level remains ambiguous. The participation of eight organic compounds (Orgs) together with sulfuric acid (SA) respectively in the initial steps of NPF was investigated by the quantum-chemical calculation and Atmospheric Cluster Dynamics Code (ACDC). Thermodynamic and structural analysis prove that most of (Org) x (SA) y (0 ≤ x ≤ 2; 0 ≤ y ≤ 2) clusters possess stable H-bonds, but other interactions, such as steric hindrance, should not be ignored when investigating their stabilities and reaction properties. Furthermore, the cluster formation rates of eight Org-SA systems are calculated and found to be different at three levels: (1) systems involved 3-carboxyheptanoic acid (CHA) and phthalic acid (PTA) present high formation rates exceeding 10−3 cm3 s−1, which indicate their high nucleation abilities; (2) systems containing cis-3-caric acid (CRA), limonic acid (LMA) and 3-methyl-1,2,3-butanetricarboxylic acid (MBTCA) have medium formation rate values from 10−6 to 10−4 cm3 s−1; and (3) systems including cis-pinic acid (PNA), 2-methyltetrols (MT) and 2-methylglyceric acid (MGA) present low formation rates less than 10−8 cm3 s−1. Our comparison results of theoretical researches about eight Orgs and SA indicate that OMs are expected to make important contributions to NPF under real atmospheric conditions. Especially, CHA and PTA, the crucial oxidation product of monoterpene and aromatic respectively, represent considerably strong potential abilities to form the critical clusters unexpectedly, and more attention should be paid to their effects on NPF in the real environment. New particle formation Elsevier Formation rate Elsevier Oxygenated organic molecules Elsevier Evaporation rate Elsevier Growth pathway Elsevier Chen, Xi oth Yin, Shi oth Enthalten in Elsevier Science Nassar, M.K. ELSEVIER The internal pudendal artery turnover (IPAT) flap: A new, simple and reliable technique for perineal reconstruction 2021 Amsterdam [u.a.] (DE-627)ELV00656139X volume:268 year:2022 day:1 month:01 pages:0 https://doi.org/10.1016/j.atmosenv.2021.118817 Volltext GBV_USEFLAG_U GBV_ELV SYSFLAG_U SSG-OLC-PHA 44.65 Chirurgie VZ AR 268 2022 1 0101 0 |
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10.1016/j.atmosenv.2021.118817 doi /cbs_pica/cbs_olc/import_discovery/elsevier/einzuspielen/GBV00000000001603.pica (DE-627)ELV055996205 (ELSEVIER)S1352-2310(21)00639-7 DE-627 ger DE-627 rakwb eng 610 VZ 44.65 bkl Tan, Shendong verfasserin aut Comparison results of eight oxygenated organic molecules: Unexpected contribution to new particle formation in the atmosphere 2022transfer abstract nicht spezifiziert zzz rdacontent nicht spezifiziert z rdamedia nicht spezifiziert zu rdacarrier Recently, the correlation between the new particle formation (NPF) events and oxygenated organic molecules (OMs) was observed frequently in forest ambient. However, the understanding of OMs-driven NPF mechanism at the molecular level remains ambiguous. The participation of eight organic compounds (Orgs) together with sulfuric acid (SA) respectively in the initial steps of NPF was investigated by the quantum-chemical calculation and Atmospheric Cluster Dynamics Code (ACDC). Thermodynamic and structural analysis prove that most of (Org) x (SA) y (0 ≤ x ≤ 2; 0 ≤ y ≤ 2) clusters possess stable H-bonds, but other interactions, such as steric hindrance, should not be ignored when investigating their stabilities and reaction properties. Furthermore, the cluster formation rates of eight Org-SA systems are calculated and found to be different at three levels: (1) systems involved 3-carboxyheptanoic acid (CHA) and phthalic acid (PTA) present high formation rates exceeding 10−3 cm3 s−1, which indicate their high nucleation abilities; (2) systems containing cis-3-caric acid (CRA), limonic acid (LMA) and 3-methyl-1,2,3-butanetricarboxylic acid (MBTCA) have medium formation rate values from 10−6 to 10−4 cm3 s−1; and (3) systems including cis-pinic acid (PNA), 2-methyltetrols (MT) and 2-methylglyceric acid (MGA) present low formation rates less than 10−8 cm3 s−1. Our comparison results of theoretical researches about eight Orgs and SA indicate that OMs are expected to make important contributions to NPF under real atmospheric conditions. Especially, CHA and PTA, the crucial oxidation product of monoterpene and aromatic respectively, represent considerably strong potential abilities to form the critical clusters unexpectedly, and more attention should be paid to their effects on NPF in the real environment. Recently, the correlation between the new particle formation (NPF) events and oxygenated organic molecules (OMs) was observed frequently in forest ambient. However, the understanding of OMs-driven NPF mechanism at the molecular level remains ambiguous. The participation of eight organic compounds (Orgs) together with sulfuric acid (SA) respectively in the initial steps of NPF was investigated by the quantum-chemical calculation and Atmospheric Cluster Dynamics Code (ACDC). Thermodynamic and structural analysis prove that most of (Org) x (SA) y (0 ≤ x ≤ 2; 0 ≤ y ≤ 2) clusters possess stable H-bonds, but other interactions, such as steric hindrance, should not be ignored when investigating their stabilities and reaction properties. Furthermore, the cluster formation rates of eight Org-SA systems are calculated and found to be different at three levels: (1) systems involved 3-carboxyheptanoic acid (CHA) and phthalic acid (PTA) present high formation rates exceeding 10−3 cm3 s−1, which indicate their high nucleation abilities; (2) systems containing cis-3-caric acid (CRA), limonic acid (LMA) and 3-methyl-1,2,3-butanetricarboxylic acid (MBTCA) have medium formation rate values from 10−6 to 10−4 cm3 s−1; and (3) systems including cis-pinic acid (PNA), 2-methyltetrols (MT) and 2-methylglyceric acid (MGA) present low formation rates less than 10−8 cm3 s−1. Our comparison results of theoretical researches about eight Orgs and SA indicate that OMs are expected to make important contributions to NPF under real atmospheric conditions. Especially, CHA and PTA, the crucial oxidation product of monoterpene and aromatic respectively, represent considerably strong potential abilities to form the critical clusters unexpectedly, and more attention should be paid to their effects on NPF in the real environment. New particle formation Elsevier Formation rate Elsevier Oxygenated organic molecules Elsevier Evaporation rate Elsevier Growth pathway Elsevier Chen, Xi oth Yin, Shi oth Enthalten in Elsevier Science Nassar, M.K. ELSEVIER The internal pudendal artery turnover (IPAT) flap: A new, simple and reliable technique for perineal reconstruction 2021 Amsterdam [u.a.] (DE-627)ELV00656139X volume:268 year:2022 day:1 month:01 pages:0 https://doi.org/10.1016/j.atmosenv.2021.118817 Volltext GBV_USEFLAG_U GBV_ELV SYSFLAG_U SSG-OLC-PHA 44.65 Chirurgie VZ AR 268 2022 1 0101 0 |
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Comparison results of eight oxygenated organic molecules: Unexpected contribution to new particle formation in the atmosphere |
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Recently, the correlation between the new particle formation (NPF) events and oxygenated organic molecules (OMs) was observed frequently in forest ambient. However, the understanding of OMs-driven NPF mechanism at the molecular level remains ambiguous. The participation of eight organic compounds (Orgs) together with sulfuric acid (SA) respectively in the initial steps of NPF was investigated by the quantum-chemical calculation and Atmospheric Cluster Dynamics Code (ACDC). Thermodynamic and structural analysis prove that most of (Org) x (SA) y (0 ≤ x ≤ 2; 0 ≤ y ≤ 2) clusters possess stable H-bonds, but other interactions, such as steric hindrance, should not be ignored when investigating their stabilities and reaction properties. Furthermore, the cluster formation rates of eight Org-SA systems are calculated and found to be different at three levels: (1) systems involved 3-carboxyheptanoic acid (CHA) and phthalic acid (PTA) present high formation rates exceeding 10−3 cm3 s−1, which indicate their high nucleation abilities; (2) systems containing cis-3-caric acid (CRA), limonic acid (LMA) and 3-methyl-1,2,3-butanetricarboxylic acid (MBTCA) have medium formation rate values from 10−6 to 10−4 cm3 s−1; and (3) systems including cis-pinic acid (PNA), 2-methyltetrols (MT) and 2-methylglyceric acid (MGA) present low formation rates less than 10−8 cm3 s−1. Our comparison results of theoretical researches about eight Orgs and SA indicate that OMs are expected to make important contributions to NPF under real atmospheric conditions. Especially, CHA and PTA, the crucial oxidation product of monoterpene and aromatic respectively, represent considerably strong potential abilities to form the critical clusters unexpectedly, and more attention should be paid to their effects on NPF in the real environment. |
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Recently, the correlation between the new particle formation (NPF) events and oxygenated organic molecules (OMs) was observed frequently in forest ambient. However, the understanding of OMs-driven NPF mechanism at the molecular level remains ambiguous. The participation of eight organic compounds (Orgs) together with sulfuric acid (SA) respectively in the initial steps of NPF was investigated by the quantum-chemical calculation and Atmospheric Cluster Dynamics Code (ACDC). Thermodynamic and structural analysis prove that most of (Org) x (SA) y (0 ≤ x ≤ 2; 0 ≤ y ≤ 2) clusters possess stable H-bonds, but other interactions, such as steric hindrance, should not be ignored when investigating their stabilities and reaction properties. Furthermore, the cluster formation rates of eight Org-SA systems are calculated and found to be different at three levels: (1) systems involved 3-carboxyheptanoic acid (CHA) and phthalic acid (PTA) present high formation rates exceeding 10−3 cm3 s−1, which indicate their high nucleation abilities; (2) systems containing cis-3-caric acid (CRA), limonic acid (LMA) and 3-methyl-1,2,3-butanetricarboxylic acid (MBTCA) have medium formation rate values from 10−6 to 10−4 cm3 s−1; and (3) systems including cis-pinic acid (PNA), 2-methyltetrols (MT) and 2-methylglyceric acid (MGA) present low formation rates less than 10−8 cm3 s−1. Our comparison results of theoretical researches about eight Orgs and SA indicate that OMs are expected to make important contributions to NPF under real atmospheric conditions. Especially, CHA and PTA, the crucial oxidation product of monoterpene and aromatic respectively, represent considerably strong potential abilities to form the critical clusters unexpectedly, and more attention should be paid to their effects on NPF in the real environment. |
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Recently, the correlation between the new particle formation (NPF) events and oxygenated organic molecules (OMs) was observed frequently in forest ambient. However, the understanding of OMs-driven NPF mechanism at the molecular level remains ambiguous. The participation of eight organic compounds (Orgs) together with sulfuric acid (SA) respectively in the initial steps of NPF was investigated by the quantum-chemical calculation and Atmospheric Cluster Dynamics Code (ACDC). Thermodynamic and structural analysis prove that most of (Org) x (SA) y (0 ≤ x ≤ 2; 0 ≤ y ≤ 2) clusters possess stable H-bonds, but other interactions, such as steric hindrance, should not be ignored when investigating their stabilities and reaction properties. Furthermore, the cluster formation rates of eight Org-SA systems are calculated and found to be different at three levels: (1) systems involved 3-carboxyheptanoic acid (CHA) and phthalic acid (PTA) present high formation rates exceeding 10−3 cm3 s−1, which indicate their high nucleation abilities; (2) systems containing cis-3-caric acid (CRA), limonic acid (LMA) and 3-methyl-1,2,3-butanetricarboxylic acid (MBTCA) have medium formation rate values from 10−6 to 10−4 cm3 s−1; and (3) systems including cis-pinic acid (PNA), 2-methyltetrols (MT) and 2-methylglyceric acid (MGA) present low formation rates less than 10−8 cm3 s−1. Our comparison results of theoretical researches about eight Orgs and SA indicate that OMs are expected to make important contributions to NPF under real atmospheric conditions. Especially, CHA and PTA, the crucial oxidation product of monoterpene and aromatic respectively, represent considerably strong potential abilities to form the critical clusters unexpectedly, and more attention should be paid to their effects on NPF in the real environment. |
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However, the understanding of OMs-driven NPF mechanism at the molecular level remains ambiguous. The participation of eight organic compounds (Orgs) together with sulfuric acid (SA) respectively in the initial steps of NPF was investigated by the quantum-chemical calculation and Atmospheric Cluster Dynamics Code (ACDC). Thermodynamic and structural analysis prove that most of (Org) x (SA) y (0 ≤ x ≤ 2; 0 ≤ y ≤ 2) clusters possess stable H-bonds, but other interactions, such as steric hindrance, should not be ignored when investigating their stabilities and reaction properties. Furthermore, the cluster formation rates of eight Org-SA systems are calculated and found to be different at three levels: (1) systems involved 3-carboxyheptanoic acid (CHA) and phthalic acid (PTA) present high formation rates exceeding 10−3 cm3 s−1, which indicate their high nucleation abilities; (2) systems containing cis-3-caric acid (CRA), limonic acid (LMA) and 3-methyl-1,2,3-butanetricarboxylic acid (MBTCA) have medium formation rate values from 10−6 to 10−4 cm3 s−1; and (3) systems including cis-pinic acid (PNA), 2-methyltetrols (MT) and 2-methylglyceric acid (MGA) present low formation rates less than 10−8 cm3 s−1. Our comparison results of theoretical researches about eight Orgs and SA indicate that OMs are expected to make important contributions to NPF under real atmospheric conditions. Especially, CHA and PTA, the crucial oxidation product of monoterpene and aromatic respectively, represent considerably strong potential abilities to form the critical clusters unexpectedly, and more attention should be paid to their effects on NPF in the real environment.</subfield></datafield><datafield tag="520" ind1=" " ind2=" "><subfield code="a">Recently, the correlation between the new particle formation (NPF) events and oxygenated organic molecules (OMs) was observed frequently in forest ambient. However, the understanding of OMs-driven NPF mechanism at the molecular level remains ambiguous. The participation of eight organic compounds (Orgs) together with sulfuric acid (SA) respectively in the initial steps of NPF was investigated by the quantum-chemical calculation and Atmospheric Cluster Dynamics Code (ACDC). Thermodynamic and structural analysis prove that most of (Org) x (SA) y (0 ≤ x ≤ 2; 0 ≤ y ≤ 2) clusters possess stable H-bonds, but other interactions, such as steric hindrance, should not be ignored when investigating their stabilities and reaction properties. Furthermore, the cluster formation rates of eight Org-SA systems are calculated and found to be different at three levels: (1) systems involved 3-carboxyheptanoic acid (CHA) and phthalic acid (PTA) present high formation rates exceeding 10−3 cm3 s−1, which indicate their high nucleation abilities; (2) systems containing cis-3-caric acid (CRA), limonic acid (LMA) and 3-methyl-1,2,3-butanetricarboxylic acid (MBTCA) have medium formation rate values from 10−6 to 10−4 cm3 s−1; and (3) systems including cis-pinic acid (PNA), 2-methyltetrols (MT) and 2-methylglyceric acid (MGA) present low formation rates less than 10−8 cm3 s−1. Our comparison results of theoretical researches about eight Orgs and SA indicate that OMs are expected to make important contributions to NPF under real atmospheric conditions. Especially, CHA and PTA, the crucial oxidation product of monoterpene and aromatic respectively, represent considerably strong potential abilities to form the critical clusters unexpectedly, and more attention should be paid to their effects on NPF in the real environment.</subfield></datafield><datafield tag="650" ind1=" " ind2="7"><subfield code="a">New particle formation</subfield><subfield code="2">Elsevier</subfield></datafield><datafield tag="650" ind1=" " ind2="7"><subfield code="a">Formation rate</subfield><subfield code="2">Elsevier</subfield></datafield><datafield tag="650" ind1=" " ind2="7"><subfield code="a">Oxygenated organic molecules</subfield><subfield code="2">Elsevier</subfield></datafield><datafield tag="650" ind1=" " ind2="7"><subfield code="a">Evaporation rate</subfield><subfield code="2">Elsevier</subfield></datafield><datafield tag="650" ind1=" " ind2="7"><subfield code="a">Growth pathway</subfield><subfield code="2">Elsevier</subfield></datafield><datafield tag="700" ind1="1" ind2=" "><subfield code="a">Chen, Xi</subfield><subfield code="4">oth</subfield></datafield><datafield tag="700" ind1="1" ind2=" "><subfield code="a">Yin, Shi</subfield><subfield code="4">oth</subfield></datafield><datafield tag="773" ind1="0" ind2="8"><subfield code="i">Enthalten in</subfield><subfield code="n">Elsevier Science</subfield><subfield code="a">Nassar, M.K. ELSEVIER</subfield><subfield code="t">The internal pudendal artery turnover (IPAT) flap: A new, simple and reliable technique for perineal reconstruction</subfield><subfield code="d">2021</subfield><subfield code="g">Amsterdam [u.a.]</subfield><subfield code="w">(DE-627)ELV00656139X</subfield></datafield><datafield tag="773" ind1="1" ind2="8"><subfield code="g">volume:268</subfield><subfield code="g">year:2022</subfield><subfield code="g">day:1</subfield><subfield code="g">month:01</subfield><subfield code="g">pages:0</subfield></datafield><datafield tag="856" ind1="4" ind2="0"><subfield code="u">https://doi.org/10.1016/j.atmosenv.2021.118817</subfield><subfield code="3">Volltext</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_USEFLAG_U</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_ELV</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">SYSFLAG_U</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">SSG-OLC-PHA</subfield></datafield><datafield tag="936" ind1="b" ind2="k"><subfield code="a">44.65</subfield><subfield code="j">Chirurgie</subfield><subfield code="q">VZ</subfield></datafield><datafield tag="951" ind1=" " ind2=" "><subfield code="a">AR</subfield></datafield><datafield tag="952" ind1=" " ind2=" "><subfield code="d">268</subfield><subfield code="j">2022</subfield><subfield code="b">1</subfield><subfield code="c">0101</subfield><subfield code="h">0</subfield></datafield></record></collection>
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