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https://doi.org/10.5194/egusphere-2025-1371
https://doi.org/10.5194/egusphere-2025-1371
22 Apr 2025
 | 22 Apr 2025

Unveiling the Formation of Atmospheric Oxygenated Organic Molecules under Anthropogenic-Biogenic Interactions: Insights from Binned Positive Matrix Factorization on Multi-Subrange Mass Spectra

Junchao Yin, Yuliang Liu, Wei Nie, Chao Yan, Qiaozhi Zha, Yuanyuan Li, Dafeng Ge, Chong Liu, Caijun Zhu, Xuguang Chi, and Aijun Ding

Abstract. Oxygenated organic molecules (OOMs), which are low-volatility intermediates produced via volatile organic compound (VOC) oxidation, play a critical role in secondary organic aerosol (SOA) formation through gas-to-particle conversion. Despite recent advancements in OOM characterization, the high complexity of OOM spectra poses a significant challenge in the interpretation of their sources. This study investigates OOM formation in a Chinese megacity using an improved analytical strategy that integrates binned Positive Matrix Factorization on multiple sub-range mass spectral analysis. Unlike traditional approaches that handle mass spectral peak identification and chemical interpretation sequentially, our method simultaneously optimizes both, reducing uncertainties associated with peak assignment and chemical analysis. The method successfully identified 2571 OOM molecules and systematically revealed major OOM formation pathways through 11 distinct factors: five daytime photochemical processes, four nighttime NO3-driven oxidation processes, and two regional mixed sources. Notably, this approach enabled the successful separation of sesquiterpene oxidation products in ambient measurements—compounds previously unidentified by traditional full-mass-range analysis due to their weak signals. The method captured dynamic changes in OOM composition under varying environmental conditions, demonstrating the influence of temperature and NOx levels on OOM formation, as well as the volatility-dependent patterns influenced by condensation sink. This improved analytical strategy provides new insights into atmospheric OOM chemistry and establishes a robust foundation for future studies of VOCs-OOMs-SOA conversion mechanisms.

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Journal article(s) based on this preprint

22 Oct 2025
Unveiling the formation of atmospheric oxygenated organic molecules under anthropogenic–biogenic interactions: insights from binned positive matrix factorization on multi-subrange mass spectra
Junchao Yin, Yuliang Liu, Wei Nie, Chao Yan, Qiaozhi Zha, Yuanyuan Li, Dafeng Ge, Chong Liu, Caijun Zhu, Xuguang Chi, and Aijun Ding
Atmos. Chem. Phys., 25, 13279–13297, https://doi.org/10.5194/acp-25-13279-2025,https://doi.org/10.5194/acp-25-13279-2025, 2025
Short summary
Junchao Yin, Yuliang Liu, Wei Nie, Chao Yan, Qiaozhi Zha, Yuanyuan Li, Dafeng Ge, Chong Liu, Caijun Zhu, Xuguang Chi, and Aijun Ding

Interactive discussion

Status: closed

Comment types: AC – author | RC – referee | CC – community | EC – editor | CEC – chief editor | : Report abuse
  • RC1: 'Comment on egusphere-2025-1371', Anonymous Referee #1, 13 May 2025
    • AC1: 'Reply on RC1', W. Nie, 31 Jul 2025
  • RC2: 'Comment on egusphere-2025-1371', Anonymous Referee #2, 22 May 2025
    • AC2: 'Reply on RC2', W. Nie, 31 Jul 2025

Interactive discussion

Status: closed

Comment types: AC – author | RC – referee | CC – community | EC – editor | CEC – chief editor | : Report abuse
  • RC1: 'Comment on egusphere-2025-1371', Anonymous Referee #1, 13 May 2025
    • AC1: 'Reply on RC1', W. Nie, 31 Jul 2025
  • RC2: 'Comment on egusphere-2025-1371', Anonymous Referee #2, 22 May 2025
    • AC2: 'Reply on RC2', W. Nie, 31 Jul 2025

Peer review completion

AR: Author's response | RR: Referee report | ED: Editor decision | EF: Editorial file upload
AR by W. Nie on behalf of the Authors (31 Jul 2025)  Author's response   Author's tracked changes   Manuscript 
ED: Publish as is (23 Aug 2025) by Quanfu He
AR by W. Nie on behalf of the Authors (30 Aug 2025)

Journal article(s) based on this preprint

22 Oct 2025
Unveiling the formation of atmospheric oxygenated organic molecules under anthropogenic–biogenic interactions: insights from binned positive matrix factorization on multi-subrange mass spectra
Junchao Yin, Yuliang Liu, Wei Nie, Chao Yan, Qiaozhi Zha, Yuanyuan Li, Dafeng Ge, Chong Liu, Caijun Zhu, Xuguang Chi, and Aijun Ding
Atmos. Chem. Phys., 25, 13279–13297, https://doi.org/10.5194/acp-25-13279-2025,https://doi.org/10.5194/acp-25-13279-2025, 2025
Short summary
Junchao Yin, Yuliang Liu, Wei Nie, Chao Yan, Qiaozhi Zha, Yuanyuan Li, Dafeng Ge, Chong Liu, Caijun Zhu, Xuguang Chi, and Aijun Ding
Junchao Yin, Yuliang Liu, Wei Nie, Chao Yan, Qiaozhi Zha, Yuanyuan Li, Dafeng Ge, Chong Liu, Caijun Zhu, Xuguang Chi, and Aijun Ding

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Short summary
Atmospheric aerosols affect human health and climate change, yet understanding their formation remains challenging. We studied oxygenated organic molecules, key intermediates, in a complex urban environment in China. Using an advanced analytical method, we identified major chemical pathways and how environmental factors influence them. Our findings enhance the understanding of atmospheric chemistry, offering insights for better environmental and climate policies.
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