Articles | Volume 18, issue 14
https://doi.org/10.5194/amt-18-3547-2025
© Author(s) 2025. This work is distributed under
the Creative Commons Attribution 4.0 License.
the Creative Commons Attribution 4.0 License.
https://doi.org/10.5194/amt-18-3547-2025
© Author(s) 2025. This work is distributed under
the Creative Commons Attribution 4.0 License.
the Creative Commons Attribution 4.0 License.
Interpretation of mass spectra by a Vocus proton-transfer-reaction mass spectrometer (PTR-MS) at an urban site: insights from gas chromatographic pre-separation
Ying Zhang
Department of Environmental Science and Engineering, Jiangwan Campus, Shanghai Key Laboratory of Atmospheric Particle Pollution and Prevention (LAP), Fudan University, Shanghai 200438, China
Yuwei Wang
Department of Environmental Science and Engineering, Jiangwan Campus, Shanghai Key Laboratory of Atmospheric Particle Pollution and Prevention (LAP), Fudan University, Shanghai 200438, China
now at: Department of Earth and Environmental Sciences, University of Manchester, Manchester M13 9PL, UK
Chuang Li
Department of Environmental Science and Engineering, Jiangwan Campus, Shanghai Key Laboratory of Atmospheric Particle Pollution and Prevention (LAP), Fudan University, Shanghai 200438, China
Yueyang Li
Department of Environmental Science and Engineering, Jiangwan Campus, Shanghai Key Laboratory of Atmospheric Particle Pollution and Prevention (LAP), Fudan University, Shanghai 200438, China
Sijia Yin
Department of Environmental Science and Engineering, Jiangwan Campus, Shanghai Key Laboratory of Atmospheric Particle Pollution and Prevention (LAP), Fudan University, Shanghai 200438, China
Megan S. Claflin
Aerodyne Research, Inc., Billerica, Massachusetts 01821, USA
Brian M. Lerner
Aerodyne Research, Inc., Billerica, Massachusetts 01821, USA
Douglas Worsnop
Aerodyne Research, Inc., Billerica, Massachusetts 01821, USA
Department of Environmental Science and Engineering, Jiangwan Campus, Shanghai Key Laboratory of Atmospheric Particle Pollution and Prevention (LAP), Fudan University, Shanghai 200438, China
Shanghai Institute of Pollution Control and Ecological Security, Shanghai 200092, China
IRDR International Center of Excellence on Risk Interconnectivity and Governance on Weather/Climate Extremes Impact and Public Health, Fudan University, Shanghai, China
National Observations and Research Station for Wetland Ecosystems of the Yangtze Estuary, Shanghai, China
Collaborative Innovation Center of Climate Change, Nanjing, 210023, China
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Atmos. Chem. Phys., 24, 7961–7981, https://doi.org/10.5194/acp-24-7961-2024, https://doi.org/10.5194/acp-24-7961-2024, 2024
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Valter Mickwitz, Otso Peräkylä, Frans Graeffe, Douglas Worsnop, and Mikael Ehn
Atmos. Meas. Tech., 18, 1537–1559, https://doi.org/10.5194/amt-18-1537-2025, https://doi.org/10.5194/amt-18-1537-2025, 2025
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Atmos. Meas. Tech., 18, 1013–1038, https://doi.org/10.5194/amt-18-1013-2025, https://doi.org/10.5194/amt-18-1013-2025, 2025
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Mahen Konwar, Benjamin Werden, Edward C. Fortner, Sudarsan Bera, Mercy Varghese, Subharthi Chowdhuri, Kurt Hibert, Philip Croteau, John Jayne, Manjula Canagaratna, Neelam Malap, Sandeep Jayakumar, Shivsai A. Dixit, Palani Murugavel, Duncan Axisa, Darrel Baumgardner, Peter F. DeCarlo, Doug R. Worsnop, and Thara Prabhakaran
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Markku Kulmala, Diego Aliaga, Santeri Tuovinen, Runlong Cai, Heikki Junninen, Chao Yan, Federico Bianchi, Yafang Cheng, Aijun Ding, Douglas R. Worsnop, Tuukka Petäjä, Katrianne Lehtipalo, Pauli Paasonen, and Veli-Matti Kerminen
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Delaney B. Kilgour, Gordon A. Novak, Megan S. Claflin, Brian M. Lerner, and Timothy H. Bertram
Atmos. Chem. Phys., 24, 3729–3742, https://doi.org/10.5194/acp-24-3729-2024, https://doi.org/10.5194/acp-24-3729-2024, 2024
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Laboratory experiments with seawater mimics suggest ozone deposition to the surface ocean can be a source of reactive carbon to the marine atmosphere. We conduct both field and laboratory measurements to assess abiotic VOC composition and yields from ozonolysis of real surface seawater. We show that C5–C11 aldehydes contribute to the observed VOC emission flux. We estimate that VOCs generated by the ozonolysis of surface seawater are competitive with biological VOC production and emission.
Jian Zhao, Valter Mickwitz, Yuanyuan Luo, Ella Häkkinen, Frans Graeffe, Jiangyi Zhang, Hilkka Timonen, Manjula Canagaratna, Jordan E. Krechmer, Qi Zhang, Markku Kulmala, Juha Kangasluoma, Douglas Worsnop, and Mikael Ehn
Atmos. Meas. Tech., 17, 1527–1543, https://doi.org/10.5194/amt-17-1527-2024, https://doi.org/10.5194/amt-17-1527-2024, 2024
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Organic aerosol constitutes a significant portion of atmospheric fine particles but is less characterized due to its vast number of constituents. Recently, we developed a system for online measurements of particle-phase highly oxygenated organic molecules (HOMs). In this work, we systematically characterized the system, developed a new unit to enhance its performance, and demonstrated the essential role of thermograms in inferring volatility and quantifying HOMs in organic aerosols.
Jiangyi Zhang, Jian Zhao, Yuanyuan Luo, Valter Mickwitz, Douglas Worsnop, and Mikael Ehn
Atmos. Chem. Phys., 24, 2885–2911, https://doi.org/10.5194/acp-24-2885-2024, https://doi.org/10.5194/acp-24-2885-2024, 2024
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Due to the intrinsic connection between the formation pathways of O3 and HOMs, the ratio of HOM dimers or non-nitrate monomers to HOM organic nitrates could be used to determine O3 formation regimes. Owing to the fast formation and short lifetimes of HOMs, HOM-based indicating ratios can describe O3 formation in real time. Despite the success of our approach in this simple laboratory system, applicability to the much more complex atmosphere remains to be determined.
Matthew M. Coggon, Chelsea E. Stockwell, Megan S. Claflin, Eva Y. Pfannerstill, Lu Xu, Jessica B. Gilman, Julia Marcantonio, Cong Cao, Kelvin Bates, Georgios I. Gkatzelis, Aaron Lamplugh, Erin F. Katz, Caleb Arata, Eric C. Apel, Rebecca S. Hornbrook, Felix Piel, Francesca Majluf, Donald R. Blake, Armin Wisthaler, Manjula Canagaratna, Brian M. Lerner, Allen H. Goldstein, John E. Mak, and Carsten Warneke
Atmos. Meas. Tech., 17, 801–825, https://doi.org/10.5194/amt-17-801-2024, https://doi.org/10.5194/amt-17-801-2024, 2024
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Mass spectrometry is a tool commonly used to measure air pollutants. This study evaluates measurement artifacts produced in the proton-transfer-reaction mass spectrometer. We provide methods to correct these biases and better measure compounds that degrade air quality.
Diego Aliaga, Santeri Tuovinen, Tinghan Zhang, Janne Lampilahti, Xinyang Li, Lauri Ahonen, Tom Kokkonen, Tuomo Nieminen, Simo Hakala, Pauli Paasonen, Federico Bianchi, Doug Worsnop, Veli-Matti Kerminen, and Markku Kulmala
Aerosol Research, 1, 81–92, https://doi.org/10.5194/ar-1-81-2023, https://doi.org/10.5194/ar-1-81-2023, 2023
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We introduce a novel method for evaluating days when small particles are formed in the atmosphere. Instead of the traditional binary division between event and non-event days, our method, known as "nano ranking analysis", provides a continuous, non-categorical metric for each day. By utilizing data from Hyytiälä, Finland, we show that our approach effectively quantifies these events. This innovative method paves the way for a deeper understanding of the factors influencing particle formation.
Andrew T. Lambe, Bin Bai, Masayuki Takeuchi, Nicole Orwat, Paul M. Zimmerman, Mitchell W. Alton, Nga L. Ng, Andrew Freedman, Megan S. Claflin, Drew R. Gentner, Douglas R. Worsnop, and Pengfei Liu
Atmos. Chem. Phys., 23, 13869–13882, https://doi.org/10.5194/acp-23-13869-2023, https://doi.org/10.5194/acp-23-13869-2023, 2023
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We developed a new method to generate nitrate radicals (NO3) for atmospheric chemistry applications that works by irradiating mixtures containing ceric ammonium nitrate with a UV light at room temperature. It has several advantages over traditional NO3 sources. We characterized its performance over a range of mixture and reactor conditions as well as other irradiation products. Proof of concept was demonstrated by generating and characterizing oxidation products of the β-pinene + NO3 reaction.
Qianqian Gao, Shengqiang Zhu, Kaili Zhou, Jinghao Zhai, Shaodong Chen, Qihuang Wang, Shurong Wang, Jin Han, Xiaohui Lu, Hong Chen, Liwu Zhang, Lin Wang, Zimeng Wang, Xin Yang, Qi Ying, Hongliang Zhang, Jianmin Chen, and Xiaofei Wang
Atmos. Chem. Phys., 23, 13049–13060, https://doi.org/10.5194/acp-23-13049-2023, https://doi.org/10.5194/acp-23-13049-2023, 2023
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Dust is a major source of atmospheric aerosols. Its chemical composition is often assumed to be similar to the parent soil. However, this assumption has not been rigorously verified. Dust aerosols are mainly generated by wind erosion, which may have some chemical selectivity. Mn, Cd and Pb were found to be highly enriched in fine-dust (PM2.5) aerosols. In addition, estimation of heavy metal emissions from dust generation by air quality models may have errors without using proper dust profiles.
Xu-Cheng He, Jiali Shen, Siddharth Iyer, Paxton Juuti, Jiangyi Zhang, Mrisha Koirala, Mikko M. Kytökari, Douglas R. Worsnop, Matti Rissanen, Markku Kulmala, Norbert M. Maier, Jyri Mikkilä, Mikko Sipilä, and Juha Kangasluoma
Atmos. Meas. Tech., 16, 4461–4487, https://doi.org/10.5194/amt-16-4461-2023, https://doi.org/10.5194/amt-16-4461-2023, 2023
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In this study, the upgraded multi-scheme chemical ionisation inlet 2 is presented. Sulfuric acid, hypoiodous acid, iodine, sulfur dioxide, and hydroperoxyl radicals are calibrated, and the improved ion optics allow us to detect sulfuric acid and iodine-containing molecules at as low as a few parts per quadrillion by volume. Additionally, we confirm the reliable detection of iodic acid using both the nitrate and bromide chemical ionisation methods under atmospherically relevant conditions.
Lucía Caudillo, Mihnea Surdu, Brandon Lopez, Mingyi Wang, Markus Thoma, Steffen Bräkling, Angela Buchholz, Mario Simon, Andrea C. Wagner, Tatjana Müller, Manuel Granzin, Martin Heinritzi, Antonio Amorim, David M. Bell, Zoé Brasseur, Lubna Dada, Jonathan Duplissy, Henning Finkenzeller, Xu-Cheng He, Houssni Lamkaddam, Naser G. A. Mahfouz, Vladimir Makhmutov, Hanna E. Manninen, Guillaume Marie, Ruby Marten, Roy L. Mauldin, Bernhard Mentler, Antti Onnela, Tuukka Petäjä, Joschka Pfeifer, Maxim Philippov, Ana A. Piedehierro, Birte Rörup, Wiebke Scholz, Jiali Shen, Dominik Stolzenburg, Christian Tauber, Ping Tian, António Tomé, Nsikanabasi Silas Umo, Dongyu S. Wang, Yonghong Wang, Stefan K. Weber, André Welti, Marcel Zauner-Wieczorek, Urs Baltensperger, Richard C. Flagan, Armin Hansel, Jasper Kirkby, Markku Kulmala, Katrianne Lehtipalo, Douglas R. Worsnop, Imad El Haddad, Neil M. Donahue, Alexander L. Vogel, Andreas Kürten, and Joachim Curtius
Atmos. Chem. Phys., 23, 6613–6631, https://doi.org/10.5194/acp-23-6613-2023, https://doi.org/10.5194/acp-23-6613-2023, 2023
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In this study, we present an intercomparison of four different techniques for measuring the chemical composition of nanoparticles. The intercomparison was performed based on the observed chemical composition, calculated volatility, and analysis of the thermograms. We found that the methods generally agree on the most important compounds that are found in the nanoparticles. However, they do see different parts of the organic spectrum. We suggest potential explanations for these differences.
Daniel John Katz, Aroob Abdelhamid, Harald Stark, Manjula R. Canagaratna, Douglas R. Worsnop, and Eleanor C. Browne
Atmos. Chem. Phys., 23, 5567–5585, https://doi.org/10.5194/acp-23-5567-2023, https://doi.org/10.5194/acp-23-5567-2023, 2023
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Ambient ion chemical composition measurements provide insight into trace gases that are precursors for the formation and growth of new aerosol particles. We use a new data analysis approach to increase the chemical information from these measurements. We analyze results from an agricultural region, a little studied land use type that is ~41 % of global land use, and find that the composition of gases important for aerosol formation and growth differs significantly from that in other ecosystems.
Qiaozhi Zha, Wei Huang, Diego Aliaga, Otso Peräkylä, Liine Heikkinen, Alkuin Maximilian Koenig, Cheng Wu, Joonas Enroth, Yvette Gramlich, Jing Cai, Samara Carbone, Armin Hansel, Tuukka Petäjä, Markku Kulmala, Douglas Worsnop, Victoria Sinclair, Radovan Krejci, Marcos Andrade, Claudia Mohr, and Federico Bianchi
Atmos. Chem. Phys., 23, 4559–4576, https://doi.org/10.5194/acp-23-4559-2023, https://doi.org/10.5194/acp-23-4559-2023, 2023
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We investigate the chemical composition of atmospheric cluster ions from January to May 2018 at the high-altitude research station Chacaltaya (5240 m a.s.l.) in the Bolivian Andes. With state-of-the-art mass spectrometers and air mass history analysis, the measured cluster ions exhibited distinct diurnal and seasonal patterns, some of which contributed to new particle formation. Our study will improve the understanding of atmospheric ions and their role in high-altitude new particle formation.
Michael P. Vermeuel, Gordon A. Novak, Delaney B. Kilgour, Megan S. Claflin, Brian M. Lerner, Amy M. Trowbridge, Jonathan Thom, Patricia A. Cleary, Ankur R. Desai, and Timothy H. Bertram
Atmos. Chem. Phys., 23, 4123–4148, https://doi.org/10.5194/acp-23-4123-2023, https://doi.org/10.5194/acp-23-4123-2023, 2023
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Reactive carbon species emitted from natural sources such as forests play an important role in the chemistry of the atmosphere. Predictions of these emissions are based on plant responses during the growing season and do not consider potential effects from seasonal changes. To address this, we made measurements of reactive carbon over a forest during the summer to autumn transition. We learned that observed concentrations and emissions for some key species are larger than model predictions.
Ella Häkkinen, Jian Zhao, Frans Graeffe, Nicolas Fauré, Jordan E. Krechmer, Douglas Worsnop, Hilkka Timonen, Mikael Ehn, and Juha Kangasluoma
Atmos. Meas. Tech., 16, 1705–1721, https://doi.org/10.5194/amt-16-1705-2023, https://doi.org/10.5194/amt-16-1705-2023, 2023
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Highly oxygenated compounds contribute to the formation and growth of atmospheric organic aerosol and thus impact the global climate. Knowledge of their transformations and fate after condensing into the particle phase has been limited by the lack of suitable detection techniques. Here, we present an online method for measuring highly oxygenated compounds from organic aerosol. We evaluate the performance of the method and demonstrate that the method is applicable to different organic species.
Jian Zhao, Ella Häkkinen, Frans Graeffe, Jordan E. Krechmer, Manjula R. Canagaratna, Douglas R. Worsnop, Juha Kangasluoma, and Mikael Ehn
Atmos. Chem. Phys., 23, 3707–3730, https://doi.org/10.5194/acp-23-3707-2023, https://doi.org/10.5194/acp-23-3707-2023, 2023
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Based on the combined measurements of gas- and particle-phase highly oxygenated organic molecules (HOMs) from α-pinene ozonolysis, enhancement of dimers in particles was observed. We conducted experiments wherein the dimer to monomer (D / M) ratios of HOMs in the gas phase were modified (adding CO / NO) to investigate the effects of the corresponding D / M ratios in the particles. These results are important for a better understanding of secondary organic aerosol formation in the atmosphere.
Yizhen Wu, Juntao Huo, Gan Yang, Yuwei Wang, Lihong Wang, Shijian Wu, Lei Yao, Qingyan Fu, and Lin Wang
Atmos. Chem. Phys., 23, 2997–3014, https://doi.org/10.5194/acp-23-2997-2023, https://doi.org/10.5194/acp-23-2997-2023, 2023
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Based on a field campaign in a suburban area of Shanghai during summer 2021, we calculated formaldehyde (HCHO) production rates from 24 volatile organic compounds (VOCs). In addition, HCHO photolysis, reactions with OH radicals, and dry deposition were considered for the estimation of HCHO loss rates. Our results reveal the key precursors of HCHO and suggest that HCHO wet deposition may be an important loss term on cloudy and rainy days, which needs to be further investigated.
Chao Yan, Yicheng Shen, Dominik Stolzenburg, Lubna Dada, Ximeng Qi, Simo Hakala, Anu-Maija Sundström, Yishuo Guo, Antti Lipponen, Tom V. Kokkonen, Jenni Kontkanen, Runlong Cai, Jing Cai, Tommy Chan, Liangduo Chen, Biwu Chu, Chenjuan Deng, Wei Du, Xiaolong Fan, Xu-Cheng He, Juha Kangasluoma, Joni Kujansuu, Mona Kurppa, Chang Li, Yiran Li, Zhuohui Lin, Yiliang Liu, Yuliang Liu, Yiqun Lu, Wei Nie, Jouni Pulliainen, Xiaohui Qiao, Yonghong Wang, Yifan Wen, Ye Wu, Gan Yang, Lei Yao, Rujing Yin, Gen Zhang, Shaojun Zhang, Feixue Zheng, Ying Zhou, Antti Arola, Johanna Tamminen, Pauli Paasonen, Yele Sun, Lin Wang, Neil M. Donahue, Yongchun Liu, Federico Bianchi, Kaspar R. Daellenbach, Douglas R. Worsnop, Veli-Matti Kerminen, Tuukka Petäjä, Aijun Ding, Jingkun Jiang, and Markku Kulmala
Atmos. Chem. Phys., 22, 12207–12220, https://doi.org/10.5194/acp-22-12207-2022, https://doi.org/10.5194/acp-22-12207-2022, 2022
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Atmospheric new particle formation (NPF) is a dominant source of atmospheric ultrafine particles. In urban environments, traffic emissions are a major source of primary pollutants, but their contribution to NPF remains under debate. During the COVID-19 lockdown, traffic emissions were significantly reduced, providing a unique chance to examine their relevance to NPF. Based on our comprehensive measurements, we demonstrate that traffic emissions alone are not able to explain the NPF in Beijing.
Sungwoo Kim, Brian M. Lerner, Donna T. Sueper, and Gabriel Isaacman-VanWertz
Atmos. Meas. Tech., 15, 5061–5075, https://doi.org/10.5194/amt-15-5061-2022, https://doi.org/10.5194/amt-15-5061-2022, 2022
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Atmospheric samples can be complex, and current analysis methods often require substantial human interaction and discard potentially important information. To improve analysis accuracy and computational cost of these large datasets, we developed an automated analysis algorithm that utilizes a factor analysis approach coupled with a decision tree. We demonstrate that this algorithm cataloged approximately 10 times more analytes compared to a manual analysis and in a quarter of the analysis time.
Siman Ren, Lei Yao, Yuwei Wang, Gan Yang, Yiliang Liu, Yueyang Li, Yiqun Lu, Lihong Wang, and Lin Wang
Atmos. Chem. Phys., 22, 9283–9297, https://doi.org/10.5194/acp-22-9283-2022, https://doi.org/10.5194/acp-22-9283-2022, 2022
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We improved the empirical functions between volatility and chemical formulas of organic aerosols based on lab experiments and field observations. It was found that organic compounds in ambient aerosols can be divided into two groups according to their O / C ratios and that there should be specialized volatility parameterizations for different O / C organic compounds.
Lisa J. Beck, Siegfried Schobesberger, Heikki Junninen, Janne Lampilahti, Antti Manninen, Lubna Dada, Katri Leino, Xu-Cheng He, Iida Pullinen, Lauriane L. J. Quéléver, Anna Franck, Pyry Poutanen, Daniela Wimmer, Frans Korhonen, Mikko Sipilä, Mikael Ehn, Douglas R. Worsnop, Veli-Matti Kerminen, Tuukka Petäjä, Markku Kulmala, and Jonathan Duplissy
Atmos. Chem. Phys., 22, 8547–8577, https://doi.org/10.5194/acp-22-8547-2022, https://doi.org/10.5194/acp-22-8547-2022, 2022
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The presented article introduces an overview of atmospheric ions and their composition above the boreal forest. We provide the results of an extensive airborne measurement campaign with an air ion mass spectrometer and particle measurements, showing their diurnal evolution within the boundary layer and free troposphere. In addition, we compare the airborne dataset with the co-located data from the ground at SMEAR II station, Finland.
Lauriane L. J. Quéléver, Lubna Dada, Eija Asmi, Janne Lampilahti, Tommy Chan, Jonathan E. Ferrara, Gustavo E. Copes, German Pérez-Fogwill, Luis Barreira, Minna Aurela, Douglas R. Worsnop, Tuija Jokinen, and Mikko Sipilä
Atmos. Chem. Phys., 22, 8417–8437, https://doi.org/10.5194/acp-22-8417-2022, https://doi.org/10.5194/acp-22-8417-2022, 2022
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Understanding how aerosols form is crucial for correctly modeling the climate and improving future predictions. This work provides extensive analysis of aerosol particles and their precursors at Marambio Station, Antarctic Peninsula. We show that sulfuric acid, ammonia, and dimethylamine are key contributors to the frequent new particle formation events observed at the site. We discuss nucleation mechanisms and highlight the need for targeted measurement to fully understand these processes.
Mikko Sipilä, Nina Sarnela, Kimmo Neitola, Totti Laitinen, Deniz Kemppainen, Lisa Beck, Ella-Maria Duplissy, Salla Kuittinen, Tuuli Lehmusjärvi, Janne Lampilahti, Veli-Matti Kerminen, Katrianne Lehtipalo, Pasi P. Aalto, Petri Keronen, Erkki Siivola, Pekka A. Rantala, Douglas R. Worsnop, Markku Kulmala, Tuija Jokinen, and Tuukka Petäjä
Atmos. Chem. Phys., 21, 17559–17576, https://doi.org/10.5194/acp-21-17559-2021, https://doi.org/10.5194/acp-21-17559-2021, 2021
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Metallurgical industry in Kola peninsula is a large source of air pollution in the (sub-)Arctic domain. Sulfur dioxide emissions from the ore smelters are transported across large areas. We investigated sulfur dioxide and its transformation to sulfuric acid aerosol particles during winter months in Finnish Lapland, close to Kola industrial areas. We observed intense formation of new aerosol particles despite the low solar radiation intensity, often required for new particle formation elsewhere.
Chenyang Bi, Jordan E. Krechmer, Graham O. Frazier, Wen Xu, Andrew T. Lambe, Megan S. Claflin, Brian M. Lerner, John T. Jayne, Douglas R. Worsnop, Manjula R. Canagaratna, and Gabriel Isaacman-VanWertz
Atmos. Meas. Tech., 14, 6835–6850, https://doi.org/10.5194/amt-14-6835-2021, https://doi.org/10.5194/amt-14-6835-2021, 2021
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Iodide-adduct chemical ionization mass spectrometry (I-CIMS) has been widely used to analyze airborne organics. In this study, I-CIMS sensitivities of isomers within a formula are found to generally vary by 1 and up to 2 orders of magnitude. Comparisons between measured and predicted moles, obtained using a voltage-scanning calibration approach, show that predictions for individual compounds or formulas might carry high uncertainty, yet the summed moles of analytes agree reasonably well.
Yuliang Liu, Wei Nie, Yuanyuan Li, Dafeng Ge, Chong Liu, Zhengning Xu, Liangduo Chen, Tianyi Wang, Lei Wang, Peng Sun, Ximeng Qi, Jiaping Wang, Zheng Xu, Jian Yuan, Chao Yan, Yanjun Zhang, Dandan Huang, Zhe Wang, Neil M. Donahue, Douglas Worsnop, Xuguang Chi, Mikael Ehn, and Aijun Ding
Atmos. Chem. Phys., 21, 14789–14814, https://doi.org/10.5194/acp-21-14789-2021, https://doi.org/10.5194/acp-21-14789-2021, 2021
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Oxygenated organic molecules (OOMs) are crucial intermediates linking volatile organic compounds to secondary organic aerosols. Using nitrate time-of-flight chemical ionization mass spectrometry in eastern China, we performed positive matrix factorization (PMF) on binned OOM mass spectra. We reconstructed over 1000 molecules from 14 derived PMF factors and identified about 72 % of the observed OOMs as organic nitrates, highlighting the decisive role of NOx in OOM formation in populated areas.
Mao Xiao, Christopher R. Hoyle, Lubna Dada, Dominik Stolzenburg, Andreas Kürten, Mingyi Wang, Houssni Lamkaddam, Olga Garmash, Bernhard Mentler, Ugo Molteni, Andrea Baccarini, Mario Simon, Xu-Cheng He, Katrianne Lehtipalo, Lauri R. Ahonen, Rima Baalbaki, Paulus S. Bauer, Lisa Beck, David Bell, Federico Bianchi, Sophia Brilke, Dexian Chen, Randall Chiu, António Dias, Jonathan Duplissy, Henning Finkenzeller, Hamish Gordon, Victoria Hofbauer, Changhyuk Kim, Theodore K. Koenig, Janne Lampilahti, Chuan Ping Lee, Zijun Li, Huajun Mai, Vladimir Makhmutov, Hanna E. Manninen, Ruby Marten, Serge Mathot, Roy L. Mauldin, Wei Nie, Antti Onnela, Eva Partoll, Tuukka Petäjä, Joschka Pfeifer, Veronika Pospisilova, Lauriane L. J. Quéléver, Matti Rissanen, Siegfried Schobesberger, Simone Schuchmann, Yuri Stozhkov, Christian Tauber, Yee Jun Tham, António Tomé, Miguel Vazquez-Pufleau, Andrea C. Wagner, Robert Wagner, Yonghong Wang, Lena Weitz, Daniela Wimmer, Yusheng Wu, Chao Yan, Penglin Ye, Qing Ye, Qiaozhi Zha, Xueqin Zhou, Antonio Amorim, Ken Carslaw, Joachim Curtius, Armin Hansel, Rainer Volkamer, Paul M. Winkler, Richard C. Flagan, Markku Kulmala, Douglas R. Worsnop, Jasper Kirkby, Neil M. Donahue, Urs Baltensperger, Imad El Haddad, and Josef Dommen
Atmos. Chem. Phys., 21, 14275–14291, https://doi.org/10.5194/acp-21-14275-2021, https://doi.org/10.5194/acp-21-14275-2021, 2021
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Experiments at CLOUD show that in polluted environments new particle formation (NPF) is largely driven by the formation of sulfuric acid–base clusters, stabilized by amines, high ammonia concentrations or lower temperatures. While oxidation products of aromatics can nucleate, they play a minor role in urban NPF. Our experiments span 4 orders of magnitude variation of observed NPF rates in ambient conditions. We provide a framework based on NPF and growth rates to interpret ambient observations.
Xiaolong Fan, Jing Cai, Chao Yan, Jian Zhao, Yishuo Guo, Chang Li, Kaspar R. Dällenbach, Feixue Zheng, Zhuohui Lin, Biwu Chu, Yonghong Wang, Lubna Dada, Qiaozhi Zha, Wei Du, Jenni Kontkanen, Theo Kurtén, Siddhart Iyer, Joni T. Kujansuu, Tuukka Petäjä, Douglas R. Worsnop, Veli-Matti Kerminen, Yongchun Liu, Federico Bianchi, Yee Jun Tham, Lei Yao, and Markku Kulmala
Atmos. Chem. Phys., 21, 11437–11452, https://doi.org/10.5194/acp-21-11437-2021, https://doi.org/10.5194/acp-21-11437-2021, 2021
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We observed significant concentrations of gaseous HBr and HCl throughout the winter and springtime in urban Beijing, China. Our results indicate that gaseous HCl and HBr are most likely originated from anthropogenic emissions such as burning activities, and the gas–aerosol partitioning may play a crucial role in contributing to the gaseous HCl and HBr. These observations suggest that there is an important recycling pathway of halogen species in inland megacities.
Liine Heikkinen, Mikko Äijälä, Kaspar R. Daellenbach, Gang Chen, Olga Garmash, Diego Aliaga, Frans Graeffe, Meri Räty, Krista Luoma, Pasi Aalto, Markku Kulmala, Tuukka Petäjä, Douglas Worsnop, and Mikael Ehn
Atmos. Chem. Phys., 21, 10081–10109, https://doi.org/10.5194/acp-21-10081-2021, https://doi.org/10.5194/acp-21-10081-2021, 2021
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In many locations worldwide aerosol particles have been shown to be made up of organic aerosol (OA). The boreal forest is a region where aerosol particles possess a high OA mass fraction. Here, we studied OA composition using the longest time series of OA composition ever obtained from a boreal environment. For this purpose, we tested a new analysis framework and discovered that most of the OA was highly oxidized, with strong seasonal behaviour reflecting different sources in summer and winter.
Mingyi Wang, Xu-Cheng He, Henning Finkenzeller, Siddharth Iyer, Dexian Chen, Jiali Shen, Mario Simon, Victoria Hofbauer, Jasper Kirkby, Joachim Curtius, Norbert Maier, Theo Kurtén, Douglas R. Worsnop, Markku Kulmala, Matti Rissanen, Rainer Volkamer, Yee Jun Tham, Neil M. Donahue, and Mikko Sipilä
Atmos. Meas. Tech., 14, 4187–4202, https://doi.org/10.5194/amt-14-4187-2021, https://doi.org/10.5194/amt-14-4187-2021, 2021
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Atmospheric iodine species are often short-lived with low abundance and have thus been challenging to measure. We show that the bromide chemical ionization mass spectrometry, compatible with both the atmospheric pressure and reduced pressure interfaces, can simultaneously detect various gas-phase iodine species. Combining calibration experiments and quantum chemical calculations, we quantify detection sensitivities to HOI, HIO3, I2, and H2SO4, giving detection limits down to < 106 molec. cm-3.
Chenshuo Ye, Bin Yuan, Yi Lin, Zelong Wang, Weiwei Hu, Tiange Li, Wei Chen, Caihong Wu, Chaomin Wang, Shan Huang, Jipeng Qi, Baolin Wang, Chen Wang, Wei Song, Xinming Wang, E Zheng, Jordan E. Krechmer, Penglin Ye, Zhanyi Zhang, Xuemei Wang, Douglas R. Worsnop, and Min Shao
Atmos. Chem. Phys., 21, 8455–8478, https://doi.org/10.5194/acp-21-8455-2021, https://doi.org/10.5194/acp-21-8455-2021, 2021
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We performed measurements of gaseous and particulate organic compounds using a state-of-the-art online mass spectrometer in urban air. Using the dataset, we provide a holistic chemical characterization of oxygenated organic compounds in the polluted urban atmosphere, which can serve as a reference for the future field measurements of organic compounds in cities.
Chenyang Bi, Jordan E. Krechmer, Graham O. Frazier, Wen Xu, Andrew T. Lambe, Megan S. Claflin, Brian M. Lerner, John T. Jayne, Douglas R. Worsnop, Manjula R. Canagaratna, and Gabriel Isaacman-VanWertz
Atmos. Meas. Tech., 14, 3895–3907, https://doi.org/10.5194/amt-14-3895-2021, https://doi.org/10.5194/amt-14-3895-2021, 2021
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Measurement techniques that can achieve molecular characterizations are necessary to understand the differences of fate and transport within isomers produced in the atmospheric oxidation process. In this work, we develop an instrument to conduct isomer-resolved measurements of particle-phase organics. We assess the number of isomers per chemical formula in atmospherically relevant samples and examine the feasibility of extending the use of an existing instrument to a broader range of analytes.
Weiqi Xu, Masayuki Takeuchi, Chun Chen, Yanmei Qiu, Conghui Xie, Wanyun Xu, Nan Ma, Douglas R. Worsnop, Nga Lee Ng, and Yele Sun
Atmos. Meas. Tech., 14, 3693–3705, https://doi.org/10.5194/amt-14-3693-2021, https://doi.org/10.5194/amt-14-3693-2021, 2021
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Here we developed a method for estimation of particulate organic nitrates (pON) from the measurements of a high-resolution aerosol mass spectrometer coupled with a thermodenuder based on the volatility differences between inorganic nitrate and pON. The results generally had improvements in reducing negative values due to the influences of a high concentration of inorganic nitrate and a constant ratio of NO+ to NO2+ of organic nitrates (RON).
Weiqi Xu, Chun Chen, Yanmei Qiu, Ying Li, Zhiqiang Zhang, Eleni Karnezi, Spyros N. Pandis, Conghui Xie, Zhijie Li, Jiaxing Sun, Nan Ma, Wanyun Xu, Pingqing Fu, Zifa Wang, Jiang Zhu, Douglas R. Worsnop, Nga Lee Ng, and Yele Sun
Atmos. Chem. Phys., 21, 5463–5476, https://doi.org/10.5194/acp-21-5463-2021, https://doi.org/10.5194/acp-21-5463-2021, 2021
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Here aerosol volatility and viscosity at a rural site (Gucheng) and an urban site (Beijing) in the North China Plain (NCP) were investigated in summer and winter. Our results showed that organic aerosol (OA) in winter in the NCP is more volatile than that in summer due to enhanced primary emissions from coal combustion and biomass burning. We also found that OA existed mainly as a solid in winter in Beijing but as semisolids in Beijing in summer and Gucheng in winter.
Haiyan Li, Manjula R. Canagaratna, Matthieu Riva, Pekka Rantala, Yanjun Zhang, Steven Thomas, Liine Heikkinen, Pierre-Marie Flaud, Eric Villenave, Emilie Perraudin, Douglas Worsnop, Markku Kulmala, Mikael Ehn, and Federico Bianchi
Atmos. Chem. Phys., 21, 4123–4147, https://doi.org/10.5194/acp-21-4123-2021, https://doi.org/10.5194/acp-21-4123-2021, 2021
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For the first time, we performed binPMF analysis on the complex mass spectra acquired with the Vocus PTR-TOF in two European pine forests and identified various primary emission sources and secondary oxidation processes of atmospheric organic vapors, i.e., terpenes and their oxidation products, with varying oxidation degrees. Further insights were gained regarding monoterpene and sesquiterpene reactions based on the interpretation results.
Runlong Cai, Chao Yan, Dongsen Yang, Rujing Yin, Yiqun Lu, Chenjuan Deng, Yueyun Fu, Jiaxin Ruan, Xiaoxiao Li, Jenni Kontkanen, Qiang Zhang, Juha Kangasluoma, Yan Ma, Jiming Hao, Douglas R. Worsnop, Federico Bianchi, Pauli Paasonen, Veli-Matti Kerminen, Yongchun Liu, Lin Wang, Jun Zheng, Markku Kulmala, and Jingkun Jiang
Atmos. Chem. Phys., 21, 2457–2468, https://doi.org/10.5194/acp-21-2457-2021, https://doi.org/10.5194/acp-21-2457-2021, 2021
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Based on long-term measurements, we discovered that the collision of H2SO4–amine clusters is the governing mechanism that initializes fast new particle formation in the polluted atmospheric environment of urban Beijing. The mechanism and the governing factors for H2SO4–amine nucleation in the polluted atmosphere are quantitatively investigated in this study.
Runlong Cai, Chenxi Li, Xu-Cheng He, Chenjuan Deng, Yiqun Lu, Rujing Yin, Chao Yan, Lin Wang, Jingkun Jiang, Markku Kulmala, and Juha Kangasluoma
Atmos. Chem. Phys., 21, 2287–2304, https://doi.org/10.5194/acp-21-2287-2021, https://doi.org/10.5194/acp-21-2287-2021, 2021
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Growth rate determines the survival probability of atmospheric new particles and hence their impacts. We clarify the impacts of coagulation on the values retrieved by the appearance time method, which is widely used for growth rate evaluation. A new formula with coagulation correction is proposed based on derivation and tested using both models and atmospheric data. We show that the sub-3 nm particle growth rate in polluted environments may be overestimated without the coagulation correction.
Arttu Ylisirniö, Luis M. F. Barreira, Iida Pullinen, Angela Buchholz, John Jayne, Jordan E. Krechmer, Douglas R. Worsnop, Annele Virtanen, and Siegfried Schobesberger
Atmos. Meas. Tech., 14, 355–367, https://doi.org/10.5194/amt-14-355-2021, https://doi.org/10.5194/amt-14-355-2021, 2021
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FIGAERO-ToF-CIMS enables online volatility measurements of chemical compounds in ambient aerosols. Previously published volatility calibration results however differ from each other significantly. In this study we investigate the reason for this discrepancy. We found a major source of error in the widely used syringe deposition method and propose a new method for volatility calibration by using atomized calibration compounds.
Megan S. Claflin, Demetrios Pagonis, Zachary Finewax, Anne V. Handschy, Douglas A. Day, Wyatt L. Brown, John T. Jayne, Douglas R. Worsnop, Jose L. Jimenez, Paul J. Ziemann, Joost de Gouw, and Brian M. Lerner
Atmos. Meas. Tech., 14, 133–152, https://doi.org/10.5194/amt-14-133-2021, https://doi.org/10.5194/amt-14-133-2021, 2021
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We have developed a field-deployable gas chromatograph with thermal desorption preconcentration and detector switching between two high-resolution mass spectrometers for in situ measurements of volatile organic compounds (VOCs). This system combines chromatography with both proton transfer and electron ionization to offer fast time response and continuous molecular speciation. This technique was applied during the 2018 ATHLETIC campaign to characterize VOC emissions in an indoor environment.
Liqing Hao, Eetu Kari, Ari Leskinen, Douglas R. Worsnop, and Annele Virtanen
Atmos. Chem. Phys., 20, 14393–14405, https://doi.org/10.5194/acp-20-14393-2020, https://doi.org/10.5194/acp-20-14393-2020, 2020
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Our work presents the observational results of secondary organic aerosol (SOA) formation in the presence of ammonia. The particle-phase ammonium was continuously produced even after SOA formation had ceased. The gas-phase organic acids were observed to contribute to the formed particle-phase ammonium salts. This study suggests that the presence of ammonia may change the mass and chemical composition of large-size SOA particles and can potentially alter the aerosol impact on climate change.
Jing Cai, Biwu Chu, Lei Yao, Chao Yan, Liine M. Heikkinen, Feixue Zheng, Chang Li, Xiaolong Fan, Shaojun Zhang, Daoyuan Yang, Yonghong Wang, Tom V. Kokkonen, Tommy Chan, Ying Zhou, Lubna Dada, Yongchun Liu, Hong He, Pauli Paasonen, Joni T. Kujansuu, Tuukka Petäjä, Claudia Mohr, Juha Kangasluoma, Federico Bianchi, Yele Sun, Philip L. Croteau, Douglas R. Worsnop, Veli-Matti Kerminen, Wei Du, Markku Kulmala, and Kaspar R. Daellenbach
Atmos. Chem. Phys., 20, 12721–12740, https://doi.org/10.5194/acp-20-12721-2020, https://doi.org/10.5194/acp-20-12721-2020, 2020
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By applying both OA PMF and size PMF at the same urban measurement site in Beijing, similar particle source types, including vehicular emissions, cooking emissions and secondary formation-related sources, were resolved by both frameworks and agreed well. It is also found that in the absence of new particle formation, vehicular and cooking emissions dominate the particle number concentration, while secondary particulate matter governed PM2.5 mass during spring and summer in Beijing.
Martin Heinritzi, Lubna Dada, Mario Simon, Dominik Stolzenburg, Andrea C. Wagner, Lukas Fischer, Lauri R. Ahonen, Stavros Amanatidis, Rima Baalbaki, Andrea Baccarini, Paulus S. Bauer, Bernhard Baumgartner, Federico Bianchi, Sophia Brilke, Dexian Chen, Randall Chiu, Antonio Dias, Josef Dommen, Jonathan Duplissy, Henning Finkenzeller, Carla Frege, Claudia Fuchs, Olga Garmash, Hamish Gordon, Manuel Granzin, Imad El Haddad, Xucheng He, Johanna Helm, Victoria Hofbauer, Christopher R. Hoyle, Juha Kangasluoma, Timo Keber, Changhyuk Kim, Andreas Kürten, Houssni Lamkaddam, Tiia M. Laurila, Janne Lampilahti, Chuan Ping Lee, Katrianne Lehtipalo, Markus Leiminger, Huajun Mai, Vladimir Makhmutov, Hanna Elina Manninen, Ruby Marten, Serge Mathot, Roy Lee Mauldin, Bernhard Mentler, Ugo Molteni, Tatjana Müller, Wei Nie, Tuomo Nieminen, Antti Onnela, Eva Partoll, Monica Passananti, Tuukka Petäjä, Joschka Pfeifer, Veronika Pospisilova, Lauriane L. J. Quéléver, Matti P. Rissanen, Clémence Rose, Siegfried Schobesberger, Wiebke Scholz, Kay Scholze, Mikko Sipilä, Gerhard Steiner, Yuri Stozhkov, Christian Tauber, Yee Jun Tham, Miguel Vazquez-Pufleau, Annele Virtanen, Alexander L. Vogel, Rainer Volkamer, Robert Wagner, Mingyi Wang, Lena Weitz, Daniela Wimmer, Mao Xiao, Chao Yan, Penglin Ye, Qiaozhi Zha, Xueqin Zhou, Antonio Amorim, Urs Baltensperger, Armin Hansel, Markku Kulmala, António Tomé, Paul M. Winkler, Douglas R. Worsnop, Neil M. Donahue, Jasper Kirkby, and Joachim Curtius
Atmos. Chem. Phys., 20, 11809–11821, https://doi.org/10.5194/acp-20-11809-2020, https://doi.org/10.5194/acp-20-11809-2020, 2020
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With experiments performed at CLOUD, we show how isoprene interferes in monoterpene oxidation via RO2 termination at atmospherically relevant concentrations. This interference shifts the distribution of highly oxygenated organic molecules (HOMs) away from C20 class dimers towards C15 class dimers, which subsequently reduces both biogenic nucleation and early growth rates. Our results may help to understand the absence of new-particle formation in isoprene-rich environments.
Archit Mehra, Jordan E. Krechmer, Andrew Lambe, Chinmoy Sarkar, Leah Williams, Farzaneh Khalaj, Alex Guenther, John Jayne, Hugh Coe, Douglas Worsnop, Celia Faiola, and Manjula Canagaratna
Atmos. Chem. Phys., 20, 10953–10965, https://doi.org/10.5194/acp-20-10953-2020, https://doi.org/10.5194/acp-20-10953-2020, 2020
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Emissions of volatile organic compounds (VOCs) from plants are important for tropospheric ozone and secondary organic aerosol (SOA) formation. Real plant emissions are much more diverse than the few proxies widely used for studies of plant SOA. Here we present the first study of SOA from Californian sage plants and the oxygenated monoterpenes representing their major emissions. We identify SOA products and show the importance of the formation of highly oxygenated organic molecules and oligomers.
Tommy Chan, Runlong Cai, Lauri R. Ahonen, Yiliang Liu, Ying Zhou, Joonas Vanhanen, Lubna Dada, Yan Chao, Yongchun Liu, Lin Wang, Markku Kulmala, and Juha Kangasluoma
Atmos. Meas. Tech., 13, 4885–4898, https://doi.org/10.5194/amt-13-4885-2020, https://doi.org/10.5194/amt-13-4885-2020, 2020
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Using a particle size magnifier (PSM; Airmodus, Finland), we determined the particle size distribution using four inversion methods and compared each method to the others to establish their strengths and weaknesses. Furthermore, we provided a step-by-step procedure on how to invert measured data using the PSM. Finally, we provided recommendations, code and data related to the data inversion. This is an important paper, as no operating procedure exists regarding how to process measured PSM data.
Lu Chen, Lingdong Kong, Songying Tong, Kejing Yang, Shengyan Jin, Chao Wang, and Lin Wang
Atmos. Chem. Phys. Discuss., https://doi.org/10.5194/acp-2020-806, https://doi.org/10.5194/acp-2020-806, 2020
Revised manuscript not accepted
Short summary
Short summary
The role of nitrate aerosol in atmospheric SO2 oxidation remains unclear. We investigated the effects of nitrate on the aqueous phase oxidation of bisulfite under different conditions. We found the important roles of nitrate photolysis, pH, ammonium and O2 in the oxidation of bisulfite to sulfate, the generation of H2O2, and the synergism with halogen chemistry. These results provide a new insight into the heterogeneous aqueous phase oxidation of SO2 in cloud and fog droplets and haze particles.
Cited articles
Abudumutailifu, M., Shang, X., Wang, L., Zhang, M., Kang, H., Chen, Y., Li, L., Ju, R., Li, B., Ouyang, H., Tang, X., Li, C., Wang, L., Wang, X., George, C., Rudich, Y., Zhang, R., and Chen, J.: Unveiling the Molecular Characteristics, Origins, and Formation Mechanism of Reduced Nitrogen Organic Compounds in the Urban Atmosphere of Shanghai Using a Versatile Aerosol Concentration Enrichment System, Environ. Sci. Technol., 58, 7099–7112, https://doi.org/10.1021/acs.est.3c04071, 2024.
Ambrose, J. L., Haase, K., Russo, R. S., Zhou, Y., White, M. L., Frinak, E. K., Jordan, C., Mayne, H. R., Talbot, R., and Sive, B. C.: A comparison of GC-FID and PTR-MS toluene measurements in ambient air under conditions of enhanced monoterpene loading, Atmos. Meas. Tech., 3, 959–980, https://doi.org/10.5194/amt-3-959-2010, 2010.
Anderson, D. C., Pavelec, J., Daube, C., Herndon, S. C., Knighton, W. B., Lerner, B. M., Roscioli, J. R., Yacovitch, T. I., and Wood, E. C.: Characterization of ozone production in San Antonio, Texas, using measurements of total peroxy radicals, Atmos. Chem. Phys., 19, 2845–2860, https://doi.org/10.5194/acp-19-2845-2019, 2019.
Aprea, E., Biasioli, F., Märk, T. D., and Gasperi, F.: PTR-MS study of esters in water and water/ethanol solutions: Fragmentation patterns and partition coefficients, Int. J. Mass Spectrom., 262, 114–121, https://doi.org/10.1016/j.ijms.2006.10.016, 2007.
Baasandorj, M., Millet, D. B., Hu, L., Mitroo, D., and Williams, B. J.: Measuring acetic and formic acid by proton-transfer-reaction mass spectrometry: sensitivity, humidity dependence, and quantifying interferences, Atmos. Meas. Tech., 8, 1303–1321, https://doi.org/10.5194/amt-8-1303-2015, 2015.
Badjagbo, K., Sauvé, S., and Moore, S.: Real-time continuous monitoring methods for airborne VOCs, TRAC-Trend. Anal. Chem., 26, 931–940, https://doi.org/10.1016/j.trac.2007.07.004, 2007.
Blake, R. S., Monks, P. S., and Ellis, A. M.: Proton-Transfer Reaction Mass Spectrometry, Chem. Rev., 109, 861–896, https://doi.org/10.1021/cr800364q, 2009.
Brown, P., Watts, P., Märk, T. D., and Mayhew, C. A.: Proton transfer reaction mass spectrometry investigations on the effects of reduced electric field and reagent ion internal energy on product ion branching ratios for a series of saturated alcohols, Int. J. Mass Spectrom., 294, 103–111, https://doi.org/10.1016/j.ijms.2010.05.028, 2010.
Buhr, K., Ruth, S. van, and Delahunty, C.: Analysis of volatile flavour compounds by Proton Transfer Reaction-Mass Spectrometry: fragmentation patterns and discrimination between isobaric and isomeric compounds, Int. J. Mass Spectrom., 221, 1–7, https://doi.org/10.1016/s1387-3806(02)00896-5, 2002.
Cappellin, L., Karl, T., Probst, M., Ismailova, O., Winkler, P. M., Soukoulis, C., Aprea, E., Märk, T. D., Gasperi, F., and Biasioli, F.: On Quantitative Determination of Volatile Organic Compound Concentrations Using Proton Transfer Reaction Time-of-Flight Mass Spectrometry, Environ. Sci. Technol., 46, 2283–2290, https://doi.org/10.1021/es203985t, 2012.
Chen, X., Millet, D. B., Singh, H. B., Wisthaler, A., Apel, E. C., Atlas, E. L., Blake, D. R., Bourgeois, I., Brown, S. S., Crounse, J. D., de Gouw, J. A., Flocke, F. M., Fried, A., Heikes, B. G., Hornbrook, R. S., Mikoviny, T., Min, K.-E., Müller, M., Neuman, J. A., O'Sullivan, D. W., Peischl, J., Pfister, G. G., Richter, D., Roberts, J. M., Ryerson, T. B., Shertz, S. R., Thompson, C. R., Treadaway, V., Veres, P. R., Walega, J., Warneke, C., Washenfelder, R. A., Weibring, P., and Yuan, B.: On the sources and sinks of atmospheric VOCs: an integrated analysis of recent aircraft campaigns over North America, Atmos. Chem. Phys., 19, 9097–9123, https://doi.org/10.5194/acp-19-9097-2019, 2019.
Claflin, M. S. and Lerner, B. M.: Quantitative Comparison of Direct and GC-Speciated CI-TOF-MS Measurements, Zenodo, https://doi.org/10.5281/zenodo.10069421, 2023.
Claflin, M. S., Pagonis, D., Finewax, Z., Handschy, A. V., Day, D. A., Brown, W. L., Jayne, J. T., Worsnop, D. R., Jimenez, J. L., Ziemann, P. J., de Gouw, J., and Lerner, B. M.: An in situ gas chromatograph with automatic detector switching between PTR- and EI-TOF-MS: isomer-resolved measurements of indoor air, Atmos. Meas. Tech., 14, 133–152, https://doi.org/10.5194/amt-14-133-2021, 2021.
Coggon, M. M., Veres, P. R., Yuan, B., Koss, A., Warneke, C., Gilman, J. B., Lerner, B. M., Peischl, J., Aikin, K. C., Stockwell, C. E., Hatch, L. E., Ryerson, T. B., Roberts, J. M., Yokelson, R. J., and de Gouw, J. A.: Emissions of nitrogen-containing organic compounds from the burning of herbaceous and arboraceous biomass: Fuel composition dependence and the variability of commonly used nitrile tracers, Geophys. Res. Lett., 43, 9903–9912, https://doi.org/10.1002/2016gl070562, 2016.
Coggon, M. M., Stockwell, C. E., Claflin, M. S., Pfannerstill, E. Y., Xu, L., Gilman, J. B., Marcantonio, J., Cao, C., Bates, K., Gkatzelis, G. I., Lamplugh, A., Katz, E. F., Arata, C., Apel, E. C., Hornbrook, R. S., Piel, F., Majluf, F., Blake, D. R., Wisthaler, A., Canagaratna, M., Lerner, B. M., Goldstein, A. H., Mak, J. E., and Warneke, C.: Identifying and correcting interferences to PTR-ToF-MS measurements of isoprene and other urban volatile organic compounds, Atmos. Meas. Tech., 17, 801–825, https://doi.org/10.5194/amt-17-801-2024, 2024.
Cui, L., Zhang, Z., Huang, Y., Lee, S. C., Blake, D. R., Ho, K. F., Wang, B., Gao, Y., Wang, X. M., and Louie, P. K. K.: Measuring OVOCs and VOCs by PTR-MS in an urban roadside microenvironment of Hong Kong: relative humidity and temperature dependence, and field intercomparisons, Atmos. Meas. Tech., 9, 5763–5779, https://doi.org/10.5194/amt-9-5763-2016, 2016.
Dunne, E., Galbally, I. E., Cheng, M., Selleck, P., Molloy, S. B., and Lawson, S. J.: Comparison of VOC measurements made by PTR-MS, adsorbent tubes–GC-FID-MS and DNPH derivatization–HPLC during the Sydney Particle Study, 2012: a contribution to the assessment of uncertainty in routine atmospheric VOC measurements, Atmos. Meas. Tech., 11, 141–159, https://doi.org/10.5194/amt-11-141-2018, 2018.
Eerdekens, G., Ganzeveld, L., Vilà-Guerau de Arellano, J., Klüpfel, T., Sinha, V., Yassaa, N., Williams, J., Harder, H., Kubistin, D., Martinez, M., and Lelieveld, J.: Flux estimates of isoprene, methanol and acetone from airborne PTR-MS measurements over the tropical rainforest during the GABRIEL 2005 campaign, Atmos. Chem. Phys., 9, 4207–4227, https://doi.org/10.5194/acp-9-4207-2009, 2009.
de Gouw, J. and Warneke, C.: Measurements of volatile organic compounds in the earth's atmosphere using proton-transfer-reaction mass spectrometry, Mass Spectrom. Rev., 26, 223–257, https://doi.org/10.1002/mas.20119, 2007.
de Gouw, J. A., Goldan, P. D., Warneke, C., Kuster, W. C., Roberts, J. M., Marchewka, M., Bertman, S. B., Pszenny, A. A. P., and Keene, W. C.: Validation of proton transfer reaction-mass spectrometry (PTR-MS) measurements of gas-phase organic compounds in the atmosphere during the New England Air Quality Study (NEAQS) in 2002, J. Geophys. Res.-Atmos., 108, 4682, https://doi.org/10.1029/2003jd003863, 2003a.
de Gouw, J., Warneke, C., Karl, T., Eerdekens, G., Veen, C. van der, and Fall, R.: Sensitivity and specificity of atmospheric trace gas detection by proton-transfer-reaction mass spectrometry, Int. J. Mass Spectrom., 223, 365–382, https://doi.org/10.1016/s1387-3806(02)00926-0, 2003b.
de Gouw, J. A., Warneke, C., Parrish, D. D., Holloway, J. S., Trainer, M., and Fehsenfeld, F. C.: Emission sources and ocean uptake of acetonitrile (CH3CN) in the atmosphere, J. Geophys. Res.-Atmos., 108, 4329, https://doi.org/10.1029/2002jd002897, 2003c.
Hamilton, J. F.: Using Comprehensive Two-Dimensional Gas Chromatography to Study the Atmosphere, J. Chromatogr. Sci., 48, 274–282, https://doi.org/10.1093/chromsci/48.4.274, 2010.
Hansel, A., Jordan, A., Holzinger, R., Prazeller, P., Vogel, W., and Lindinger, W.: Proton transfer reaction mass spectrometry: on-line trace gas analysis at the ppb level, Int. J. Mass Spectrom. Ion Process., 149, 609–619, https://doi.org/10.1016/0168-1176(95)04294-u, 1995.
Helmig, D.: Air analysis by gas chromatography, J. Chromatogr. A, 843, 129–146, https://doi.org/10.1016/s0021-9673(99)00173-9, 1999.
Huang, D., Li, Q., Han, Y., Xia, S.-Y., Zhou, J., Che, H., Lu, K., Yang, F., Long, X., and Chen, Y.: Biogenic volatile organic compounds dominated the near-surface ozone generation in Sichuan Basin, China, during fall and wintertime, J. Environ. Sci., 141, 215–224, https://doi.org/10.1016/j.jes.2023.04.004, 2024.
Hughey, C. A., Hendrickson, C. L., Rodgers, R. P., Marshall, A. G., and Qian, K.: Kendrick Mass Defect Spectrum: A Compact Visual Analysis for Ultrahigh-Resolution Broadband Mass Spectra, Anal. Chem., 73, 4676–4681, https://doi.org/10.1021/ac010560w, 2001.
Jensen, A. R., Koss, A. R., Hales, R. B., and de Gouw, J. A.: Measurements of volatile organic compounds in ambient air by gas-chromatography and real-time Vocus PTR-TOF-MS: calibrations, instrument background corrections, and introducing a PTR Data Toolkit, Atmos. Meas. Tech., 16, 5261–5285, https://doi.org/10.5194/amt-16-5261-2023, 2023.
Kalogridis, C., Gros, V., Sarda-Esteve, R., Langford, B., Loubet, B., Bonsang, B., Bonnaire, N., Nemitz, E., Genard, A.-C., Boissard, C., Fernandez, C., Ormeño, E., Baisnée, D., Reiter, I., and Lathière, J.: Concentrations and fluxes of isoprene and oxygenated VOCs at a French Mediterranean oak forest, Atmos. Chem. Phys., 14, 10085–10102, https://doi.org/10.5194/acp-14-10085-2014, 2014.
Krechmer, J., Lopez-Hilfiker, F., Koss, A., Hutterli, M., Stoermer, C., Deming, B., Kimmel, J., Warneke, C., Holzinger, R., Jayne, J., Worsnop, D., Fuhrer, K., Gonin, M., and de Gouw, J.: Evaluation of a New Reagent-Ion Source and Focusing Ion–Molecule Reactor for Use in Proton-Transfer-Reaction Mass Spectrometry, Anal. Chem., 90, 12011–12018, https://doi.org/10.1021/acs.analchem.8b02641, 2018.
Leglise, J., Müller, M., Piel, F., Otto, T., and Wisthaler, A.: Bulk Organic Aerosol Analysis by Proton-Transfer-Reaction Mass Spectrometry: An Improved Methodology for the Determination of Total Organic Mass, O:C and H:C Elemental Ratios, and the Average Molecular Formula, Anal. Chem., 91, 12619–12624, https://doi.org/10.1021/acs.analchem.9b02949, 2019.
Li, B., Ho, S. S. H., Li, X., Guo, L., Chen, A., Hu, L., Yang, Y., Chen, D., Lin, A., and Fang, X.: A comprehensive review on anthropogenic volatile organic compounds (VOCs) emission estimates in China: Comparison and outlook, Environ. Int., 156, 106710, https://doi.org/10.1016/j.envint.2021.106710, 2021.
Li, F., Huang, D. D., Tian, L., Yuan, B., Tan, W., Zhu, L., Ye, P., Worsnop, D., Hoi, K. I., Mok, K. M., and Li, Y. J.: Response of protonated, adduct, and fragmented ions in Vocus proton-transfer-reaction time-of-flight mass spectrometer (PTR-ToF-MS), Atmos. Meas. Tech., 17, 2415–2427, https://doi.org/10.5194/amt-17-2415-2024, 2024a.
Li, P., Chen, C., Liu, D., Lian, J., Li, W., Fan, C., Yan, L., Gao, Y., Wang, M., Liu, H., Pan, X., and Mao, J.: Characteristics and source apportionment of ambient volatile organic compounds and ozone generation sensitivity in urban Jiaozuo, China, J. Environ. Sci., 138, 607–625, https://doi.org/10.1016/j.jes.2023.04.016, 2024b.
Li, Y., Ma, X., Lu, K., Gao, Y., Xu, W., Yang, X., and Zhang, Y.: Investigation of the Cyclohexene Oxidation Mechanism Through the Direct Measurement of Organic Peroxy Radicals, Environ. Sci. Technol., 58, 19807–19817, https://doi.org/10.1021/acs.est.4c06744, 2024c.
Lindinger, W., Hansel, A., and Jordan, A.: On-line monitoring of volatile organic compounds at pptv levels by means of proton-transfer-reaction mass spectrometry (PTR-MS) medical applications, food control and environmental research, Int. J. Mass Spectrom. Ion Process., 173, 191–241, https://doi.org/10.1016/s0168-1176(97)00281-4, 1998.
Link, M. F., Robertson, R., Claflin, M. S., and Poppendieck, D.: Quantification of Byproduct Formation from Portable Air Cleaners Using a Proposed Standard Test Method, Environ. Sci. Technol., 58, 7916–7923, https://doi.org/10.1021/acs.est.3c09331, 2024.
Link, M. F., Claflin, M. S., Cecelski, C. E., Akande, A. A., Kilgour, D., Heine, P. A., Coggon, M., Stockwell, C. E., Jensen, A., Yu, J., Huynh, H. N., Ditto, J. C., Warneke, C., Dresser, W., Gemmell, K., Jorga, S., Robertson, R. L., de Gouw, J., Bertram, T., Abbatt, J. P. D., Borduas-Dedekind, N., and Poppendieck, D.: Product ion distributions using H3O+ proton-transfer-reaction time-of-flight mass spectrometry (PTR-ToF-MS): mechanisms, transmission effects, and instrument-to-instrument variability, Atmos. Meas. Tech., 18, 1013–1038, https://doi.org/10.5194/amt-18-1013-2025, 2025.
Materić, D., Lanza, M., Sulzer, P., Herbig, J., Bruhn, D., Gauci, V., Mason, N., and Turner, C.: Selective reagent ion-time of flight-mass spectrometry study of six common monoterpenes, Int. J. Mass Spectrom., 421, 40–50, https://doi.org/10.1016/j.ijms.2017.06.003, 2017.
Mozaffar, A. and Zhang, Y.-L.: Atmospheric Volatile Organic Compounds (VOCs) in China: a Review, Curr. Pollut. Rep., 6, 250–263, https://doi.org/10.1007/s40726-020-00149-1, 2020.
Nozière, B., Kalberer, M., Claeys, M., Allan, J., D'Anna, B., Decesari, S., Finessi, E., Glasius, M., Grgić, I., Hamilton, J. F., Hoffmann, T., Iinuma, Y., Jaoui, M., Kahnt, A., Kampf, C. J., Kourtchev, I., Maenhaut, W., Marsden, N., Saarikoski, S., Schnelle-Kreis, J., Surratt, J. D., Szidat, S., Szmigielski, R., and Wisthaler, A.: The Molecular Identification of Organic Compounds in the Atmosphere: State of the Art and Challenges, Chem. Rev., 115, 3919–3983, https://doi.org/10.1021/cr5003485, 2015.
Obersteiner, F., Bönisch, H., and Engel, A.: An automated gas chromatography time-of-flight mass spectrometry instrument for the quantitative analysis of halocarbons in air, Atmos. Meas. Tech., 9, 179–194, https://doi.org/10.5194/amt-9-179-2016, 2016.
Pagonis, D., Sekimoto, K., and de Gouw, J.: A Library of Proton-Transfer Reactions of H3O+ Ions Used for Trace Gas Detection, J. Am. Soc. Mass Spectrom., 30, 1330–1335, https://doi.org/10.1007/s13361-019-02209-3, 2019.
Romano, A. and Hanna, G. B.: Identification and quantification of VOCs by proton transfer reaction time of flight mass spectrometry: An experimental workflow for the optimization of specificity, sensitivity, and accuracy, J. Mass Spectrom., 53, 287–295, https://doi.org/10.1002/jms.4063, 2018.
Santos, F. J. and Galceran, M. T.: The application of gas chromatography to environmental analysis, TRAC-Trend. Anal. Chem., 21, 672–685, https://doi.org/10.1016/s0165-9936(02)00813-0, 2002.
Sekimoto, K. and Koss, A. R.: Modern mass spectrometry in atmospheric sciences: Measurement of volatile organic compounds in the troposphere using proton-transfer-reaction mass spectrometry, J. Mass Spectrom., 56, ii–ii, https://doi.org/10.1002/jms.4548, 2021.
Sekimoto, K., Li, S.-M., Yuan, B., Koss, A., Coggon, M., Warneke, C., and de Gouw, J.: Calculation of the sensitivity of proton-transfer-reaction mass spectrometry (PTR-MS) for organic trace gases using molecular properties, Int. J. Mass Spectrom., 421, 71–94, https://doi.org/10.1016/j.ijms.2017.04.006, 2017.
Smith, D. and Španěl, P.: Direct, rapid quantitative analyses of BVOCs using SIFT-MS and PTR-MS obviating sample collection, TRAC-Trend. Anal. Chem., 30, 945–959, https://doi.org/10.1016/j.trac.2011.05.001, 2011.
Tani, A., Hayward, S., and Hewitt, C. N.: Measurement of monoterpenes and related compounds by proton transfer reaction-mass spectrometry (PTR-MS), Int. J. Mass Spectrom., 223, 561–578, https://doi.org/10.1016/s1387-3806(02)00880-1, 2003.
van Den Dool, H. and Kratz, P. D.: A generalization of the retention index system including linear temperature programmed gas—liquid partition chromatography, J. Chromatogr. A, 11, 463–471, https://doi.org/10.1016/s0021-9673(01)80947-x, 1963.
Vermeuel, M. P., Novak, G. A., Kilgour, D. B., Claflin, M. S., Lerner, B. M., Trowbridge, A. M., Thom, J., Cleary, P. A., Desai, A. R., and Bertram, T. H.: Observations of biogenic volatile organic compounds over a mixed temperate forest during the summer to autumn transition, Atmos. Chem. Phys., 23, 4123–4148, https://doi.org/10.5194/acp-23-4123-2023, 2023.
Vettikkat, L., Miettinen, P., Buchholz, A., Rantala, P., Yu, H., Schallhart, S., Petäjä, T., Seco, R., Männistö, E., Kulmala, M., Tuittila, E.-S., Guenther, A. B., and Schobesberger, S.: High emission rates and strong temperature response make boreal wetlands a large source of isoprene and terpenes, Atmos. Chem. Phys., 23, 2683–2698, https://doi.org/10.5194/acp-23-2683-2023, 2023.
Vlasenko, A., Slowik, J. G., Bottenheim, J. W., Brickell, P. C., Chang, R. Y. -W., Macdonald, A. M., Shantz, N. C., Sjostedt, S. J., Wiebe, H. A., Leaitch, W. R., and Abbatt, J. P. D.: Measurements of VOCs by proton transfer reaction mass spectrometry at a rural Ontario site: Sources and correlation to aerosol composition, J. Geophys. Res.-Atmos., 114, D21305, https://doi.org/10.1029/2009jd012025, 2009.
von Schneidemesser, E., Monks, P. S., and Plass-Duelmer, C.: Global comparison of VOC and CO observations in urban areas, Atmos. Environ., 44, 5053–5064, https://doi.org/10.1016/j.atmosenv.2010.09.010, 2010.
Wang, W., Yuan, B., Peng, Y., Su, H., Cheng, Y., Yang, S., Wu, C., Qi, J., Bao, F., Huangfu, Y., Wang, C., Ye, C., Wang, Z., Wang, B., Wang, X., Song, W., Hu, W., Cheng, P., Zhu, M., Zheng, J., and Shao, M.: Direct observations indicate photodegradable oxygenated volatile organic compounds (OVOCs) as larger contributors to radicals and ozone production in the atmosphere, Atmos. Chem. Phys., 22, 4117–4128, https://doi.org/10.5194/acp-22-4117-2022, 2022.
Warneke, C., de Gouw, J. A., Kuster, W. C., Goldan, P. D., and Fall, R.: Validation of Atmospheric VOC Measurements by Proton-Transfer- Reaction Mass Spectrometry Using a Gas-Chromatographic Preseparation Method, Environ. Sci. Technol., 37, 2494–2501, https://doi.org/10.1021/es026266i, 2003.
Williams, J. and Koppmann, R.: Volatile Organic Compounds in the Atmosphere, Wiley, 1–32, https://doi.org/10.1002/9780470988657.ch1, 2010.
Yáñez-Serrano, A. M., Filella, I., LLusià, J., Gargallo-Garriga, A., Granda, V., Bourtsoukidis, E., Williams, J., Seco, R., Cappellin, L., Werner, C., de Gouw, J., and Peñuelas, J.: GLOVOCS – Master compound assignment guide for proton transfer reaction mass spectrometry users, Atmos. Environ., 244, 117929, https://doi.org/10.1016/j.atmosenv.2020.117929, 2021.
Yesildagli, B., Lee, S.-B., and Lee, J.: Temporal variations of volatile organic compounds inside the cabin of a new electric vehicle under different operation modes during winter using proton transfer reaction time-of-flight mass spectrometry, J. Hazard. Mater., 453, 131368, https://doi.org/10.1016/j.jhazmat.2023.131368, 2023.
Yuan, B., Koss, A. R., Warneke, C., Coggon, M., Sekimoto, K., and de Gouw, J. A.: Proton-Transfer-Reaction Mass Spectrometry: Applications in Atmospheric Sciences, Chem. Rev., 117, 13187–13229, https://doi.org/10.1021/acs.chemrev.7b00325, 2017.
Zhang, M., Cai, D., Lin, J., Liu, Z., Li, M., Wang, Y., and Chen, J.: Molecular characterization of atmospheric organic aerosols in typical megacities in China, npj Clim. Atmos. Sci., 7, 230, https://doi.org/10.1038/s41612-024-00784-1, 2024.
Zhou, X., Zhou, X., Wang, C., and Zhou, H.: Environmental and human health impacts of volatile organic compounds: A perspective review, Chemosphere, 313, 137489, https://doi.org/10.1016/j.chemosphere.2022.137489, 2023.
Short summary
This study provides insight into how individual ions measured by proton-transfer-reaction (PTR) mass spectrometry are produced by multiple volatile organic compounds (VOCs). A reference table is provided for attributing the PTR signal to contributing VOC species. The signals are grouped according to the complexity of their potential identities. We find that a number of signal ions such as C6H7+ for benzene and C5H9+ for isoprene merely give an upper limit of their corresponding concentrations.
This study provides insight into how individual ions measured by proton-transfer-reaction (PTR)...