Articles | Volume 18, issue 4
https://doi.org/10.5194/amt-18-1013-2025
© 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-18-1013-2025
© Author(s) 2025. This work is distributed under
the Creative Commons Attribution 4.0 License.
the Creative Commons Attribution 4.0 License.
Product ion distributions using H3O+ proton-transfer-reaction time-of-flight mass spectrometry (PTR-ToF-MS): mechanisms, transmission effects, and instrument-to-instrument variability
National Institute of Standards and Technology, Gaithersburg, 20899, USA
Megan S. Claflin
Aerodyne Research Inc., Billerica, 01821, USA
Christina E. Cecelski
National Institute of Standards and Technology, Gaithersburg, 20899, USA
Ayomide A. Akande
Department of Chemistry, University of British Columbia, Vancouver, V6T 1Z1, Canada
Delaney Kilgour
Department of Chemistry, University of Wisconsin–Madison, Madison, 53706, USA
Paul A. Heine
Department of Chemistry, University of British Columbia, Vancouver, V6T 1Z1, Canada
Matthew Coggon
National Oceanic and Atmospheric Administration, Boulder, 80305, USA
Chelsea E. Stockwell
National Oceanic and Atmospheric Administration, Boulder, 80305, USA
Andrew Jensen
Department of Chemistry, University of Colorado Boulder, Boulder, 80309, USA
now at: Department of Chemistry, University of Michigan, Ann Arbor, 48109, USA
Jie Yu
Department of Chemistry, University of Toronto, Toronto, M5S 3H6, Canada
Han N. Huynh
Department of Chemistry, University of Toronto, Toronto, M5S 3H6, Canada
now at: National Oceanic and Atmospheric Administration, Boulder, 80305, USA
Jenna C. Ditto
Department of Chemistry, University of Toronto, Toronto, M5S 3H6, Canada
now at: Energy, Environmental & Chemical Engineering, Washington University in St. Louis, St. Louis, 63130, USA
Carsten Warneke
National Oceanic and Atmospheric Administration, Boulder, 80305, USA
William Dresser
Department of Chemistry, University of Colorado Boulder, Boulder, 80309, USA
Keighan Gemmell
Department of Chemistry, University of British Columbia, Vancouver, V6T 1Z1, Canada
Spiro Jorga
Department of Chemistry, University of Toronto, Toronto, M5S 3H6, Canada
now at: Tofwerk, Thun, 3645, Switzerland
Rileigh L. Robertson
National Institute of Standards and Technology, Gaithersburg, 20899, USA
now at: Department of Mechanical Engineering, University of Colorado Boulder, Boulder, 80309, USA
Joost de Gouw
Department of Chemistry, University of Colorado Boulder, Boulder, 80309, USA
Timothy Bertram
Department of Chemistry, University of Wisconsin–Madison, Madison, 53706, USA
Jonathan P. D. Abbatt
Department of Chemistry, University of Toronto, Toronto, M5S 3H6, Canada
Nadine Borduas-Dedekind
Department of Chemistry, University of British Columbia, Vancouver, V6T 1Z1, Canada
Dustin Poppendieck
National Institute of Standards and Technology, Gaithersburg, 20899, USA
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Anna Karion, Michael F. Link, Rileigh Robertson, Tyler Boyle, and Dustin Poppendieck
Atmos. Meas. Tech., 17, 7065–7075, https://doi.org/10.5194/amt-17-7065-2024, https://doi.org/10.5194/amt-17-7065-2024, 2024
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Methane leaks into houses that use natural gas from appliances, pipes, and fittings. We measured methane emitted from a manufactured house under different ventilation conditions using indoor and outdoor concentration measurements. We injected methane at prescribed rates into the house and then measured the emissions using our method. We report the error in the calculation based on these tests. We also describe the method and provide guidance on conducting this type of experiment.
Rickey J. M. Lee, Ayomide A. Akande, Saeid Kamal, Paul A. Heine, Pritesh Padhiar, David Tonkin, Wesley Rusinoff, Mohamad Rezaei, and Nadine Borduas-Dedekind
EGUsphere, https://doi.org/10.5194/egusphere-2025-3041, https://doi.org/10.5194/egusphere-2025-3041, 2025
This preprint is open for discussion and under review for Atmospheric Measurement Techniques (AMT).
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The University of British Columbia (UBC)'s Advanced Techniques for Mechanisms of OXidation (ATMOX) chamber is a modular 8 m3 environmental chamber capable of operating under batch and continuous mode experiments with a unique setup of light-emitting diodes (LEDs) producing irradiance peaks at 275, 310, 325, 340, 365, 385 nm, as well as between 450 and 630 nm. This chamber enables wavelength-specific photochemical experiments without temperature increases while being energy efficient.
Ying Zhang, Yuwei Wang, Chuang Li, Yueyang Li, Sijia Yin, Megan S. Claflin, Brian M. Lerner, Douglas Worsnop, and Lin Wang
Atmos. Meas. Tech., 18, 3547–3568, https://doi.org/10.5194/amt-18-3547-2025, https://doi.org/10.5194/amt-18-3547-2025, 2025
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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.
Kathleen A. Alden, Paul Bieber, Anna J. Miller, Nicole Link, Benjamin J. Murray, and Nadine Borduas-Dedekind
Atmos. Chem. Phys., 25, 6179–6195, https://doi.org/10.5194/acp-25-6179-2025, https://doi.org/10.5194/acp-25-6179-2025, 2025
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Lignin and Snomax are surface-active macromolecules that show a relationship between increasing concentrations, decreasing surface tension, and increasing ice-nucleating ability. However, this relationship did not hold for agricultural soil extracts collected in the UK and Canada. To explain this difference, we propose that as the complexity of the sample increases, the hydrophobic interfaces in the bulk compete with the air–water interface.
Joseph O. Palmo, Colette L. Heald, Donald R. Blake, Ilann Bourgeois, Matthew Coggon, Jeff Collett, Frank Flocke, Alan Fried, Georgios Gkatzelis, Samuel Hall, Lu Hu, Jose L. Jimenez, Pedro Campuzano-Jost, I-Ting Ku, Benjamin Nault, Brett Palm, Jeff Peischl, Ilana Pollack, Amy Sullivan, Joel Thornton, Carsten Warneke, Armin Wisthaler, and Lu Xu
EGUsphere, https://doi.org/10.5194/egusphere-2025-1969, https://doi.org/10.5194/egusphere-2025-1969, 2025
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This study investigates ozone production within wildfire smoke plumes as they age, using both aircraft observations and models. We find that the chemical environment and resulting ozone production within smoke changes as plumes evolve, with implications for climate and public health.
Alexander C. Bradley, Barbara Dix, Fergus Mackenzie, J. Pepijn Veefkind, and Joost A. de Gouw
Atmos. Meas. Tech., 18, 1675–1687, https://doi.org/10.5194/amt-18-1675-2025, https://doi.org/10.5194/amt-18-1675-2025, 2025
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Currently, measurement of methane from the TROPOMI satellite is biased with respect to surface reflectance. This study demonstrates a new method of correcting for this bias on a seasonal timescale to allow for differences in surface reflectance in areas of intense agriculture where growing seasons may introduce a reflectance bias. We have successfully implemented this technique in the Denver–Julesburg basin, where agriculture and methane extraction infrastructure is often co-located.
Sneha Aggarwal, Priyanka Bansal, Yuwei Wang, Spiro Jorga, Gabrielle Macgregor, Urs Rohner, Thomas Bannan, Matthew Salter, Paul Zieger, Claudia Mohr, and Felipe Lopez-Hilfiker
EGUsphere, https://doi.org/10.5194/egusphere-2025-696, https://doi.org/10.5194/egusphere-2025-696, 2025
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Chemical ionization mass spectrometers used for trace gas analysis can be operated at various conditions, complicating quantitative comparisons. We evaluate sensitivity dependence on relatively few key instrument parameters and show that when these are held constant, consistent performance is achieved. We show that the maximum sensitivity of a given flow tube reactor across various reagent ion chemistries is a constant, which aids in the quantification of compounds lacking analytical standards.
Hendrik Fuchs, Aaron Stainsby, Florian Berg, René Dubus, Michelle Färber, Andreas Hofzumahaus, Frank Holland, Kelvin H. Bates, Steven S. Brown, Matthew M. Coggon, Glenn S. Diskin, Georgios I. Gkatzelis, Christopher M. Jernigan, Jeff Peischl, Michael A. Robinson, Andrew W. Rollins, Nell B. Schafer, Rebecca H. Schwantes, Chelsea E. Stockwell, Patrick R. Veres, Carsten Warneke, Eleanor M. Waxman, Lu Xu, Kristen Zuraski, Andreas Wahner, and Anna Novelli
Atmos. Meas. Tech., 18, 881–895, https://doi.org/10.5194/amt-18-881-2025, https://doi.org/10.5194/amt-18-881-2025, 2025
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Significant improvements have been made to the instruments used to measure OH reactivity, which is equivalent to the sum of air pollutant concentrations. Accurate and precise measurements with a high time resolution have been achieved, allowing use on aircraft, as demonstrated during flights in the USA.
Delaney B. Kilgour, Christopher M. Jernigan, Olga Garmash, Sneha Aggarwal, Shengqian Zhou, Claudia Mohr, Matt E. Salter, Joel A. Thornton, Jian Wang, Paul Zieger, and Timothy H. Bertram
Atmos. Chem. Phys., 25, 1931–1947, https://doi.org/10.5194/acp-25-1931-2025, https://doi.org/10.5194/acp-25-1931-2025, 2025
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We report simultaneous measurements of dimethyl sulfide (DMS) and hydroperoxymethyl thioformate (HPMTF) in the eastern North Atlantic. We use an observationally constrained box model to show that cloud loss is the dominant sink of HPMTF in this region over 6 weeks, resulting in large reductions in DMS-derived products that contribute to aerosol formation and growth. Our findings indicate that fast cloud processing of HPMTF must be included in global models to accurately capture the sulfur cycle.
Chelsea E. Stockwell, Matthew M. Coggon, Rebecca H. Schwantes, Colin Harkins, Bert Verreyken, Congmeng Lyu, Qindan Zhu, Lu Xu, Jessica B. Gilman, Aaron Lamplugh, Jeff Peischl, Michael A. Robinson, Patrick R. Veres, Meng Li, Andrew W. Rollins, Kristen Zuraski, Sunil Baidar, Shang Liu, Toshihiro Kuwayama, Steven S. Brown, Brian C. McDonald, and Carsten Warneke
Atmos. Chem. Phys., 25, 1121–1143, https://doi.org/10.5194/acp-25-1121-2025, https://doi.org/10.5194/acp-25-1121-2025, 2025
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In urban areas, emissions from everyday products like paints, cleaners, and personal care products, along with non-traditional sources such as cooking, are increasingly important and impact air quality. This study uses a box model to evaluate how these emissions impact ozone in the Los Angeles Basin and quantifies the impact of gaseous cooking emissions. Accurate representation of these and other anthropogenic sources in inventories is crucial for informing effective air quality policies.
Anna Karion, Michael F. Link, Rileigh Robertson, Tyler Boyle, and Dustin Poppendieck
Atmos. Meas. Tech., 17, 7065–7075, https://doi.org/10.5194/amt-17-7065-2024, https://doi.org/10.5194/amt-17-7065-2024, 2024
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Methane leaks into houses that use natural gas from appliances, pipes, and fittings. We measured methane emitted from a manufactured house under different ventilation conditions using indoor and outdoor concentration measurements. We injected methane at prescribed rates into the house and then measured the emissions using our method. We report the error in the calculation based on these tests. We also describe the method and provide guidance on conducting this type of experiment.
Matthieu Riva, Veronika Pospisilova, Carla Frege, Sebastien Perrier, Priyanka Bansal, Spiro Jorga, Patrick Sturm, Joel A. Thornton, Urs Rohner, and Felipe Lopez-Hilfiker
Atmos. Meas. Tech., 17, 5887–5901, https://doi.org/10.5194/amt-17-5887-2024, https://doi.org/10.5194/amt-17-5887-2024, 2024
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We present a newly designed reduced-pressure chemical ionization reactor for detection of gas-phase organic and inorganic species. The system operates through the combined use of vacuum ultraviolet ionization and photosensitizers to generate numerous adduct ionization schemes. As a result, it offers the ability to simultaneously measure a wide variety of organic and inorganic species in terms of compound volatility and functionality, while being largely independent of changes in sample humidity.
Andrew O. Langford, Raul J. Alvarez II, Kenneth C. Aikin, Sunil Baidar, W. Alan Brewer, Steven S. Brown, Matthew M. Coggan, Patrick D. Cullis, Jessica Gilman, Georgios I. Gkatzelis, Detlev Helmig, Bryan J. Johnson, K. Emma Knowland, Rajesh Kumar, Aaron D. Lamplugh, Audra McClure-Begley, Brandi J. McCarty, Ann M. Middlebrook, Gabriele Pfister, Jeff Peischl, Irina Petropavlovskikh, Pamela S. Rickley, Andrew W. Rollins, Scott P. Sandberg, Christoph J. Senff, and Carsten Warneke
EGUsphere, https://doi.org/10.5194/egusphere-2024-1938, https://doi.org/10.5194/egusphere-2024-1938, 2024
Preprint withdrawn
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High ozone (O3) formed by reactions of nitrogen oxides (NOx) and volatile organic compounds (VOCs) can harm human health and welfare. High O3 is usually associated with hot summer days, but under certain conditions, high O3 can also form under winter conditions. In this study, we describe a high O3 event that occurred in Colorado during the COVID-19 quarantine that was caused in part by the decrease in traffic, and in part by a shallow inversion created by descent of stratospheric air.
Edward J. Strobach, Sunil Baidar, Brian J. Carroll, Steven S. Brown, Kristen Zuraski, Matthew Coggon, Chelsea E. Stockwell, Lu Xu, Yelena L. Pichugina, W. Alan Brewer, Carsten Warneke, Jeff Peischl, Jessica Gilman, Brandi McCarty, Maxwell Holloway, and Richard Marchbanks
Atmos. Chem. Phys., 24, 9277–9307, https://doi.org/10.5194/acp-24-9277-2024, https://doi.org/10.5194/acp-24-9277-2024, 2024
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Large-scale weather patterns are isolated from local patterns to study the impact that different weather scales have on air quality measurements. While impacts from large-scale meteorology were evaluated by separating ozone (O3) exceedance (>70 ppb) and non-exceedance (<70 ppb) days, we developed a technique that allows direct comparisons of small temporal variations between chemical and dynamics measurements under rapid dynamical transitions.
Josie K. Radtke, Benjamin N. Kies, Whitney A. Mottishaw, Sydney M. Zeuli, Aidan T. H. Voon, Kelly L. Koerber, Grant W. Petty, Michael P. Vermeuel, Timothy H. Bertram, Ankur R. Desai, Joseph P. Hupy, R. Bradley Pierce, Timothy J. Wagner, and Patricia A. Cleary
Atmos. Meas. Tech., 17, 2833–2847, https://doi.org/10.5194/amt-17-2833-2024, https://doi.org/10.5194/amt-17-2833-2024, 2024
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The use of uncrewed aircraft systems (UASs) to conduct a vertical profiling of ozone and meteorological variables was evaluated using comparisons between tower or ground observations and UAS-based measurements. Changes to the UAS profiler showed an improvement in performance. The profiler was used to see the impact of Chicago pollution plumes on a shoreline area near Lake Michigan.
Qindan Zhu, Rebecca H. Schwantes, Matthew Coggon, Colin Harkins, Jordan Schnell, Jian He, Havala O. T. Pye, Meng Li, Barry Baker, Zachary Moon, Ravan Ahmadov, Eva Y. Pfannerstill, Bryan Place, Paul Wooldridge, Benjamin C. Schulze, Caleb Arata, Anthony Bucholtz, John H. Seinfeld, Carsten Warneke, Chelsea E. Stockwell, Lu Xu, Kristen Zuraski, Michael A. Robinson, J. Andrew Neuman, Patrick R. Veres, Jeff Peischl, Steven S. Brown, Allen H. Goldstein, Ronald C. Cohen, and Brian C. McDonald
Atmos. Chem. Phys., 24, 5265–5286, https://doi.org/10.5194/acp-24-5265-2024, https://doi.org/10.5194/acp-24-5265-2024, 2024
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Volatile organic compounds (VOCs) fuel the production of air pollutants like ozone and particulate matter. The representation of VOC chemistry remains challenging due to its complexity in speciation and reactions. Here, we develop a chemical mechanism, RACM2B-VCP, that better represents VOC chemistry in urban areas such as Los Angeles. We also discuss the contribution of VOCs emitted from volatile chemical products and other anthropogenic sources to total VOC reactivity and O3.
Matthew M. Coggon, Chelsea E. Stockwell, Lu Xu, Jeff Peischl, Jessica B. Gilman, Aaron Lamplugh, Henry J. Bowman, Kenneth Aikin, Colin Harkins, Qindan Zhu, Rebecca H. Schwantes, Jian He, Meng Li, Karl Seltzer, Brian McDonald, and Carsten Warneke
Atmos. Chem. Phys., 24, 4289–4304, https://doi.org/10.5194/acp-24-4289-2024, https://doi.org/10.5194/acp-24-4289-2024, 2024
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Residential and commercial cooking emits pollutants that degrade air quality. Here, ambient observations show that cooking is an important contributor to anthropogenic volatile organic compounds (VOCs) emitted in Las Vegas, NV. These emissions are not fully presented in air quality models, and more work may be needed to quantify emissions from important sources, such as commercial restaurants.
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.
Melissa A. Morris, Demetrios Pagonis, Douglas A. Day, Joost A. de Gouw, Paul J. Ziemann, and Jose L. Jimenez
Atmos. Meas. Tech., 17, 1545–1559, https://doi.org/10.5194/amt-17-1545-2024, https://doi.org/10.5194/amt-17-1545-2024, 2024
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Polymer absorption of volatile organic compounds (VOCs) is important to characterize for atmospheric sampling setups (as interactions cause sampling delays) and indoor air quality. Here we test different polymer materials and quantify their absorptive capacities through modeling. We found the main polymers in carpets to be highly absorptive, acting as large reservoirs for indoor pollution. We also demonstrated how polymer tubes can be used as a low-cost gas separation technique.
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.
Yuening Li, Faqiang Zhan, Yushan Su, Ying Duan Lei, Chubashini Shunthirasingham, Zilin Zhou, Jonathan P. D. Abbatt, Hayley Hung, and Frank Wania
Atmos. Meas. Tech., 17, 715–729, https://doi.org/10.5194/amt-17-715-2024, https://doi.org/10.5194/amt-17-715-2024, 2024
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A simple device for sampling gases from the atmosphere without the help of pumps was calibrated for an important group of hazardous air pollutants called polycyclic aromatic compounds (PACs). While the sampler appeared to perform well when used for relatively short periods of up to several months, some PACs were lost from the sampler during longer deployments. Sampling rates that can be used to quantitatively interpret the quantities of PACs taken up in the device have been derived.
Georgios I. Gkatzelis, Matthew M. Coggon, Chelsea E. Stockwell, Rebecca S. Hornbrook, Hannah Allen, Eric C. Apel, Megan M. Bela, Donald R. Blake, Ilann Bourgeois, Steven S. Brown, Pedro Campuzano-Jost, Jason M. St. Clair, James H. Crawford, John D. Crounse, Douglas A. Day, Joshua P. DiGangi, Glenn S. Diskin, Alan Fried, Jessica B. Gilman, Hongyu Guo, Johnathan W. Hair, Hannah S. Halliday, Thomas F. Hanisco, Reem Hannun, Alan Hills, L. Gregory Huey, Jose L. Jimenez, Joseph M. Katich, Aaron Lamplugh, Young Ro Lee, Jin Liao, Jakob Lindaas, Stuart A. McKeen, Tomas Mikoviny, Benjamin A. Nault, J. Andrew Neuman, John B. Nowak, Demetrios Pagonis, Jeff Peischl, Anne E. Perring, Felix Piel, Pamela S. Rickly, Michael A. Robinson, Andrew W. Rollins, Thomas B. Ryerson, Melinda K. Schueneman, Rebecca H. Schwantes, Joshua P. Schwarz, Kanako Sekimoto, Vanessa Selimovic, Taylor Shingler, David J. Tanner, Laura Tomsche, Krystal T. Vasquez, Patrick R. Veres, Rebecca Washenfelder, Petter Weibring, Paul O. Wennberg, Armin Wisthaler, Glenn M. Wolfe, Caroline C. Womack, Lu Xu, Katherine Ball, Robert J. Yokelson, and Carsten Warneke
Atmos. Chem. Phys., 24, 929–956, https://doi.org/10.5194/acp-24-929-2024, https://doi.org/10.5194/acp-24-929-2024, 2024
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This study reports emissions of gases and particles from wildfires. These emissions are related to chemical proxies that can be measured by satellite and incorporated into models to improve predictions of wildfire impacts on air quality and climate.
Andrew R. Jensen, Abigail R. Koss, Ryder B. Hales, and Joost A. de Gouw
Atmos. Meas. Tech., 16, 5261–5285, https://doi.org/10.5194/amt-16-5261-2023, https://doi.org/10.5194/amt-16-5261-2023, 2023
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Quantification of a wide range of volatile organic compounds by proton-transfer-reaction mass spectrometry (PTR-MS) can be achieved with direct calibration of only a subset of compounds, characterization of instrument response, and simple reaction kinetics. We characterized our Vocus PTR-MS and developed a toolkit as a guide through this process. A catalytic zero air generator provided the lowest detection limits, and short, frequent calibrations informed variability in instrument response.
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.
Jonathan P. D. Abbatt and A. R. Ravishankara
Atmos. Chem. Phys., 23, 9765–9785, https://doi.org/10.5194/acp-23-9765-2023, https://doi.org/10.5194/acp-23-9765-2023, 2023
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With important climate and air quality impacts, atmospheric multiphase chemistry involves gas interactions with aerosol particles and cloud droplets. We summarize the status of the field and discuss potential directions for future growth. We highlight the importance of a molecular-level understanding of the chemistry, along with atmospheric field studies and modeling, and emphasize the necessity for atmospheric multiphase chemists to interact widely with scientists from neighboring disciplines.
Yuting Lyu, Yin Hau Lam, Yitao Li, Nadine Borduas-Dedekind, and Theodora Nah
Atmos. Chem. Phys., 23, 9245–9263, https://doi.org/10.5194/acp-23-9245-2023, https://doi.org/10.5194/acp-23-9245-2023, 2023
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We measured singlet oxygen (1O2*) and triplet excited states of organic matter (3C*) in illuminated aqueous extracts of PM2.5 collected in different seasons at different sites in Hong Kong SAR, South China. In contrast to the locations, seasonality had significant effects on 3C* and 1O2* production due to seasonal variations in long-range air mass transport. The steady-state concentrations of 3C* and 1O2* correlated with the concentration and absorbance of water-soluble organic carbon.
Bryan K. Place, William T. Hutzell, K. Wyat Appel, Sara Farrell, Lukas Valin, Benjamin N. Murphy, Karl M. Seltzer, Golam Sarwar, Christine Allen, Ivan R. Piletic, Emma L. D'Ambro, Emily Saunders, Heather Simon, Ana Torres-Vasquez, Jonathan Pleim, Rebecca H. Schwantes, Matthew M. Coggon, Lu Xu, William R. Stockwell, and Havala O. T. Pye
Atmos. Chem. Phys., 23, 9173–9190, https://doi.org/10.5194/acp-23-9173-2023, https://doi.org/10.5194/acp-23-9173-2023, 2023
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Ground-level ozone is a pollutant with adverse human health and ecosystem effects. Air quality models allow scientists to understand the chemical production of ozone and demonstrate impacts of air quality management plans. In this work, the role of multiple systems in ozone production was investigated for the northeastern US in summer. Model updates to chemical reaction rates and monoterpene chemistry were most influential in decreasing predicted ozone and improving agreement with observations.
Kevin J. Nihill, Matthew M. Coggon, Christopher Y. Lim, Abigail R. Koss, Bin Yuan, Jordan E. Krechmer, Kanako Sekimoto, Jose L. Jimenez, Joost de Gouw, Christopher D. Cappa, Colette L. Heald, Carsten Warneke, and Jesse H. Kroll
Atmos. Chem. Phys., 23, 7887–7899, https://doi.org/10.5194/acp-23-7887-2023, https://doi.org/10.5194/acp-23-7887-2023, 2023
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In this work, we collect emissions from controlled burns of biomass fuels that can be found in the western United States into an environmental chamber in order to simulate their oxidation as they pass through the atmosphere. These findings provide a detailed characterization of the composition of the atmosphere downwind of wildfires. In turn, this will help to explore the effects of these changing emissions on downwind populations and will also directly inform atmospheric and climate models.
Lixu Jin, Wade Permar, Vanessa Selimovic, Damien Ketcherside, Robert J. Yokelson, Rebecca S. Hornbrook, Eric C. Apel, I-Ting Ku, Jeffrey L. Collett Jr., Amy P. Sullivan, Daniel A. Jaffe, Jeffrey R. Pierce, Alan Fried, Matthew M. Coggon, Georgios I. Gkatzelis, Carsten Warneke, Emily V. Fischer, and Lu Hu
Atmos. Chem. Phys., 23, 5969–5991, https://doi.org/10.5194/acp-23-5969-2023, https://doi.org/10.5194/acp-23-5969-2023, 2023
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Air quality in the USA has been improving since 1970 due to anthropogenic emission reduction. Those gains have been partly offset by increased wildfire pollution in the western USA in the past 20 years. Still, we do not understand wildfire emissions well due to limited measurements. Here, we used a global transport model to evaluate and constrain current knowledge of wildfire emissions with recent observational constraints, showing the underestimation of wildfire emissions in the western USA.
Havala O. T. Pye, Bryan K. Place, Benjamin N. Murphy, Karl M. Seltzer, Emma L. D'Ambro, Christine Allen, Ivan R. Piletic, Sara Farrell, Rebecca H. Schwantes, Matthew M. Coggon, Emily Saunders, Lu Xu, Golam Sarwar, William T. Hutzell, Kristen M. Foley, George Pouliot, Jesse Bash, and William R. Stockwell
Atmos. Chem. Phys., 23, 5043–5099, https://doi.org/10.5194/acp-23-5043-2023, https://doi.org/10.5194/acp-23-5043-2023, 2023
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Chemical mechanisms describe how emissions from vehicles, vegetation, and other sources are chemically transformed in the atmosphere to secondary products including criteria and hazardous air pollutants. The Community Regional Atmospheric Chemistry Multiphase Mechanism integrates gas-phase radical chemistry with pathways to fine-particle mass. New species were implemented, resulting in a bottom-up representation of organic aerosol, which is required for accurate source attribution of pollutants.
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.
Nadine Borduas-Dedekind, Karen C. Short, and Samuel P. Carlson
Earth Syst. Sci. Data, 15, 1437–1440, https://doi.org/10.5194/essd-15-1437-2023, https://doi.org/10.5194/essd-15-1437-2023, 2023
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This article describes the use of the open-discussion manuscript review process as an educational exercise for early career scientists.
Lu Xu, Matthew M. Coggon, Chelsea E. Stockwell, Jessica B. Gilman, Michael A. Robinson, Martin Breitenlechner, Aaron Lamplugh, John D. Crounse, Paul O. Wennberg, J. Andrew Neuman, Gordon A. Novak, Patrick R. Veres, Steven S. Brown, and Carsten Warneke
Atmos. Meas. Tech., 15, 7353–7373, https://doi.org/10.5194/amt-15-7353-2022, https://doi.org/10.5194/amt-15-7353-2022, 2022
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We describe the development and operation of a chemical ionization mass spectrometer using an ammonium–water cluster (NH4+·H2O) as a reagent ion. NH4+·H2O is a highly versatile reagent ion for measurements of a wide range of oxygenated organic compounds. The major product ion is the cluster with NH4+ produced via ligand-switching reactions. The instrumental sensitivities of analytes depend on the binding energy of the analyte–NH4+ cluster; sensitivities can be estimated using voltage scanning.
Rachel A. Bergin, Monica Harkey, Alicia Hoffman, Richard H. Moore, Bruce Anderson, Andreas Beyersdorf, Luke Ziemba, Lee Thornhill, Edward Winstead, Tracey Holloway, and Timothy H. Bertram
Atmos. Chem. Phys., 22, 15449–15468, https://doi.org/10.5194/acp-22-15449-2022, https://doi.org/10.5194/acp-22-15449-2022, 2022
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Correctly predicting aerosol surface area concentrations is important for determining the rate of heterogeneous reactions in chemical transport models. Here, we compare aircraft measurements of aerosol surface area with a regional model. In polluted air masses, we show that the model underpredicts aerosol surface area by a factor of 2. Despite this disagreement, the representation of heterogeneous chemistry still dominates the overall uncertainty in the loss rate of molecules such as N2O5.
Nicole A. June, Anna L. Hodshire, Elizabeth B. Wiggins, Edward L. Winstead, Claire E. Robinson, K. Lee Thornhill, Kevin J. Sanchez, Richard H. Moore, Demetrios Pagonis, Hongyu Guo, Pedro Campuzano-Jost, Jose L. Jimenez, Matthew M. Coggon, Jonathan M. Dean-Day, T. Paul Bui, Jeff Peischl, Robert J. Yokelson, Matthew J. Alvarado, Sonia M. Kreidenweis, Shantanu H. Jathar, and Jeffrey R. Pierce
Atmos. Chem. Phys., 22, 12803–12825, https://doi.org/10.5194/acp-22-12803-2022, https://doi.org/10.5194/acp-22-12803-2022, 2022
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The evolution of organic aerosol composition and size is uncertain due to variability within and between smoke plumes. We examine the impact of plume concentration on smoke evolution from smoke plumes sampled by the NASA DC-8 during FIREX-AQ. We find that observed organic aerosol and size distribution changes are correlated to plume aerosol mass concentrations. Additionally, coagulation explains the majority of the observed growth.
Therese S. Carter, Colette L. Heald, Jesse H. Kroll, Eric C. Apel, Donald Blake, Matthew Coggon, Achim Edtbauer, Georgios Gkatzelis, Rebecca S. Hornbrook, Jeff Peischl, Eva Y. Pfannerstill, Felix Piel, Nina G. Reijrink, Akima Ringsdorf, Carsten Warneke, Jonathan Williams, Armin Wisthaler, and Lu Xu
Atmos. Chem. Phys., 22, 12093–12111, https://doi.org/10.5194/acp-22-12093-2022, https://doi.org/10.5194/acp-22-12093-2022, 2022
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Fires emit many gases which can contribute to smog and air pollution. However, the amount and properties of these chemicals are not well understood, so this work updates and expands their representation in a global atmospheric model, including by adding new chemicals. We confirm that this updated representation generally matches measurements taken in several fire regions. We then show that fires provide ~15 % of atmospheric reactivity globally and more than 75 % over fire source regions.
Ilann Bourgeois, Jeff Peischl, J. Andrew Neuman, Steven S. Brown, Hannah M. Allen, Pedro Campuzano-Jost, Matthew M. Coggon, Joshua P. DiGangi, Glenn S. Diskin, Jessica B. Gilman, Georgios I. Gkatzelis, Hongyu Guo, Hannah A. Halliday, Thomas F. Hanisco, Christopher D. Holmes, L. Gregory Huey, Jose L. Jimenez, Aaron D. Lamplugh, Young Ro Lee, Jakob Lindaas, Richard H. Moore, Benjamin A. Nault, John B. Nowak, Demetrios Pagonis, Pamela S. Rickly, Michael A. Robinson, Andrew W. Rollins, Vanessa Selimovic, Jason M. St. Clair, David Tanner, Krystal T. Vasquez, Patrick R. Veres, Carsten Warneke, Paul O. Wennberg, Rebecca A. Washenfelder, Elizabeth B. Wiggins, Caroline C. Womack, Lu Xu, Kyle J. Zarzana, and Thomas B. Ryerson
Atmos. Meas. Tech., 15, 4901–4930, https://doi.org/10.5194/amt-15-4901-2022, https://doi.org/10.5194/amt-15-4901-2022, 2022
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Understanding fire emission impacts on the atmosphere is key to effective air quality management and requires accurate measurements. We present a comparison of airborne measurements of key atmospheric species in ambient air and in fire smoke. We show that most instruments performed within instrument uncertainties. In some cases, further work is needed to fully characterize instrument performance. Comparing independent measurements using different techniques is important to assess their accuracy.
Shang Liu, Barbara Barletta, Rebecca S. Hornbrook, Alan Fried, Jeff Peischl, Simone Meinardi, Matthew Coggon, Aaron Lamplugh, Jessica B. Gilman, Georgios I. Gkatzelis, Carsten Warneke, Eric C. Apel, Alan J. Hills, Ilann Bourgeois, James Walega, Petter Weibring, Dirk Richter, Toshihiro Kuwayama, Michael FitzGibbon, and Donald Blake
Atmos. Chem. Phys., 22, 10937–10954, https://doi.org/10.5194/acp-22-10937-2022, https://doi.org/10.5194/acp-22-10937-2022, 2022
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California’s ozone persistently exceeds the air quality standards. We studied the spatial distribution of volatile organic compounds (VOCs) that produce ozone over the most polluted regions in California using aircraft measurements. We find that the oxygenated VOCs have the highest ozone formation potential. Spatially, biogenic VOCs are important during high ozone episodes in the South Coast Air Basin, while dairy emissions may be critical for ozone production in San Joaquin Valley.
Robert J. Yokelson, Bambang H. Saharjo, Chelsea E. Stockwell, Erianto I. Putra, Thilina Jayarathne, Acep Akbar, Israr Albar, Donald R. Blake, Laura L. B. Graham, Agus Kurniawan, Simone Meinardi, Diah Ningrum, Ati D. Nurhayati, Asmadi Saad, Niken Sakuntaladewi, Eko Setianto, Isobel J. Simpson, Elizabeth A. Stone, Sigit Sutikno, Andri Thomas, Kevin C. Ryan, and Mark A. Cochrane
Atmos. Chem. Phys., 22, 10173–10194, https://doi.org/10.5194/acp-22-10173-2022, https://doi.org/10.5194/acp-22-10173-2022, 2022
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Fire plus non-fire GHG emissions associated with draining peatlands are the largest per area of any land use change considered by the IPCC. To characterize average and variability for tropical peat fire emissions, highly mobile smoke sampling teams were deployed across four Indonesian provinces to explore an extended interannual, climatic, and spatial range. Large adjustments to IPCC-recommended emissions are suggested. Lab data bolster an extensive emissions database for tropical peat fires.
Rachel Y.-W. Chang, Jonathan P. D. Abbatt, Matthew C. Boyer, Jai Prakash Chaubey, and Douglas B. Collins
Atmos. Chem. Phys., 22, 8059–8071, https://doi.org/10.5194/acp-22-8059-2022, https://doi.org/10.5194/acp-22-8059-2022, 2022
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During summer 2016, the ability of newly formed particles to turn into droplets was measured in the Canadian Arctic. Our observations suggest that these small particles were growing by the condensation of organic vapours likely coming from the surrounding open waters. These particles grew large enough that they could form cloud droplets and therefore affect the earth’s radiation budget. These results are relevant as the Arctic summer rapidly warms with climate change.
Linghan Zeng, Jack Dibb, Eric Scheuer, Joseph M. Katich, Joshua P. Schwarz, Ilann Bourgeois, Jeff Peischl, Tom Ryerson, Carsten Warneke, Anne E. Perring, Glenn S. Diskin, Joshua P. DiGangi, John B. Nowak, Richard H. Moore, Elizabeth B. Wiggins, Demetrios Pagonis, Hongyu Guo, Pedro Campuzano-Jost, Jose L. Jimenez, Lu Xu, and Rodney J. Weber
Atmos. Chem. Phys., 22, 8009–8036, https://doi.org/10.5194/acp-22-8009-2022, https://doi.org/10.5194/acp-22-8009-2022, 2022
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Wildfires emit aerosol particles containing brown carbon material that affects visibility and global climate and is toxic. Brown carbon is poorly characterized due to measurement limitations, and its evolution in the atmosphere is not well known. We report on aircraft measurements of brown carbon from large wildfires in the western United States. We compare two methods for measuring brown carbon and study the evolution of brown carbon in the smoke as it moved away from the burning regions.
Gordon A. Novak, Delaney B. Kilgour, Christopher M. Jernigan, Michael P. Vermeuel, and Timothy H. Bertram
Atmos. Chem. Phys., 22, 6309–6325, https://doi.org/10.5194/acp-22-6309-2022, https://doi.org/10.5194/acp-22-6309-2022, 2022
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We describe field measurements of the mixing ratio and oceanic emission flux of dimethyl sulfide (DMS) and methanethiol (MeSH) from a coastal ocean site. DMS is known to impact aerosol formation and growth in the marine atmosphere, influencing cloud formation and climate. Measurements of MeSH, which is produced by the same oceanic source as DMS, are rare. We show that MeSH emissions are large and must be measured alongside DMS to understand marine sulfur chemistry and aerosol formation.
Zoé Brasseur, Dimitri Castarède, Erik S. Thomson, Michael P. Adams, Saskia Drossaart van Dusseldorp, Paavo Heikkilä, Kimmo Korhonen, Janne Lampilahti, Mikhail Paramonov, Julia Schneider, Franziska Vogel, Yusheng Wu, Jonathan P. D. Abbatt, Nina S. Atanasova, Dennis H. Bamford, Barbara Bertozzi, Matthew Boyer, David Brus, Martin I. Daily, Romy Fösig, Ellen Gute, Alexander D. Harrison, Paula Hietala, Kristina Höhler, Zamin A. Kanji, Jorma Keskinen, Larissa Lacher, Markus Lampimäki, Janne Levula, Antti Manninen, Jens Nadolny, Maija Peltola, Grace C. E. Porter, Pyry Poutanen, Ulrike Proske, Tobias Schorr, Nsikanabasi Silas Umo, János Stenszky, Annele Virtanen, Dmitri Moisseev, Markku Kulmala, Benjamin J. Murray, Tuukka Petäjä, Ottmar Möhler, and Jonathan Duplissy
Atmos. Chem. Phys., 22, 5117–5145, https://doi.org/10.5194/acp-22-5117-2022, https://doi.org/10.5194/acp-22-5117-2022, 2022
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The present measurement report introduces the ice nucleation campaign organized in Hyytiälä, Finland, in 2018 (HyICE-2018). We provide an overview of the campaign settings, and we describe the measurement infrastructure and operating procedures used. In addition, we use results from ice nucleation instrument inter-comparison to show that the suite of these instruments deployed during the campaign reports consistent results.
Kun Zhang, Zhiqiang Liu, Xiaojuan Zhang, Qing Li, Andrew Jensen, Wen Tan, Ling Huang, Yangjun Wang, Joost de Gouw, and Li Li
Atmos. Chem. Phys., 22, 4853–4866, https://doi.org/10.5194/acp-22-4853-2022, https://doi.org/10.5194/acp-22-4853-2022, 2022
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A significant increase in O3 concentrations was found during the lockdown period of COVID-19 in most areas of China. By field measurements coupled with machine learning, an observation-based model (OBM) and sensitivity analysis, we found the changes in the NOx / VOC ratio were a key reason for the significant rise in O3. To restrain O3 pollution, more efforts should be devoted to the control of anthropogenic OVOCs, alkenes and aromatics.
Jenna C. Ditto, Jo Machesky, and Drew R. Gentner
Atmos. Chem. Phys., 22, 3045–3065, https://doi.org/10.5194/acp-22-3045-2022, https://doi.org/10.5194/acp-22-3045-2022, 2022
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We analyzed gases and aerosols sampled in summer and winter in a coastal region that is often downwind of urban areas and observed large contributions of nitrogen-containing organic compounds influenced by a mix of biogenic, anthropogenic, and/or marine sources as well as photochemical and aqueous-phase atmospheric processes. The results show the prevalence of key reduced and oxidized nitrogen functional groups and advance knowledge on the chemical structure of nitrogen-containing compounds.
Delaney B. Kilgour, Gordon A. Novak, Jon S. Sauer, Alexia N. Moore, Julie Dinasquet, Sarah Amiri, Emily B. Franklin, Kathryn Mayer, Margaux Winter, Clare K. Morris, Tyler Price, Francesca Malfatti, Daniel R. Crocker, Christopher Lee, Christopher D. Cappa, Allen H. Goldstein, Kimberly A. Prather, and Timothy H. Bertram
Atmos. Chem. Phys., 22, 1601–1613, https://doi.org/10.5194/acp-22-1601-2022, https://doi.org/10.5194/acp-22-1601-2022, 2022
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We report measurements of gas-phase volatile organosulfur molecules made during a mesocosm phytoplankton bloom experiment. Dimethyl sulfide (DMS), methanethiol (MeSH), and benzothiazole accounted for on average over 90 % of total gas-phase sulfur emissions. This work focuses on factors controlling the production and emission of DMS and MeSH and the role of non-DMS molecules (such as MeSH and benzothiazole) in secondary sulfate formation in coastal marine environments.
Debora Griffin, Chris A. McLinden, Enrico Dammers, Cristen Adams, Chelsea E. Stockwell, Carsten Warneke, Ilann Bourgeois, Jeff Peischl, Thomas B. Ryerson, Kyle J. Zarzana, Jake P. Rowe, Rainer Volkamer, Christoph Knote, Natalie Kille, Theodore K. Koenig, Christopher F. Lee, Drew Rollins, Pamela S. Rickly, Jack Chen, Lukas Fehr, Adam Bourassa, Doug Degenstein, Katherine Hayden, Cristian Mihele, Sumi N. Wren, John Liggio, Ayodeji Akingunola, and Paul Makar
Atmos. Meas. Tech., 14, 7929–7957, https://doi.org/10.5194/amt-14-7929-2021, https://doi.org/10.5194/amt-14-7929-2021, 2021
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Satellite-derived NOx emissions from biomass burning are estimated with TROPOMI observations. Two common emission estimation methods are applied, and sensitivity tests with model output were performed to determine the accuracy of these methods. The effect of smoke aerosols on TROPOMI NO2 columns is estimated and compared to aircraft observations from four different aircraft campaigns measuring biomass burning plumes in 2018 and 2019 in North America.
Jin Liao, Glenn M. Wolfe, Reem A. Hannun, Jason M. St. Clair, Thomas F. Hanisco, Jessica B. Gilman, Aaron Lamplugh, Vanessa Selimovic, Glenn S. Diskin, John B. Nowak, Hannah S. Halliday, Joshua P. DiGangi, Samuel R. Hall, Kirk Ullmann, Christopher D. Holmes, Charles H. Fite, Anxhelo Agastra, Thomas B. Ryerson, Jeff Peischl, Ilann Bourgeois, Carsten Warneke, Matthew M. Coggon, Georgios I. Gkatzelis, Kanako Sekimoto, Alan Fried, Dirk Richter, Petter Weibring, Eric C. Apel, Rebecca S. Hornbrook, Steven S. Brown, Caroline C. Womack, Michael A. Robinson, Rebecca A. Washenfelder, Patrick R. Veres, and J. Andrew Neuman
Atmos. Chem. Phys., 21, 18319–18331, https://doi.org/10.5194/acp-21-18319-2021, https://doi.org/10.5194/acp-21-18319-2021, 2021
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Formaldehyde (HCHO) is an important oxidant precursor and affects the formation of O3 and other secondary pollutants in wildfire plumes. We disentangle the processes controlling HCHO evolution from wildfire plumes sampled by NASA DC-8 during FIREX-AQ. We find that OH abundance rather than normalized OH reactivity is the main driver of fire-to-fire variability in HCHO secondary production and estimate an effective HCHO yield per volatile organic compound molecule oxidized in wildfire plumes.
Zachary C. J. Decker, Michael A. Robinson, Kelley C. Barsanti, Ilann Bourgeois, Matthew M. Coggon, Joshua P. DiGangi, Glenn S. Diskin, Frank M. Flocke, Alessandro Franchin, Carley D. Fredrickson, Georgios I. Gkatzelis, Samuel R. Hall, Hannah Halliday, Christopher D. Holmes, L. Gregory Huey, Young Ro Lee, Jakob Lindaas, Ann M. Middlebrook, Denise D. Montzka, Richard Moore, J. Andrew Neuman, John B. Nowak, Brett B. Palm, Jeff Peischl, Felix Piel, Pamela S. Rickly, Andrew W. Rollins, Thomas B. Ryerson, Rebecca H. Schwantes, Kanako Sekimoto, Lee Thornhill, Joel A. Thornton, Geoffrey S. Tyndall, Kirk Ullmann, Paul Van Rooy, Patrick R. Veres, Carsten Warneke, Rebecca A. Washenfelder, Andrew J. Weinheimer, Elizabeth Wiggins, Edward Winstead, Armin Wisthaler, Caroline Womack, and Steven S. Brown
Atmos. Chem. Phys., 21, 16293–16317, https://doi.org/10.5194/acp-21-16293-2021, https://doi.org/10.5194/acp-21-16293-2021, 2021
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To understand air quality impacts from wildfires, we need an accurate picture of how wildfire smoke changes chemically both day and night as sunlight changes the chemistry of smoke. We present a chemical analysis of wildfire smoke as it changes from midday through the night. We use aircraft observations from the FIREX-AQ field campaign with a chemical box model. We find that even under sunlight typical
nighttimechemistry thrives and controls the fate of key smoke plume chemical processes.
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.
Benjamin A. Nault, Duseong S. Jo, Brian C. McDonald, Pedro Campuzano-Jost, Douglas A. Day, Weiwei Hu, Jason C. Schroder, James Allan, Donald R. Blake, Manjula R. Canagaratna, Hugh Coe, Matthew M. Coggon, Peter F. DeCarlo, Glenn S. Diskin, Rachel Dunmore, Frank Flocke, Alan Fried, Jessica B. Gilman, Georgios Gkatzelis, Jacqui F. Hamilton, Thomas F. Hanisco, Patrick L. Hayes, Daven K. Henze, Alma Hodzic, James Hopkins, Min Hu, L. Greggory Huey, B. Thomas Jobson, William C. Kuster, Alastair Lewis, Meng Li, Jin Liao, M. Omar Nawaz, Ilana B. Pollack, Jeffrey Peischl, Bernhard Rappenglück, Claire E. Reeves, Dirk Richter, James M. Roberts, Thomas B. Ryerson, Min Shao, Jacob M. Sommers, James Walega, Carsten Warneke, Petter Weibring, Glenn M. Wolfe, Dominique E. Young, Bin Yuan, Qiang Zhang, Joost A. de Gouw, and Jose L. Jimenez
Atmos. Chem. Phys., 21, 11201–11224, https://doi.org/10.5194/acp-21-11201-2021, https://doi.org/10.5194/acp-21-11201-2021, 2021
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Secondary organic aerosol (SOA) is an important aspect of poor air quality for urban regions around the world, where a large fraction of the population lives. However, there is still large uncertainty in predicting SOA in urban regions. Here, we used data from 11 urban campaigns and show that the variability in SOA production in these regions is predictable and is explained by key emissions. These results are used to estimate the premature mortality associated with SOA in urban regions.
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.
Shunyao Wang, Tengyu Liu, Jinmyung Jang, Jonathan P. D. Abbatt, and Arthur W. H. Chan
Atmos. Chem. Phys., 21, 6647–6661, https://doi.org/10.5194/acp-21-6647-2021, https://doi.org/10.5194/acp-21-6647-2021, 2021
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Discrepancies between atmospheric modeling and field observations, especially in highly polluted cities, have highlighted the lack of understanding of sulfate formation mechanisms and kinetics. Here, we directly quantify the reactive uptake coefficient of SO2 onto organic peroxides and study the important governing factors. The SO2 uptake rate was observed to depend on RH, peroxide amount and reactivity, pH, and ionic strength, which provides a framework to better predict sulfate formation.
Franziska Köllner, Johannes Schneider, Megan D. Willis, Hannes Schulz, Daniel Kunkel, Heiko Bozem, Peter Hoor, Thomas Klimach, Frank Helleis, Julia Burkart, W. Richard Leaitch, Amir A. Aliabadi, Jonathan P. D. Abbatt, Andreas B. Herber, and Stephan Borrmann
Atmos. Chem. Phys., 21, 6509–6539, https://doi.org/10.5194/acp-21-6509-2021, https://doi.org/10.5194/acp-21-6509-2021, 2021
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We present in situ observations of vertically resolved particle chemical composition in the summertime Arctic lower troposphere. Our analysis demonstrates the strong vertical contrast between particle properties within the boundary layer and aloft. Emissions from vegetation fires and anthropogenic sources in northern Canada, Europe, and East Asia influenced particle composition in the free troposphere. Organics detected in Arctic aerosol particles can partly be identified as dicarboxylic acids.
Anna J. Miller, Killian P. Brennan, Claudia Mignani, Jörg Wieder, Robert O. David, and Nadine Borduas-Dedekind
Atmos. Meas. Tech., 14, 3131–3151, https://doi.org/10.5194/amt-14-3131-2021, https://doi.org/10.5194/amt-14-3131-2021, 2021
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To characterize atmospheric ice nuclei, we present (1) the development of our home-built droplet freezing technique (DFT), which involves the Freezing Ice Nuclei Counter (FINC), (2) an intercomparison campaign using NX-illite and an ambient sample with two other DFTs, and (3) the application of lignin as a soluble and commercial ice nuclei standard with three DFTs. We further compiled the growing number of DFTs in use for atmospheric ice nucleation since 2000 and add FINC.
Chelsea E. Stockwell, Matthew M. Coggon, Georgios I. Gkatzelis, John Ortega, Brian C. McDonald, Jeff Peischl, Kenneth Aikin, Jessica B. Gilman, Michael Trainer, and Carsten Warneke
Atmos. Chem. Phys., 21, 6005–6022, https://doi.org/10.5194/acp-21-6005-2021, https://doi.org/10.5194/acp-21-6005-2021, 2021
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Volatile chemical products are emerging as a large source of petrochemical organics in urban environments. We identify markers for the coatings category by linking ambient observations to laboratory measurements, investigating volatile organic compound (VOC) composition, and quantifying key VOC emissions via controlled evaporation experiments. Ingredients and sales surveys are used to confirm the prevalence and usage trends to support the assignment of water and solvent-borne coating tracers.
Mutian Ma, Laura-Hélèna Rivellini, YuXi Cui, Megan D. Willis, Rio Wilkie, Jonathan P. D. Abbatt, Manjula R. Canagaratna, Junfeng Wang, Xinlei Ge, and Alex K. Y. Lee
Atmos. Meas. Tech., 14, 2799–2812, https://doi.org/10.5194/amt-14-2799-2021, https://doi.org/10.5194/amt-14-2799-2021, 2021
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Chemical characterization of organic coatings is important to advance our understanding of the physio-chemical properties and atmospheric processing of black carbon (BC) particles. This work develops two approaches to improve the elemental analysis of oxygenated organic coatings using a soot-particle aerosol mass spectrometer. Analyzing ambient data with the new approaches indicated that secondary organics that coated on BC were likely less oxygenated compared to those externally mixed with BC.
Demetrios Pagonis, Pedro Campuzano-Jost, Hongyu Guo, Douglas A. Day, Melinda K. Schueneman, Wyatt L. Brown, Benjamin A. Nault, Harald Stark, Kyla Siemens, Alex Laskin, Felix Piel, Laura Tomsche, Armin Wisthaler, Matthew M. Coggon, Georgios I. Gkatzelis, Hannah S. Halliday, Jordan E. Krechmer, Richard H. Moore, David S. Thomson, Carsten Warneke, Elizabeth B. Wiggins, and Jose L. Jimenez
Atmos. Meas. Tech., 14, 1545–1559, https://doi.org/10.5194/amt-14-1545-2021, https://doi.org/10.5194/amt-14-1545-2021, 2021
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We describe the airborne deployment of an extractive electrospray time-of-flight mass spectrometer (EESI-MS). The instrument provides a quantitative 1 Hz measurement of the chemical composition of organic aerosol up to altitudes of
7 km, with single-compound detection limits as low as 50 ng per standard cubic meter.
Jenna C. Ditto, Megan He, Tori N. Hass-Mitchell, Samar G. Moussa, Katherine Hayden, Shao-Meng Li, John Liggio, Amy Leithead, Patrick Lee, Michael J. Wheeler, Jeremy J. B. Wentzell, and Drew R. Gentner
Atmos. Chem. Phys., 21, 255–267, https://doi.org/10.5194/acp-21-255-2021, https://doi.org/10.5194/acp-21-255-2021, 2021
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Forest fires are an important source of reactive organic gases and aerosols to the atmosphere. We analyzed organic aerosols collected from an aircraft above a boreal forest fire and reported an increasing contribution from compounds containing oxygen, nitrogen, and sulfur as the plume aged, with sulfide and ring-bound nitrogen functionality. Our results demonstrated chemistry that is important in biomass burning but also in urban/developing regions with high local nitrogen and sulfur emissions.
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.
Sophie Bogler and Nadine Borduas-Dedekind
Atmos. Chem. Phys., 20, 14509–14522, https://doi.org/10.5194/acp-20-14509-2020, https://doi.org/10.5194/acp-20-14509-2020, 2020
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To study the role of organic matter in ice crystal formation, we investigated the ice nucleation ability of a subcomponent of organic aerosols, the biopolymer lignin, using a droplet-freezing technique. We found that lignin is an ice-active macromolecule with changing abilities based on dilutions. The effects of atmospheric processing and of physicochemical treatments on the ability of lignin solutions to freeze were negligible. Thus, lignin is a recalcitrant ice-nucleating macromolecule.
Aikaterini Bougiatioti, Athanasios Nenes, Jack J. Lin, Charles A. Brock, Joost A. de Gouw, Jin Liao, Ann M. Middlebrook, and André Welti
Atmos. Chem. Phys., 20, 12163–12176, https://doi.org/10.5194/acp-20-12163-2020, https://doi.org/10.5194/acp-20-12163-2020, 2020
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The number concentration of droplets in clouds in the summertime in the southeastern United States is influenced by aerosol variations but limited by the strong competition for supersaturated water vapor. Concurrent variations in vertical velocity magnify the response of cloud droplet number to aerosol increases by up to a factor of 5. Omitting the covariance of vertical velocity with aerosol number may therefore bias estimates of the cloud albedo effect from aerosols.
Anna J. Miller, Killian P. Brennan, Claudia Mignani, Jörg Wieder, Assaf Zipori, Robert O. David, and Nadine Borduas-Dedekind
Atmos. Meas. Tech. Discuss., https://doi.org/10.5194/amt-2020-361, https://doi.org/10.5194/amt-2020-361, 2020
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For characterizing atmospheric ice nuclei, we present (1) the development of our home-built droplet freezing technique (DFT), the Freezing Ice Nuclei Counter (FINC), (2) an intercomparison campaign using NX-illite and an ambient sample with three DFTs, and (3) the application of lignin as a soluble and commercial ice nuclei standard with four DFTs. We further compiled the growing number of DFTs in use for atmospheric ice nucleation since 2000, to which we add FINC.
W. Richard Leaitch, John K. Kodros, Megan D. Willis, Sarah Hanna, Hannes Schulz, Elisabeth Andrews, Heiko Bozem, Julia Burkart, Peter Hoor, Felicia Kolonjari, John A. Ogren, Sangeeta Sharma, Meng Si, Knut von Salzen, Allan K. Bertram, Andreas Herber, Jonathan P. D. Abbatt, and Jeffrey R. Pierce
Atmos. Chem. Phys., 20, 10545–10563, https://doi.org/10.5194/acp-20-10545-2020, https://doi.org/10.5194/acp-20-10545-2020, 2020
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Black carbon is a factor in the warming of the Arctic atmosphere due to its ability to absorb light, but the uncertainty is high and few observations have been made in the high Arctic above 80° N. We combine airborne and ground-based observations in the springtime Arctic, at and above 80° N, with simulations from a global model to show that light absorption by black carbon may be much larger than modelled. However, the uncertainty remains high.
Cited articles
Antony Joseph, M. J., McIntosh, D. G., Gibson, J. R., and Taylor, S.: Effects of the source gap on transmission efficiency of a quadrupole mass spectrometer, Rapid Commun. Mass Sp., 32, 677–685, 2018.
Arata, C., Misztal, P. K., Tian, Y., Lunderberg, D. M., Kristensen, K., Novoselac, A., Vance, M. E., Farmer, D. K., Nazaroff, W. W., and Goldstein, A. H.: Volatile organic compound emissions during HOMEChem, Indoor Air, 31, 2099–2117, 2021.
Bielik, N., Correia, D., Rodrigues Crespo, K., Goujon-Ginglinger, C., and Mitova, M. I.: Pitfalls in the Detection of Volatiles Associated with Heated Tobacco and e-Vapor Products When Using PTR-TOF-MS, J. Am. Soc. Mass Spectr., 35, 1261–1271, https://doi.org/10.1021/jasms.4c00062, 2024.
Breitenlechner, M., Fischer, L., Hainer, M., Heinritzi, M., Curtius, J., and Hansel, A.: PTR3: An Instrument for Studying the Lifecycle of Reactive Organic Carbon in the Atmosphere, Anal. Chem., 89, 5824–5831, https://doi.org/10.1021/acs.analchem.6b05110, 2017.
Brophy, P. and Farmer, D. K.: Clustering, methodology, and mechanistic insights into acetate chemical ionization using high-resolution time-of-flight mass spectrometry, Atmos. Meas. Tech., 9, 3969–3986, https://doi.org/10.5194/amt-9-3969-2016, 2016.
Buhr, K., van Ruth, S., 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, 2002.
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., 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.
Cubison, M. J. and Jimenez, J. L.: Statistical precision of the intensities retrieved from constrained fitting of overlapping peaks in high-resolution mass spectra, Atmos. Meas. Tech., 8, 2333–2345, https://doi.org/10.5194/amt-8-2333-2015, 2015.
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, 2007.
De Gouw, J., Warneke, C., Karl, T., Eerdekens, G., Van der Veen, C., and Fall, R.: Sensitivity and specificity of atmospheric trace gas detection by proton-transfer-reaction mass spectrometry, Int. J. Mass Spectrom., 223, 365–382, 2003.
Demarcke, M., Amelynck, C., Schoon, N., Dhooghe, F., Rimetz-Planchon, J., Van Langenhove, H., and Dewulf, J.: Laboratory studies in support of the detection of biogenic unsaturated alcohols by proton transfer reaction-mass spectrometry, Int. J. Mass Spectrom., 290, 14–21, https://doi.org/10.1016/j.ijms.2009.11.005, 2010.
Ditto, J. C., Crilley, L. R., Lao, M., Vandenboer, T. C., Abbatt, J. P. D., and Chan, A. W. H.: Indoor and outdoor air quality impacts of cooking and cleaning emissions from a commercial kitchen, Environ. Sci.-Proc. Imp., 25, 964–979, https://doi.org/10.1039/d2em00484d, 2023.
Ditto, J. C., Huynh, H. N., Yu, J., Link, M., Poppendieck, D., Claflin, M., Vance, M. E., Farmer, D., Chan, A., and Abbatt, J.: Speciating volatile organic compounds in indoor air: using in situ GC to interpret real-time PTR-MS signals, Environ. Sci.-Proc. Imp., https://doi.org/10.1039/d4em00602j, 2025.
Ernle, L., Wang, N., Bekö, G., Morrison, G., Wargocki, P., Weschler, C. J., and Williams, J.: Assessment of aldehyde contributions to PTR-MS 69.07 in indoor air measurements, Environmental Science: Atmospheres, 3, 1286–1295, 2023.
Gkatzelis, G. I., Coggon, M. M., Stockwell, C. E., Hornbrook, R. S., Allen, H., Apel, E. C., Bela, M. M., Blake, D. R., Bourgeois, I., Brown, S. S., Campuzano-Jost, P., St. Clair, J. M., Crawford, J. H., Crounse, J. D., Day, D. A., DiGangi, J. P., Diskin, G. S., Fried, A., Gilman, J. B., Guo, H., Hair, J. W., Halliday, H. S., Hanisco, T. F., Hannun, R., Hills, A., Huey, L. G., Jimenez, J. L., Katich, J. M., Lamplugh, A., Lee, Y. R., Liao, J., Lindaas, J., McKeen, S. A., Mikoviny, T., Nault, B. A., Neuman, J. A., Nowak, J. B., Pagonis, D., Peischl, J., Perring, A. E., Piel, F., Rickly, P. S., Robinson, M. A., Rollins, A. W., Ryerson, T. B., Schueneman, M. K., Schwantes, R. H., Schwarz, J. P., Sekimoto, K., Selimovic, V., Shingler, T., Tanner, D. J., Tomsche, L., Vasquez, K. T., Veres, P. R., Washenfelder, R., Weibring, P., Wennberg, P. O., Wisthaler, A., Wolfe, G. M., Womack, C. C., Xu, L., Ball, K., Yokelson, R. J., and Warneke, C.: Parameterizations of US wildfire and prescribed fire emission ratios and emission factors based on FIREX-AQ aircraft measurements, Atmos. Chem. Phys., 24, 929–956, https://doi.org/10.5194/acp-24-929-2024, 2024.
Hegen, O., Salazar Gómez, J. I., Schlögl, R., and Ruland, H.: The potential of NO+ and O in switchable reagent ion proton transfer reaction time-of-flight mass spectrometry, Mass Spectrom. Rev., 42, 1688–1726, https://doi.org/10.1002/mas.21770, 2023.
Heinritzi, M., Simon, M., Steiner, G., Wagner, A. C., Kürten, A., Hansel, A., and Curtius, J.: Characterization of the mass-dependent transmission efficiency of a CIMS, Atmos. Meas. Tech., 9, 1449–1460, https://doi.org/10.5194/amt-9-1449-2016, 2016.
Hodshire, A. L., Carter, E., Mattila, J. M., Ilacqua, V., Zambrana, J., Abbatt, J. P., Abeleira, A., Arata, C., DeCarlo, P. F., and Goldstein, A. H.: Detailed Investigation of the Contribution of Gas-Phase Air Contaminants to Exposure Risk during Indoor Activities, Environ. Sci. Technol., 56, 12148–12157, 2022.
Holzinger, R.: PTRwid: A new widget tool for processing PTR-TOF-MS data, Atmos. Meas. Tech., 8, 3903–3922, https://doi.org/10.5194/amt-8-3903-2015, 2015.
Holzinger, R., Acton, W. J. F., Bloss, W. J., Breitenlechner, M., Crilley, L. R., Dusanter, S., Gonin, M., Gros, V., Keutsch, F. N., Kiendler-Scharr, A., Kramer, L. J., Krechmer, J. E., Languille, B., Locoge, N., Lopez-Hilfiker, F., Materić, D., Moreno, S., Nemitz, E., Quéléver, L. L. J., Sarda Esteve, R., Sauvage, S., Schallhart, S., Sommariva, R., Tillmann, R., Wedel, S., Worton, D. R., Xu, K., and Zaytsev, A.: Validity and limitations of simple reaction kinetics to calculate concentrations of organic compounds from ion counts in PTR-MS, Atmos. Meas. Tech., 12, 6193–6208, https://doi.org/10.5194/amt-12-6193-2019, 2019.
Hopstock, K. S., Perraud, V., Dalton, A. B., Barletta, B., Meinardi, S., Weltman, R. M., Mirkhanian, M. A., Rakosi, K. J., Blake, D. R., Edwards, R. D., and Nizkorodov, S. A.: Chemical Analysis of Exhaled Vape Emissions: Unraveling the Complexities of Humectant Fragmentation in a Human Trial Study, Chem. Res. Toxicol., 37, 1000–1010, https://doi.org/10.1021/acs.chemrestox.4c00088, 2024.
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.
Joó, É., Dewulf, J., Demarcke, M., Amelynck, C., Schoon, N., Müller, J. F., Šimpraga, M., Steppe, K., and Van Langenhove, H.: Quantification of interferences in PTR-MS measurements of monoterpene emissions from Fagus sylvatica L. using simultaneous TD-GC-MS measurements, Int. J. Mass Spectrom., 291, 90–95, https://doi.org/10.1016/j.ijms.2010.01.018, 2010.
Kari, E., Miettinen, P., Yli-Pirilä, P., Virtanen, A., and Faiola, C. L.: PTR-ToF-MS product ion distributions and humidity-dependence of biogenic volatile organic compounds, Int. J. Mass Spectrom., 430, 87–97, https://doi.org/10.1016/j.ijms.2018.05.003, 2018.
Kilgour, D. B., Novak, G. A., Claflin, M. S., Lerner, B. M., and Bertram, T. H.: Production of oxygenated volatile organic compounds from the ozonolysis of coastal seawater, Atmos. Chem. Phys., 24, 3729–3742, https://doi.org/10.5194/acp-24-3729-2024, 2024.
Klein, F., Platt, S. M., Farren, N. J., Detournay, A., Bruns, E. A., Bozzetti, C., Daellenbach, K. R., Kilic, D., Kumar, N. K., and Pieber, S. M.: Characterization of gas-phase organics using proton transfer reaction time-of-flight mass spectrometry: cooking emissions, Environ. Sci. Technol., 50, 1243–1250, 2016.
Koss, A. R., Warneke, C., Yuan, B., Coggon, M. M., Veres, P. R., and de Gouw, J. A.: Evaluation of NO+ reagent ion chemistry for online measurements of atmospheric volatile organic compounds, Atmos. Meas. Tech., 9, 2909–2925, https://doi.org/10.5194/amt-9-2909-2016, 2016.
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.
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, 2024.
Li, H., Almeida, T. G., Luo, Y., Zhao, J., Palm, B. B., Daub, C. D., Huang, W., Mohr, C., Krechmer, J. E., Kurtén, T., and Ehn, M.: Fragmentation inside proton-transfer-reaction-based mass spectrometers limits the detection of ROOR and ROOH peroxides, Atmos. Meas. Tech., 15, 1811–1827, https://doi.org/10.5194/amt-15-1811-2022, 2022.
Link, M. F.: H3O+ PTR-MS PID Library, National Institute of Standards and Technology (NIST) [data set], https://doi.org/10.18434/mds2-3582, 2024.
Link, M. F., Robertson, R. L., Shore, A., Hamadani, B. H., Cecelski, C. E., and Poppendieck, D. G.: Ozone generation and chemistry from 222 nm germicidal ultraviolet light in a fragrant restroom, Environ. Sci.-Proc. Imp., 26, 1090–1106, 2024.
Liu, J., Jiang, J., Ding, X., Patra, S. S., Cross, J. N., Huang, C., Kumar, V., Price, P., Reidy, E. K., Tasoglou, A., Huber, H., Stevens, P. S., Boor, B. E., and Jung, N.: Real-time evaluation of terpene emissions and exposures during the use of scented wax products in residential buildings with PTR-TOF-MS, Build. Environ., 255, 111314, https://doi.org/10.1016/j.buildenv.2024.111314, 2024.
Logue, J. M., McKone, T. E., Sherman, M. H., and Singer, B. C.: Hazard assessment of chemical air contaminants measured in residences, Indoor Air, 21, 92–109, https://doi.org/10.1111/j.1600-0668.2010.00683.x, 2011.
Lopez-Hilfiker, F. D., Iyer, S., Mohr, C., Lee, B. H., D'Ambro, E. L., Kurtén, T., and Thornton, J. A.: Constraining the sensitivity of iodide adduct chemical ionization mass spectrometry to multifunctional organic molecules using the collision limit and thermodynamic stability of iodide ion adducts, Atmos. Meas. Tech., 9, 1505–1512, https://doi.org/10.5194/amt-9-1505-2016, 2016.
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.
Mattila, J. M., Arata, C., Abeleira, A., Zhou, Y., Wang, C., Katz, E. F., Goldstein, A. H., Abbatt, J. P., DeCarlo, P. F., and Vance, M. E.: Contrasting Chemical Complexity and the Reactive Organic Carbon Budget of Indoor and Outdoor Air, Environ. Sci. Technol., 56, 109–118, 2021.
McCrumb, J. L. and Warneck, P.: On the mechanism of water cluster-ion formation in nitrogen, J. Chem. Phys., 67, 5006–5011, https://doi.org/10.1063/1.434722, 1977.
Misztal, P., Heal, M., Nemitz, E., and Cape, J.: Development of PTR-MS selectivity for structural isomers: Monoterpenes as a case study, Int. J. Mass Spectrom., 310, 10–19, 2012.
Molinier, B., Arata, C., Katz, E. F., Lunderberg, D. M., Ofodile, J., Singer, B. C., Nazaroff, W. W., and Goldstein, A. H.: Bedroom Concentrations and Emissions of Volatile Organic Compounds during Sleep, Environ. Sci. Technol., 58, 7958–7967, https://doi.org/10.1021/acs.est.3c10841, 2024.
Müller, M., Mikoviny, T., and Wisthaler, A.: Detector aging induced mass discrimination and non-linearity effects in PTR-ToF-MS, Int. J. Mass Spectrom., 365–366, 93–97, https://doi.org/10.1016/j.ijms.2013.12.008, 2014.
Nazaroff, W. W. and Weschler, C. J.: Methanol and ethanol in indoor environments, Indoor Environ., 1, 100049, https://doi.org/10.1016/j.indenv.2024.100049, 2024.
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 Spectr., 30, 1330–1335, 2019.
Reinecke, T., Leiminger, M., Jordan, A., Wisthaler, A., and Müller, M.: Ultrahigh Sensitivity PTR-MS Instrument with a Well-Defined Ion Chemistry, Anal. Chem., 95, 11879–11884, https://doi.org/10.1021/acs.analchem.3c02669, 2023.
Seaman, V. Y., Bennett, D. H., and Cahill, T. M.: Origin, Occurrence, and Source Emission Rate of Acrolein in Residential Indoor Air, Environ. Sci. Technol., 41, 6940–6946, https://doi.org/10.1021/es0707299, 2007.
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, e4619, https://doi.org/10.1002/jms.4619, 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, 2017.
Sheu, R., Stönner, C., Ditto, J. C., Klüpfel, T., Williams, J., and Gentner, D. R.: Human transport of thirdhand tobacco smoke: A prominent source of hazardous air pollutants into indoor nonsmoking environments, Science Advances, 6, eaay4109, https://doi.org/10.1126/sciadv.aay4109, 2020.
Smith, D., McEwan, M. J., and Španěl, P.: Understanding Gas Phase Ion Chemistry Is the Key to Reliable Selected Ion Flow Tube-Mass Spectrometry Analyses, Anal. Chem., 92, 12750–12762, https://doi.org/10.1021/acs.analchem.0c03050, 2020.
Spanel, P. and Smith, D.: SIFT studies of the reactions of H3O+, NO+ and O with a series of alcohols, International Journal of Mass Spectrometry and Ion Processes, 167–168, 375–388, https://doi.org/10.1016/s0168-1176(97)00085-2, 1997.
Španěl, P., Doren, J. M. V., and Smith, D.: A selected ion flow tube study of the reactions of H3O+, NO+, and O with saturated and unsaturated aldehydes and subsequent hydration of the product ions, Int. J. Mass Spectrom., 213, 163–176, https://doi.org/10.1016/s1387-3806(01)00531-0, 2002.
Tani, A.: Fragmentation and Reaction Rate Constants of Terpenoids Determined by Proton Transfer Reaction-mass Spectrometry, Environmental Control in Biology, 51, 23–29, https://doi.org/10.2525/ecb.51.23, 2013.
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.
Wang, N., Müller, T., Ernle, L., Bekö, G., Wargocki, P., and Williams, J.: How Does Personal Hygiene Influence Indoor Air Quality?, Environ. Sci. Technol., 58, 9750–9759, 2024.
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, 2003.
Worton, D. R., Moreno, S., O'Daly, K., and Holzinger, R.: Development of an International System of Units (SI)-traceable transmission curve reference material to improve the quantitation and comparability of proton-transfer-reaction mass-spectrometry measurements, Atmos. Meas. Tech., 16, 1061–1072, https://doi.org/10.5194/amt-16-1061-2023, 2023.
Xu, L., Coggon, M. M., Stockwell, C. E., Gilman, J. B., Robinson, M. A., Breitenlechner, M., Lamplugh, A., Crounse, J. D., Wennberg, P. O., Neuman, J. A., Novak, G. A., Veres, P. R., Brown, S. S., and Warneke, C.: Chemical ionization mass spectrometry utilizing ammonium ions (NH CIMS) for measurements of organic compounds in the atmosphere, Atmos. Meas. Tech., 15, 7353–7373, https://doi.org/10.5194/amt-15-7353-2022, 2022.
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.
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, 2017.
Short summary
Proton-transfer-reaction mass spectrometry (PTR-MS) is widely used for the measurement of volatile organic compounds (VOCs) both indoors and outdoors. An analytical challenge for PTR-MS measurements is the formation of unintended measurement interferences, product ion distributions (PIDs), that may appear in the data as VOCs of interest. We developed a method for quantifying PID formation and use interlaboratory comparison data to put quantitative constraints on PID formation.
Proton-transfer-reaction mass spectrometry (PTR-MS) is widely used for the measurement of...