Articles | Volume 18, issue 10
https://doi.org/10.5194/gmd-18-2891-2025
© 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/gmd-18-2891-2025
© Author(s) 2025. This work is distributed under
the Creative Commons Attribution 4.0 License.
the Creative Commons Attribution 4.0 License.
Development and technical paper
| 
19 May 2025
Development and technical paper |
| 19 May 2025
| 19 May 2025
Positive matrix factorization of large real-time atmospheric mass spectrometry datasets using error-weighted randomized hierarchical alternating least squares
Benjamin C. Sapper
Department of Applied Mathematics, University of Colorado Boulder, 11 Engineering Dr, Boulder, CO 80309, United States
deceased
Department of Applied Mathematics, University of Colorado Boulder, 11 Engineering Dr, Boulder, CO 80309, United States
Department of Mechanical Engineering, University of Colorado Boulder, 1111 Engineering Dr, Boulder, CO 80309, United States
Daven K. Henze
Department of Mechanical Engineering, University of Colorado Boulder, 1111 Engineering Dr, Boulder, CO 80309, United States
Manjula Canagaratna
Aerodyne Research, 45 Manning Road, Billerica, MA 01821, United States
Harald Stark
Center for Aerosol and Cloud Chemistry, Aerodyne Research, 45 Manning Road, Billerica, MA 01821, United States
Department of Chemistry and Cooperative Institute for Research in Environmental Sciences (CIRES), University of Colorado Boulder, Boulder, CO 80309, United States
Jose L. Jimenez
Department of Chemistry and Cooperative Institute for Research in Environmental Sciences (CIRES), University of Colorado Boulder, Boulder, CO 80309, United States
Related authors
No articles found.
Zhaojun Tang, Panpan Yang, Kazuyuki Miyazaki, John Worden, Helen Worden, Daven K. Henze, Dylan B. A. Jones, and Zhe Jiang
Atmos. Chem. Phys., 26, 5531–5551, https://doi.org/10.5194/acp-26-5531-2026, https://doi.org/10.5194/acp-26-5531-2026, 2026
Short summary
Short summary
We provide a quantitative analysis of global CO emissions and drivers of atmospheric CO trends in 2003–2022, using GEOS-Chem adjoint model constrained by satellite CO measurements. Our results indicate a substantial decline in global anthropogenic CO emissions of 14 %–17 % over the two-decade period, as well as an important offsetting effect from biomass burning emissions on atmospheric CO decline driven by anthropogenic reductions, primarily attributable to extreme wildfire events in 2021.
Andre F. Schaum, Christopher M. Kenseth, Madison Rutherford, Harald Stark, Manjula R. Canagaratna, Joost A. de Gouw, Jose L. Jimenez, and Kelvin H. Bates
Aerosol Research Discuss., https://doi.org/10.5194/ar-2026-13, https://doi.org/10.5194/ar-2026-13, 2026
Preprint under review for AR
Short summary
Short summary
Organic aerosols influence global climate though uncertainties in the magnitude of this influence remain large. A comprehensive understanding of the molecular composition of aerosols is key to minimizing these uncertainties. We present a new method for analyzing organic aerosols in real time using ion mobility mass spectrometry, enabling the separation of aerosol components with identical mass. Analysis of standards and laboratory-generated aerosols demonstrate the method’s potential.
Fei Yao, Paul I. Palmer, Xiaolin Wang, Yi Wang, Gitaek T. Lee, Haolin Wang, Liang Feng, Daven K. Henze, and Rokjin J. Park
EGUsphere, https://doi.org/10.5194/egusphere-2026-1499, https://doi.org/10.5194/egusphere-2026-1499, 2026
Short summary
Short summary
We assess the added value of GEMS geostationary satellite observations of tropospheric NO2 to constrain NOx emission estimates and subsequent air quality modelling over a full annual cycle across Asia. We observe a clear seasonal divide, with significant benefits outside summer while limited or even detrimental impacts during summer. Our findings clarify when and how high frequency geostationary data can be most effectively used to improve our understanding of atmospheric composition.
Charel Wohl, Leah R. Williams, Elisabeth Deschaseaux, Lauriane L. J. Quéléver, David C. S. Beddows, Harald Stark, Veronika Pospisilova, Felipe Lopez-Hilfiker, Guillaume Chamba, Karine Sellegri, Elisabet L. Sà, Queralt Güell-Bujons, Magda Vila, Yaiza M. Castillo, Arianna Rocchi, Ana Sotomayor, Dolors Vaqué, Manuel Dall’Osto, Elisa Berdalet, and Rafel Simó
EGUsphere, https://doi.org/10.5194/egusphere-2026-1472, https://doi.org/10.5194/egusphere-2026-1472, 2026
This preprint is open for discussion and under review for Atmospheric Chemistry and Physics (ACP).
Short summary
Short summary
Methanethiol and dimethyl sulfide are precursors to aerosols, which cool the climate. Here we present measurements of these compounds in surface seawater and ambient air around the Antarctic Peninsula and the Weddell Sea, highlighting that a large fraction of volatile sulfur emissions from the ocean is biogenic methanethiol. This dataset presents some of the factors driving the variability of these compounds.
Melissa A. Ehrenfels, Benjamin C. Schulze, Andrew R. Jensen, Afsara Tasnia, Douglas A. Day, Pedro Campuzano-Jost, Anne V. Handschy, Melinda K. Schueneman, Seonsik Yun, Dongwook Kim, Donna Sueper, Havala O. T. Pye, Benjamin N. Murphy, T. Nash Skipper, Kelley C. Barsanti, Joost A. de Gouw, and Jose L. Jimenez
Aerosol Research Discuss., https://doi.org/10.5194/ar-2026-12, https://doi.org/10.5194/ar-2026-12, 2026
Preprint under review for AR
Short summary
Short summary
Los Angeles, CA suffers from poor air quality, partially due to secondary aerosol formation. The identity and sources of the most important gas phase precursors is a complex and unresolved issue. For the first time, we separated ambient gas-phase species by volatility, then measured their potential to form aerosols. We found that higher-volatility emissions are responsible for 2/3 of the aerosol formation, and lower volatility ones for 1/3. We evaluate two box models against our measurements.
Xu-Cheng He, Nathan Luke Abraham, Han Ding, Maria R. Russo, Daniel P. Grosvenor, Yao Ge, Xuemei Wang, Anthony C. Jones, Pedro Campuzano-Jost, Benjamin Nault, Agnieszka Kupc, Donald Blake, Jose L. Jimenez, Christina J. Williamson, James Weber, Alexander T. Archibald, and Hamish Gordon
Atmos. Chem. Phys., 26, 3805–3851, https://doi.org/10.5194/acp-26-3805-2026, https://doi.org/10.5194/acp-26-3805-2026, 2026
Short summary
Short summary
Aerosols affect clouds and climate. However, current climate models still struggle to simulate them accurately. We used aircraft data from a global mission to evaluate how well the UK Earth System Model represents aerosols and their precursors. Our results show that the model misses key formation processes in clean ocean regions, suggesting that future improvements should focus on better representing how aerosols form naturally in the atmosphere.
Young Ro Lee, Linda Arterburn, Masayuki Takeuchi, David J. Tanner, James M. Roberts, Behrooz Roozitalab, Daun Jeong, Alan J. Hills, Rebecca S. Hornbrook, Eric C. Apel, Simone Meinardi, Barbara Barletta, Nicola J. Blake, Donald R. Blake, Saewung Kim, Wojciech Wojnowski, Felix Piel, Armin Wisthaler, Katherine Ball, John D. Crounse, Paul O. Wennberg, Jason Miech, Yonghoon Choi, Joshua P. DiGangi, Glenn S. Diskin, Abby Sebol, Erin R. Delaria, Reem A. Hannun, Jason M. St. Clair, Glenn M. Wolfe, Changmin Cho, Courtney Owen, Kirk Lesko, Alessandro Franchin, Edward L. Winstead, Luke D. Ziemba, Richard Moore, Elizabeth B. Wiggins, Guy Symonds, Dongwook Kim, Douglas A. Day, Pedro Campuzano-Jost, Jose L. Jimenez, Kirk Ullmann, Samuel R. Hall, James H. Crawford, and L. Gregory Huey
EGUsphere, https://doi.org/10.5194/egusphere-2025-6264, https://doi.org/10.5194/egusphere-2025-6264, 2026
Short summary
Short summary
We flew a large variety of instruments on the NASA DC-8 research aircraft to measure pollution over South Korea in the winter of 2024. This works focuses on acyl peroxynitrates (PANs for short) which are formed by chemistry in air. We found high levels of PANs often associated with industrial emissions of pollutants such as ethanol and ethylene oxide. This work helps to understand how to reduce pollution of this sort.
Mary C. Barth, Pedro Campuzano-Jost, Gustavo Cuchiara, Ajay Parottil, Jose L. Jimenez, Miguel Ricardo A. Hilario, Genevieve Rose Lorenzo, and Armin Sorooshian
EGUsphere, https://doi.org/10.5194/egusphere-2025-6552, https://doi.org/10.5194/egusphere-2025-6552, 2026
Short summary
Short summary
We analyze aircraft observations taken in the inflow and upper troposphere outflow regions of ten convective storms to determine aerosol mass scavenging efficiencies. More than 75 % of sulfate and ammonium in all storms and organic aerosols in severe storms are scavenged. Nitrate aerosols have more moderate scavenging efficiencies. Lightning-NOx production and aqueous-phase chemistry can affect outflow concentrations. These results are useful for evaluating chemical transport models.
Yuwei Wang, Aristeidis Voliotis, Emily Matthews, Rongrong Wu, Milan Roska, Max Gerrit Adam, René Dubus, Lukas Kesper, Franz Rohrer, Robert Wegener, Benjamin Winter, Kelvin H. Bates, Quanfu He, Thorsten Hohaus, Achim Grasse, Ralf Tillmann, Andreas Wahner, Hui Wang, Christian Wesolek, Sergej Wedel, Yizhen Wu, Sören R. Zorn, Manjula Canagaratna, Douglas Worsnop, Felipe Lopez-Hilfiker, Georgios I. Gkatzelis, Hugh Coe, and Thomas J. Bannan
EGUsphere, https://doi.org/10.5194/egusphere-2025-6102, https://doi.org/10.5194/egusphere-2025-6102, 2026
Short summary
Short summary
This work developed voltage scanning based calibration approach for a multi-reagent chemical ionization mass spectrometry. This approach improves sensitivity determination for gas-phase compounds. It does not require a calibrant for the target analyte and can estimate sensitivity with acceptable uncertainty based on the experimentally established relationship between binding energies and measured sensitivities. This work is broadly relevant to mass-spectrometric calibration strategies.
Farhan R. Nursanto, Quanfu He, Sophia van de Wouw, Annika Zanders, Thorsten Hohaus, Willem S. J. Kroese, Robert Wegener, Max Gerrit Adam, Benjamin Winter, René Dubus, Lukas Kesper, Franz Rohrer, Yuwei Wang, Emily Matthews, Aristeidis Voliotis, Thomas J. Bannan, Gordon McFiggans, Hugh Coe, Yizhen Wu, Milan Roska, Manjula Canagaratna, Mitch Alton, Matthew M. Coggon, Chelsea E. Stockwell, Kelvin H. Bates, Eva Y. Pfannerstill, Sören R. Zorn, Hui Wang, Matthieu Riva, Sebastien Perrier, Boxing Yang, Lu Liu, Anna Novelli, Michelle Färber, Hendrik Fuchs, Andrea Carolina Marcillo Lara, Achim Grasse, Christian Wesolek, Ralf Tillmann, Rupert Holzinger, Maarten C. Krol, Georgios I. Gkatzelis, and Juliane L. Fry
EGUsphere, https://doi.org/10.5194/egusphere-2025-6310, https://doi.org/10.5194/egusphere-2025-6310, 2026
Short summary
Short summary
Urban air contains reactive gases that can form organic nitrate particles and carry nitrogen oxides pollution far from cities. We recreated urban emissions in a large atmospheric chamber and observed their reactions under day and night conditions. We found that these emissions form organic nitrate particles similar to those from natural sources, with higher amounts and heavier particles at night, making nitrogen pollution longer lived and likely to travel further before depositing on ecosystems.
Richard Ferrare, Johnathan Hair, Taylor Shingler, Chris Hostetler, Amin Nehrir, Marta Fenn, Amy Jo Scarino, Sharon Burton, Marian Clayton, James Collins, Laura Judd, James Crawford, Katherine Travis, Travis Toth, Pablo Saide, Jose Luis Jimenez, Pedro Campuzano-Jost, Guy Symonds, Richard Moore, Luke Ziemba, Michael Shook, Glenn Diskin, Joshua P. DiGangi, Ryan Bennett, Chia-Hsiang Ho, Lim-Seok Chang, Adisak Aiampisanuvong, and Ittipol Pawarmart
Atmos. Meas. Tech., 18, 7735–7766, https://doi.org/10.5194/amt-18-7735-2025, https://doi.org/10.5194/amt-18-7735-2025, 2025
Short summary
Short summary
We present a new method to retrieve atmospheric particulate matter concentrations using only airborne High Spectral Resolution Lidar measurements in machine learning algorithms. Retrieved concentrations agree well with surface measurements. These concentrations and our estimates of the particle mass extinction efficiency are also consistent with those retrieved from airborne in situ measurements. This methodology can also be applied to the Atmosphere Lidar on the EarthCARE satellite.
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
Atmos. Chem. Phys., 25, 17107–17124, https://doi.org/10.5194/acp-25-17107-2025, https://doi.org/10.5194/acp-25-17107-2025, 2025
Short summary
Short summary
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.
Andre F. Schaum, Kelvin H. Bates, Kyung-Eun Min, Faith Myers, Emmaline R. Longnecker, Manjula R. Canagaratna, Mitchell W. Alton, and Paul J. Ziemann
Aerosol Research, 3, 557–568, https://doi.org/10.5194/ar-3-557-2025, https://doi.org/10.5194/ar-3-557-2025, 2025
Short summary
Short summary
Organic aerosols consist of complex chemical mixtures that are challenging to characterize using chemical ionization mass spectrometry alone. This study presents a method for coupling liquid chromatography and chemical ionization mass spectrometry for the offline analysis of organic aerosols. The evaluation of the method using standards and laboratory-generated and field-collected organic aerosols showed that it can provide detailed characterization of environmentally relevant mixtures.
Matthew J. Rowlinson, Lucy J. Carpenter, Mat J. Evans, James D. Lee, Simone T. Andersen, Tomas Sherwen, Anna B. Callaghan, Roberto Sommariva, William Bloss, Siqi Hou, Leigh R. Crilley, Klaus Pfeilsticker, Benjamin Weyland, Thomas B. Ryerson, Patrick R. Veres, Pedro Campuzano-Jost, Hongyu Guo, Benjamin A. Nault, Jose L. Jimenez, and Khanneh Wadinga Fomba
Atmos. Chem. Phys., 25, 16945–16968, https://doi.org/10.5194/acp-25-16945-2025, https://doi.org/10.5194/acp-25-16945-2025, 2025
Short summary
Short summary
HONO is key to tropospheric chemistry. Observations show high HONO concentrations in remote air, possibly explained by nitrate aerosol photolysis. We use observations to parameterize nitrate photolysis, evaluating simulated HONO against observations from multiple sources. We show improved agreement with observed HONO, but overestimates in NOx and O3, beyond observational constraints. This implies uncertainties in the NOx budget and our understanding of atmospheric chemistry.
Sara L. Farrell, Quazi Z. Rasool, Havala O. T. Pye, Yue Zhang, Ying Li, Yuzhi Chen, Chi-Tsan Wang, Haofei Zhang, Ryan Schmedding, Manabu Shiraiwa, Jaime Greene, Sri H. Budisulistiorini, Jose L. Jimenez, Weiwei Hu, Jason D. Surratt, and William Vizuete
EGUsphere, https://doi.org/10.5194/egusphere-2025-2253, https://doi.org/10.5194/egusphere-2025-2253, 2025
Short summary
Short summary
Fine particulate matter (PM2.5) has become increasingly important to regulate and model. In this study, we parameterize non-ideal aerosol mixing and phase state into the Community Multiscale Air Quality (CMAQ) model and analyze its impact on the formation of a globally important source of PM2.5, isoprene epoxydiol (IEPOX)-derived PM2.5. Incorporating these features furthers model bias in IEPOX-derived PM2.5, however, this work provides potential phase state bounds for future PM2.5 modeling work.
Dongwook Kim, Pedro Campuzano-Jost, Hongyu Guo, Douglas A. Day, Da Yang, Suresh Dhaniyala, Leah Williams, Philip Croteau, John Jayne, Douglas Worsnop, Rainer Volkamer, and Jose L. Jimenez
Aerosol Research, 3, 371–404, https://doi.org/10.5194/ar-3-371-2025, https://doi.org/10.5194/ar-3-371-2025, 2025
Short summary
Short summary
Quantitative real-time aerosol sampling on board aircraft platforms is challenging, especially at higher altitudes. Herein, we present comprehensive analyses of a new aircraft inlet system and tools for aerosol beam diagnostics for aerosol mass spectrometers (AMSs). The beam focusing of aerodynamic lenses and the thermal decomposition on the vaporizer were investigated. The new inlet system can be operated at higher altitudes while sampling aerosols over a broader size range than previous versions.
Olivia G. Norman, Colette L. Heald, Solomon Bililign, Pedro Campuzano-Jost, Hugh Coe, Marc N. Fiddler, Jaime R. Green, Jose L. Jimenez, Katharina Kaiser, Jin Liao, Ann M. Middlebrook, Benjamin A. Nault, John B. Nowak, Johannes Schneider, and André Welti
Atmos. Chem. Phys., 25, 771–795, https://doi.org/10.5194/acp-25-771-2025, https://doi.org/10.5194/acp-25-771-2025, 2025
Short summary
Short summary
This study finds that one component of secondary inorganic aerosols, nitrate, is greatly overestimated by a global atmospheric chemistry model compared to observations from 11 flight campaigns. None of the loss and production pathways explored can explain the nitrate bias alone. The model’s inability to capture the variability in the observations remains and requires future investigation to avoid biases in policy-related studies (i.e., air quality, health, climate impacts of these aerosols).
Deepangsu Chatterjee, Randall V. Martin, Chi Li, Dandan Zhang, Haihui Zhu, Daven K. Henze, James H. Crawford, Ronald C. Cohen, Lok N. Lamsal, and Alexander M. Cede
Atmos. Chem. Phys., 24, 12687–12706, https://doi.org/10.5194/acp-24-12687-2024, https://doi.org/10.5194/acp-24-12687-2024, 2024
Short summary
Short summary
We investigate the hourly variation of NO2 columns and surface concentrations by applying the GEOS-Chem model to interpret aircraft and ground-based measurements over the US and Pandora sun photometer measurements over the US, Europe, and Asia. Corrections to the Pandora columns and finer model resolution improve the modeled representation of the summertime hourly variation of total NO2 columns to explain the weaker hourly variation in NO2 columns than at the surface.
Kouji Adachi, Jack E. Dibb, Joseph M. Katich, Joshua P. Schwarz, Hongyu Guo, Pedro Campuzano-Jost, Jose L. Jimenez, Jeff Peischl, Christopher D. Holmes, and James Crawford
Atmos. Chem. Phys., 24, 10985–11004, https://doi.org/10.5194/acp-24-10985-2024, https://doi.org/10.5194/acp-24-10985-2024, 2024
Short summary
Short summary
We examined aerosol particles from wildfires and identified tarballs (TBs) from the Fire Influence on Regional to Global Environments and Air Quality (FIREX-AQ) campaign. This study reveals the compositions, abundance, sizes, and mixing states of TBs and shows that TBs formed as the smoke aged for up to 5 h. This study provides measurements of TBs from various biomass-burning events and ages, enhancing our knowledge of TB emissions and our understanding of their climate impact.
Benjamin A. Nault, Katherine R. Travis, James H. Crawford, Donald R. Blake, Pedro Campuzano-Jost, Ronald C. Cohen, Joshua P. DiGangi, Glenn S. Diskin, Samuel R. Hall, L. Gregory Huey, Jose L. Jimenez, Kyung-Eun Min, Young Ro Lee, Isobel J. Simpson, Kirk Ullmann, and Armin Wisthaler
Atmos. Chem. Phys., 24, 9573–9595, https://doi.org/10.5194/acp-24-9573-2024, https://doi.org/10.5194/acp-24-9573-2024, 2024
Short summary
Short summary
Ozone (O3) is a pollutant formed from the reactions of gases emitted from various sources. In urban areas, the density of human activities can increase the O3 formation rate (P(O3)), thus impacting air quality and health. Observations collected over Seoul, South Korea, are used to constrain P(O3). A high local P(O3) was found; however, local P(O3) was partly reduced due to compounds typically ignored. These observations also provide constraints for unmeasured compounds that will impact P(O3).
Tianle Pan, Andrew T. Lambe, Weiwei Hu, Yicong He, Minghao Hu, Huaishan Zhou, Xinming Wang, Qingqing Hu, Hui Chen, Yue Zhao, Yuanlong Huang, Doug R. Worsnop, Zhe Peng, Melissa A. Morris, Douglas A. Day, Pedro Campuzano-Jost, Jose-Luis Jimenez, and Shantanu H. Jathar
Atmos. Meas. Tech., 17, 4915–4939, https://doi.org/10.5194/amt-17-4915-2024, https://doi.org/10.5194/amt-17-4915-2024, 2024
Short summary
Short summary
This study systematically characterizes the temperature enhancement in the lamp-enclosed oxidation flow reactor (OFR). The enhancement varied multiple dimensional factors, emphasizing the complexity of temperature inside of OFR. The effects of temperature on the flow field and gas- or particle-phase reaction inside OFR were also evaluated with experiments and model simulations. Finally, multiple mitigation strategies were demonstrated to minimize this temperature increase.
Irene C. Dedoussi, Daven K. Henze, Sebastian D. Eastham, Raymond L. Speth, and Steven R. H. Barrett
Geosci. Model Dev., 17, 5689–5703, https://doi.org/10.5194/gmd-17-5689-2024, https://doi.org/10.5194/gmd-17-5689-2024, 2024
Short summary
Short summary
Atmospheric model gradients provide a meaningful tool for better understanding the underlying atmospheric processes. Adjoint modeling enables computationally efficient gradient calculations. We present the adjoint of the GEOS-Chem unified chemistry extension (UCX). With this development, the GEOS-Chem adjoint model can capture stratospheric ozone and other processes jointly with tropospheric processes. We apply it to characterize the Antarctic ozone depletion potential of active halogen species.
Zhendong Lu, Jun Wang, Yi Wang, Daven K. Henze, Xi Chen, Tong Sha, and Kang Sun
Atmos. Chem. Phys., 24, 7793–7813, https://doi.org/10.5194/acp-24-7793-2024, https://doi.org/10.5194/acp-24-7793-2024, 2024
Short summary
Short summary
In contrast with past work showing that the reduction of emissions was the dominant factor for the nationwide increase of surface O3 during the lockdown in China, this study finds that the variation in meteorology (temperature and other parameters) plays a more important role. This result is obtained through sensitivity simulations using a chemical transport model constrained by satellite (TROPOMI) data and calibrated with surface observations.
Melinda K. Schueneman, Douglas A. Day, Dongwook Kim, Pedro Campuzano-Jost, Seonsik Yun, Marla P. DeVault, Anna C. Ziola, Paul J. Ziemann, and Jose L. Jimenez
Aerosol Research, 2, 59–76, https://doi.org/10.5194/ar-2-59-2024, https://doi.org/10.5194/ar-2-59-2024, 2024
Short summary
Short summary
Our study presents a novel method for quantifying mass spectrometer responses to molecular species in organic aerosols. Traditional calibrations often fail for complex mixtures like secondary organic aerosol. We combined chromatography with statistical component analysis to improve separation and quantification, achieving promising agreement with direct calibration. Our findings offer a new approach to assess aerosol composition, especially beneficial for complex mixtures.
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
Atmos. Meas. Tech., 17, 2387–2400, https://doi.org/10.5194/amt-17-2387-2024, https://doi.org/10.5194/amt-17-2387-2024, 2024
Short summary
Short summary
In a warm cloud seeding experiment hygroscopic particles are released to alter cloud processes to induce early raindrops. During the Cloud–Aerosol Interaction and Precipitation Enhancement Experiment, airborne mini aerosol mass spectrometers analyse the particles on which clouds form. The seeded clouds showed higher concentrations of chlorine and potassium, the oxidizing agents of flares. Small cloud droplet concentrations increased, and seeding particles were detected in deep cloud depths.
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
Short summary
Short summary
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.
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
Short summary
Short summary
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.
Huisheng Bian, Mian Chin, Peter R. Colarco, Eric C. Apel, Donald R. Blake, Karl Froyd, Rebecca S. Hornbrook, Jose Jimenez, Pedro Campuzano Jost, Michael Lawler, Mingxu Liu, Marianne Tronstad Lund, Hitoshi Matsui, Benjamin A. Nault, Joyce E. Penner, Andrew W. Rollins, Gregory Schill, Ragnhild B. Skeie, Hailong Wang, Lu Xu, Kai Zhang, and Jialei Zhu
Atmos. Chem. Phys., 24, 1717–1741, https://doi.org/10.5194/acp-24-1717-2024, https://doi.org/10.5194/acp-24-1717-2024, 2024
Short summary
Short summary
This work studies sulfur in the remote troposphere at global and seasonal scales using aircraft measurements and multi-model simulations. The goal is to understand the sulfur cycle over remote oceans, spread of model simulations, and observation–model discrepancies. Such an understanding and comparison with real observations are crucial to narrow down the uncertainties in model sulfur simulations and improve understanding of the sulfur cycle in atmospheric air quality, climate, and ecosystems.
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
Short summary
Short summary
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.
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
Short summary
Short summary
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.
Sohyeon Jeon, Michael J. Walker, Donna T. Sueper, Douglas A. Day, Anne V. Handschy, Jose L. Jimenez, and Brent J. Williams
Atmos. Meas. Tech., 16, 6075–6095, https://doi.org/10.5194/amt-16-6075-2023, https://doi.org/10.5194/amt-16-6075-2023, 2023
Short summary
Short summary
A searchable database tool for the Aerosol Mass Spectrometer (AMS) and Aerosol Chemical Speciation Monitor (ACSM) mass spectral datasets was built to improve the efficiency of data analysis using Igor Pro. The tool incorporates the published mass spectra (MS) and sample information uploaded on the website. The tool allows users to compare their own mass spectrum with the reference MS in the database.
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
Short summary
Short summary
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.
Mitchell W. Alton, Harald J. Stark, Manjula R. Canagaratna, and Eleanor C. Browne
Atmos. Meas. Tech., 16, 3273–3282, https://doi.org/10.5194/amt-16-3273-2023, https://doi.org/10.5194/amt-16-3273-2023, 2023
Short summary
Short summary
Mass spectrometric measurements of atmospheric composition routinely detect hundreds of different ions of varying chemical composition, creating challenges for visualization and data interpretation. We present a new analysis technique to facilitate visualization, while providing greater chemical insight. Additionally, it can aid in identifying the chemical composition of ions. A graphical user interface for performing the analysis is introduced and freely available, enabling broad applications.
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
Short summary
Short summary
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.
Haihui Zhu, Randall V. Martin, Betty Croft, Shixian Zhai, Chi Li, Liam Bindle, Jeffrey R. Pierce, Rachel Y.-W. Chang, Bruce E. Anderson, Luke D. Ziemba, Johnathan W. Hair, Richard A. Ferrare, Chris A. Hostetler, Inderjeet Singh, Deepangsu Chatterjee, Jose L. Jimenez, Pedro Campuzano-Jost, Benjamin A. Nault, Jack E. Dibb, Joshua S. Schwarz, and Andrew Weinheimer
Atmos. Chem. Phys., 23, 5023–5042, https://doi.org/10.5194/acp-23-5023-2023, https://doi.org/10.5194/acp-23-5023-2023, 2023
Short summary
Short summary
Particle size of atmospheric aerosol is important for estimating its climate and health effects, but simulating atmospheric aerosol size is computationally demanding. This study derives a simple parameterization of the size of organic and secondary inorganic ambient aerosol that can be applied to atmospheric models. Applying this parameterization allows a better representation of the global spatial pattern of aerosol size, as verified by ground and airborne measurements.
Forwood Wiser, Bryan K. Place, Siddhartha Sen, Havala O. T. Pye, Benjamin Yang, Daniel M. Westervelt, Daven K. Henze, Arlene M. Fiore, and V. Faye McNeill
Geosci. Model Dev., 16, 1801–1821, https://doi.org/10.5194/gmd-16-1801-2023, https://doi.org/10.5194/gmd-16-1801-2023, 2023
Short summary
Short summary
We developed a reduced model of atmospheric isoprene oxidation, AMORE-Isoprene 1.0. It was created using a new Automated Model Reduction (AMORE) method designed to simplify complex chemical mechanisms with minimal manual adjustments to the output. AMORE-Isoprene 1.0 has improved accuracy and similar size to other reduced isoprene mechanisms. When included in the CRACMM mechanism, it improved the accuracy of EPA’s CMAQ model predictions for the northeastern USA compared to observations.
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
Short summary
Short summary
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.
Xueying Yu, Dylan B. Millet, Daven K. Henze, Alexander J. Turner, Alba Lorente Delgado, A. Anthony Bloom, and Jianxiong Sheng
Atmos. Chem. Phys., 23, 3325–3346, https://doi.org/10.5194/acp-23-3325-2023, https://doi.org/10.5194/acp-23-3325-2023, 2023
Short summary
Short summary
We combine satellite measurements with a novel downscaling method to map global methane emissions at 0.1°×0.1° resolution. These fine-scale emission estimates reveal unreported emission hotspots and shed light on the roles of agriculture, wetlands, and fossil fuels for regional methane budgets. The satellite-derived emissions point in particular to missing fossil fuel emissions in the Middle East and to a large emission underestimate in South Asia that appears to be tied to monsoon rainfall.
Laura Tomsche, Felix Piel, Tomas Mikoviny, Claus J. Nielsen, Hongyu Guo, Pedro Campuzano-Jost, Benjamin A. Nault, Melinda K. Schueneman, Jose L. Jimenez, Hannah Halliday, Glenn Diskin, Joshua P. DiGangi, John B. Nowak, Elizabeth B. Wiggins, Emily Gargulinski, Amber J. Soja, and Armin Wisthaler
Atmos. Chem. Phys., 23, 2331–2343, https://doi.org/10.5194/acp-23-2331-2023, https://doi.org/10.5194/acp-23-2331-2023, 2023
Short summary
Short summary
Ammonia (NH3) is an important trace gas in the atmosphere and fires are among the poorly investigated sources. During the 2019 Fire Influence on Regional to Global Environments and Air Quality (FIREX-AQ) aircraft campaign, we measured gaseous NH3 and particulate ammonium (NH4+) in smoke plumes emitted from 6 wildfires in the Western US and 66 small agricultural fires in the Southeastern US. We herein present a comprehensive set of emission factors of NH3 and NHx, where NHx = NH3 + NH4+.
Viral Shah, Daniel J. Jacob, Ruijun Dang, Lok N. Lamsal, Sarah A. Strode, Stephen D. Steenrod, K. Folkert Boersma, Sebastian D. Eastham, Thibaud M. Fritz, Chelsea Thompson, Jeff Peischl, Ilann Bourgeois, Ilana B. Pollack, Benjamin A. Nault, Ronald C. Cohen, Pedro Campuzano-Jost, Jose L. Jimenez, Simone T. Andersen, Lucy J. Carpenter, Tomás Sherwen, and Mat J. Evans
Atmos. Chem. Phys., 23, 1227–1257, https://doi.org/10.5194/acp-23-1227-2023, https://doi.org/10.5194/acp-23-1227-2023, 2023
Short summary
Short summary
NOx in the free troposphere (above 2 km) affects global tropospheric chemistry and the retrieval and interpretation of satellite NO2 measurements. We evaluate free tropospheric NOx in global atmospheric chemistry models and find that recycling NOx from its reservoirs over the oceans is faster than that simulated in the models, resulting in increases in simulated tropospheric ozone and OH. Over the U.S., free tropospheric NO2 contributes the majority of the tropospheric NO2 column in summer.
Qing Ye, Matthew B. Goss, Jordan E. Krechmer, Francesca Majluf, Alexander Zaytsev, Yaowei Li, Joseph R. Roscioli, Manjula Canagaratna, Frank N. Keutsch, Colette L. Heald, and Jesse H. Kroll
Atmos. Chem. Phys., 22, 16003–16015, https://doi.org/10.5194/acp-22-16003-2022, https://doi.org/10.5194/acp-22-16003-2022, 2022
Short summary
Short summary
The atmospheric oxidation of dimethyl sulfide (DMS) is a major natural source of sulfate particles in the atmosphere. However, its mechanism is poorly constrained. In our work, laboratory measurements and mechanistic modeling were conducted to comprehensively investigate DMS oxidation products and key reaction rates. We find that the peroxy radical (RO2) has a controlling effect on product distribution and aerosol yield, with the isomerization of RO2 leading to the suppression of aerosol yield.
Pamela S. Rickly, Hongyu Guo, Pedro Campuzano-Jost, Jose L. Jimenez, Glenn M. Wolfe, Ryan Bennett, Ilann Bourgeois, John D. Crounse, Jack E. Dibb, Joshua P. DiGangi, Glenn S. Diskin, Maximilian Dollner, Emily M. Gargulinski, Samuel R. Hall, Hannah S. Halliday, Thomas F. Hanisco, Reem A. Hannun, Jin Liao, Richard Moore, Benjamin A. Nault, John B. Nowak, Jeff Peischl, Claire E. Robinson, Thomas Ryerson, Kevin J. Sanchez, Manuel Schöberl, Amber J. Soja, Jason M. St. Clair, Kenneth L. Thornhill, Kirk Ullmann, Paul O. Wennberg, Bernadett Weinzierl, Elizabeth B. Wiggins, Edward L. Winstead, and Andrew W. Rollins
Atmos. Chem. Phys., 22, 15603–15620, https://doi.org/10.5194/acp-22-15603-2022, https://doi.org/10.5194/acp-22-15603-2022, 2022
Short summary
Short summary
Biomass burning sulfur dioxide (SO2) emission factors range from 0.27–1.1 g kg-1 C. Biomass burning SO2 can quickly form sulfate and organosulfur, but these pathways are dependent on liquid water content and pH. Hydroxymethanesulfonate (HMS) appears to be directly emitted from some fire sources but is not the sole contributor to the organosulfur signal. It is shown that HMS and organosulfur chemistry may be an important S(IV) reservoir with the fate dependent on the surrounding conditions.
Youhua Tang, Patrick C. Campbell, Pius Lee, Rick Saylor, Fanglin Yang, Barry Baker, Daniel Tong, Ariel Stein, Jianping Huang, Ho-Chun Huang, Li Pan, Jeff McQueen, Ivanka Stajner, Jose Tirado-Delgado, Youngsun Jung, Melissa Yang, Ilann Bourgeois, Jeff Peischl, Tom Ryerson, Donald Blake, Joshua Schwarz, Jose-Luis Jimenez, James Crawford, Glenn Diskin, Richard Moore, Johnathan Hair, Greg Huey, Andrew Rollins, Jack Dibb, and Xiaoyang Zhang
Geosci. Model Dev., 15, 7977–7999, https://doi.org/10.5194/gmd-15-7977-2022, https://doi.org/10.5194/gmd-15-7977-2022, 2022
Short summary
Short summary
This paper compares two meteorological datasets for driving a regional air quality model: a regional meteorological model using WRF (WRF-CMAQ) and direct interpolation from an operational global model (GFS-CMAQ). In the comparison with surface measurements and aircraft data in summer 2019, these two methods show mixed performance depending on the corresponding meteorological settings. Direct interpolation is found to be a viable method to drive air quality models.
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
Short summary
Short summary
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.
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
Short summary
Short summary
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.
Aditya Kumar, R. Bradley Pierce, Ravan Ahmadov, Gabriel Pereira, Saulo Freitas, Georg Grell, Chris Schmidt, Allen Lenzen, Joshua P. Schwarz, Anne E. Perring, Joseph M. Katich, John Hair, Jose L. Jimenez, Pedro Campuzano-Jost, and Hongyu Guo
Atmos. Chem. Phys., 22, 10195–10219, https://doi.org/10.5194/acp-22-10195-2022, https://doi.org/10.5194/acp-22-10195-2022, 2022
Short summary
Short summary
We use the WRF-Chem model with new implementations of GOES-16 wildfire emissions and plume rise based on fire radiative power (FRP) to interpret aerosol observations during the 2019 NASA–NOAA FIREX-AQ field campaign and perform model evaluations. The model shows significant improvements in simulating the variety of aerosol loading environments sampled during FIREX-AQ. Our results also highlight the importance of accurate wildfire diurnal cycle and aerosol chemical mechanisms in models.
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
Short summary
Short summary
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.
Katherine R. Travis, James H. Crawford, Gao Chen, Carolyn E. Jordan, Benjamin A. Nault, Hwajin Kim, Jose L. Jimenez, Pedro Campuzano-Jost, Jack E. Dibb, Jung-Hun Woo, Younha Kim, Shixian Zhai, Xuan Wang, Erin E. McDuffie, Gan Luo, Fangqun Yu, Saewung Kim, Isobel J. Simpson, Donald R. Blake, Limseok Chang, and Michelle J. Kim
Atmos. Chem. Phys., 22, 7933–7958, https://doi.org/10.5194/acp-22-7933-2022, https://doi.org/10.5194/acp-22-7933-2022, 2022
Short summary
Short summary
The 2016 Korea–United States Air Quality (KORUS-AQ) field campaign provided a unique set of observations to improve our understanding of PM2.5 pollution in South Korea. Models typically have errors in simulating PM2.5 in this region, which is of concern for the development of control measures. We use KORUS-AQ observations to improve our understanding of the mechanisms driving PM2.5 and the implications of model errors for determining PM2.5 that is attributable to local or foreign sources.
Glenn M. Wolfe, Thomas F. Hanisco, Heather L. Arkinson, Donald R. Blake, Armin Wisthaler, Tomas Mikoviny, Thomas B. Ryerson, Ilana Pollack, Jeff Peischl, Paul O. Wennberg, John D. Crounse, Jason M. St. Clair, Alex Teng, L. Gregory Huey, Xiaoxi Liu, Alan Fried, Petter Weibring, Dirk Richter, James Walega, Samuel R. Hall, Kirk Ullmann, Jose L. Jimenez, Pedro Campuzano-Jost, T. Paul Bui, Glenn Diskin, James R. Podolske, Glen Sachse, and Ronald C. Cohen
Atmos. Chem. Phys., 22, 4253–4275, https://doi.org/10.5194/acp-22-4253-2022, https://doi.org/10.5194/acp-22-4253-2022, 2022
Short summary
Short summary
Smoke plumes are chemically complex. This work combines airborne observations of smoke plume composition with a photochemical model to probe the production of ozone and the fate of reactive gases in the outflow of a large wildfire. Model–measurement comparisons illustrate how uncertain emissions and chemical processes propagate into simulated chemical evolution. Results provide insight into how this system responds to perturbations, which can help guide future observation and modeling efforts.
Meloë S. F. Kacenelenbogen, Qian Tan, Sharon P. Burton, Otto P. Hasekamp, Karl D. Froyd, Yohei Shinozuka, Andreas J. Beyersdorf, Luke Ziemba, Kenneth L. Thornhill, Jack E. Dibb, Taylor Shingler, Armin Sorooshian, Reed W. Espinosa, Vanderlei Martins, Jose L. Jimenez, Pedro Campuzano-Jost, Joshua P. Schwarz, Matthew S. Johnson, Jens Redemann, and Gregory L. Schuster
Atmos. Chem. Phys., 22, 3713–3742, https://doi.org/10.5194/acp-22-3713-2022, https://doi.org/10.5194/acp-22-3713-2022, 2022
Short summary
Short summary
The impact of aerosols on Earth's radiation budget and human health is important and strongly depends on their composition. One desire of our scientific community is to derive the composition of the aerosol from satellite sensors. However, satellites observe aerosol optical properties (and not aerosol composition) based on remote sensing instrumentation. This study assesses how much aerosol optical properties can tell us about aerosol composition.
Ka Ming Fung, Colette L. Heald, Jesse H. Kroll, Siyuan Wang, Duseong S. Jo, Andrew Gettelman, Zheng Lu, Xiaohong Liu, Rahul A. Zaveri, Eric C. Apel, Donald R. Blake, Jose-Luis Jimenez, Pedro Campuzano-Jost, Patrick R. Veres, Timothy S. Bates, John E. Shilling, and Maria Zawadowicz
Atmos. Chem. Phys., 22, 1549–1573, https://doi.org/10.5194/acp-22-1549-2022, https://doi.org/10.5194/acp-22-1549-2022, 2022
Short summary
Short summary
Understanding the natural aerosol burden in the preindustrial era is crucial for us to assess how atmospheric aerosols affect the Earth's radiative budgets. Our study explores how a detailed description of dimethyl sulfide (DMS) oxidation (implemented in the Community Atmospheric Model version 6 with chemistry, CAM6-chem) could help us better estimate the present-day and preindustrial concentrations of sulfate and other relevant chemicals, as well as the resulting aerosol radiative impacts.
Douglas A. Day, Pedro Campuzano-Jost, Benjamin A. Nault, Brett B. Palm, Weiwei Hu, Hongyu Guo, Paul J. Wooldridge, Ronald C. Cohen, Kenneth S. Docherty, J. Alex Huffman, Suzane S. de Sá, Scot T. Martin, and Jose L. Jimenez
Atmos. Meas. Tech., 15, 459–483, https://doi.org/10.5194/amt-15-459-2022, https://doi.org/10.5194/amt-15-459-2022, 2022
Short summary
Short summary
Particle-phase nitrates are an important component of atmospheric aerosols and chemistry. In this paper, we systematically explore the application of aerosol mass spectrometry (AMS) to quantify the organic and inorganic nitrate fractions of aerosols in the atmosphere. While AMS has been used for a decade to quantify nitrates, methods are not standardized. We make recommendations for a more universal approach based on this analysis of a large range of field and laboratory observations.
Dongwook Kim, Changmin Cho, Seokhan Jeong, Soojin Lee, Benjamin A. Nault, Pedro Campuzano-Jost, Douglas A. Day, Jason C. Schroder, Jose L. Jimenez, Rainer Volkamer, Donald R. Blake, Armin Wisthaler, Alan Fried, Joshua P. DiGangi, Glenn S. Diskin, Sally E. Pusede, Samuel R. Hall, Kirk Ullmann, L. Gregory Huey, David J. Tanner, Jack Dibb, Christoph J. Knote, and Kyung-Eun Min
Atmos. Chem. Phys., 22, 805–821, https://doi.org/10.5194/acp-22-805-2022, https://doi.org/10.5194/acp-22-805-2022, 2022
Short summary
Short summary
CHOCHO was simulated using a 0-D box model constrained by measurements during the KORUS-AQ mission. CHOCHO concentration was high in large cities, aromatics being the most important precursors. Loss path to aerosol was the highest sink, contributing to ~ 20 % of secondary organic aerosol formation. Our work highlights that simple CHOCHO surface uptake approach is valid only for low aerosol conditions and more work is required to understand CHOCHO solubility in high-aerosol conditions.
Xueying Yu, Dylan B. Millet, and Daven K. Henze
Geosci. Model Dev., 14, 7775–7793, https://doi.org/10.5194/gmd-14-7775-2021, https://doi.org/10.5194/gmd-14-7775-2021, 2021
Short summary
Short summary
We conduct observing system simulation experiments to test how well inverse analyses of high-resolution satellite data from sensors such as TROPOMI can quantify methane emissions. Inversions can improve monthly flux estimates at 25 km even with a spatially biased prior or model transport errors, but results are strongly degraded when both are present. We further evaluate a set of alternate formalisms to overcome limitations of the widely used scale factor approach that arise for missing sources.
Shixian Zhai, Daniel J. Jacob, Jared F. Brewer, Ke Li, Jonathan M. Moch, Jhoon Kim, Seoyoung Lee, Hyunkwang Lim, Hyun Chul Lee, Su Keun Kuk, Rokjin J. Park, Jaein I. Jeong, Xuan Wang, Pengfei Liu, Gan Luo, Fangqun Yu, Jun Meng, Randall V. Martin, Katherine R. Travis, Johnathan W. Hair, Bruce E. Anderson, Jack E. Dibb, Jose L. Jimenez, Pedro Campuzano-Jost, Benjamin A. Nault, Jung-Hun Woo, Younha Kim, Qiang Zhang, and Hong Liao
Atmos. Chem. Phys., 21, 16775–16791, https://doi.org/10.5194/acp-21-16775-2021, https://doi.org/10.5194/acp-21-16775-2021, 2021
Short summary
Short summary
Geostationary satellite aerosol optical depth (AOD) has tremendous potential for monitoring surface fine particulate matter (PM2.5). Our study explored the physical relationship between AOD and PM2.5 by integrating data from surface networks, aircraft, and satellites with the GEOS-Chem chemical transport model. We quantitatively showed that accurate simulation of aerosol size distributions, boundary layer depths, relative humidity, coarse particles, and diurnal variations in PM2.5 are essential.
Dongyu S. Wang, Chuan Ping Lee, Jordan E. Krechmer, Francesca Majluf, Yandong Tong, Manjula R. Canagaratna, Julia Schmale, André S. H. Prévôt, Urs Baltensperger, Josef Dommen, Imad El Haddad, Jay G. Slowik, and David M. Bell
Atmos. Meas. Tech., 14, 6955–6972, https://doi.org/10.5194/amt-14-6955-2021, https://doi.org/10.5194/amt-14-6955-2021, 2021
Short summary
Short summary
To understand the sources and fate of particulate matter in the atmosphere, the ability to quantitatively describe its chemical composition is essential. In this work, we developed a calibration method for a state-of-the-art measurement technique without the need for chemical standards. Statistical analyses identified the driving factors behind instrument sensitivity variability towards individual components of particulate matter.
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
Short summary
Short summary
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.
Chenyang Bi, Jordan E. Krechmer, Manjula R. Canagaratna, and Gabriel Isaacman-VanWertz
Atmos. Meas. Tech., 14, 6551–6560, https://doi.org/10.5194/amt-14-6551-2021, https://doi.org/10.5194/amt-14-6551-2021, 2021
Short summary
Short summary
Calibration techniques have been recently developed to log-linearly correlate analyte sensitivity with CIMS operating conditions particularly for compounds without authentic standards. In this work, we examine the previously ignored bias in the log-linear-based calibration method and estimate an average bias of 30 %, with 1 order of magnitude for less sensitive compounds in some circumstances. A step-by-step guide was provided to reduce and even remove the bias.
Charles A. Brock, Karl D. Froyd, Maximilian Dollner, Christina J. Williamson, Gregory Schill, Daniel M. Murphy, Nicholas J. Wagner, Agnieszka Kupc, Jose L. Jimenez, Pedro Campuzano-Jost, Benjamin A. Nault, Jason C. Schroder, Douglas A. Day, Derek J. Price, Bernadett Weinzierl, Joshua P. Schwarz, Joseph M. Katich, Siyuan Wang, Linghan Zeng, Rodney Weber, Jack Dibb, Eric Scheuer, Glenn S. Diskin, Joshua P. DiGangi, ThaoPaul Bui, Jonathan M. Dean-Day, Chelsea R. Thompson, Jeff Peischl, Thomas B. Ryerson, Ilann Bourgeois, Bruce C. Daube, Róisín Commane, and Steven C. Wofsy
Atmos. Chem. Phys., 21, 15023–15063, https://doi.org/10.5194/acp-21-15023-2021, https://doi.org/10.5194/acp-21-15023-2021, 2021
Short summary
Short summary
The Atmospheric Tomography Mission was an airborne study that mapped the chemical composition of the remote atmosphere. From this, we developed a comprehensive description of aerosol properties that provides a unique, global-scale dataset against which models can be compared. The data show the polluted nature of the remote atmosphere in the Northern Hemisphere and quantify the contributions of sea salt, dust, soot, biomass burning particles, and pollution particles to the haziness of the sky.
Zhe Peng, Julia Lee-Taylor, Harald Stark, John J. Orlando, Bernard Aumont, and Jose L. Jimenez
Atmos. Chem. Phys., 21, 14649–14669, https://doi.org/10.5194/acp-21-14649-2021, https://doi.org/10.5194/acp-21-14649-2021, 2021
Short summary
Short summary
We use the fully explicit GECKO-A model to study the OH reactivity (OHR) evolution in the NO-free photooxidation of several volatile organic compounds. Oxidation progressively produces more saturated and functionalized species, then breaks them into small species. OHR per C atom evolution is similar for different precursors once saturated multifunctional species are formed. We also find that partitioning of these species to chamber walls leads to large deviations in chambers from the atmosphere.
Louise N. Jensen, Manjula R. Canagaratna, Kasper Kristensen, Lauriane L. J. Quéléver, Bernadette Rosati, Ricky Teiwes, Marianne Glasius, Henrik B. Pedersen, Mikael Ehn, and Merete Bilde
Atmos. Chem. Phys., 21, 11545–11562, https://doi.org/10.5194/acp-21-11545-2021, https://doi.org/10.5194/acp-21-11545-2021, 2021
Short summary
Short summary
This work targets the chemical composition of α-pinene-derived secondary organic aerosol (SOA) formed in the temperature range from -15 to 20°C. Experiments were conducted in an atmospheric simulation chamber. Positive matrix factorization analysis of data obtained by a high-resolution time-of-flight aerosol mass spectrometer shows that the elemental aerosol composition is controlled by the initial α-pinene concentration and temperature during SOA formation.
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
Short summary
Short summary
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.
Yenny Gonzalez, Róisín Commane, Ethan Manninen, Bruce C. Daube, Luke D. Schiferl, J. Barry McManus, Kathryn McKain, Eric J. Hintsa, James W. Elkins, Stephen A. Montzka, Colm Sweeney, Fred Moore, Jose L. Jimenez, Pedro Campuzano Jost, Thomas B. Ryerson, Ilann Bourgeois, Jeff Peischl, Chelsea R. Thompson, Eric Ray, Paul O. Wennberg, John Crounse, Michelle Kim, Hannah M. Allen, Paul A. Newman, Britton B. Stephens, Eric C. Apel, Rebecca S. Hornbrook, Benjamin A. Nault, Eric Morgan, and Steven C. Wofsy
Atmos. Chem. Phys., 21, 11113–11132, https://doi.org/10.5194/acp-21-11113-2021, https://doi.org/10.5194/acp-21-11113-2021, 2021
Short summary
Short summary
Vertical profiles of N2O and a variety of chemical species and aerosols were collected nearly from pole to pole over the oceans during the NASA Atmospheric Tomography mission. We observed that tropospheric N2O variability is strongly driven by the influence of stratospheric air depleted in N2O, especially at middle and high latitudes. We also traced the origins of biomass burning and industrial emissions and investigated their impact on the variability of tropospheric N2O.
Ilya Stanevich, Dylan B. A. Jones, Kimberly Strong, Martin Keller, Daven K. Henze, Robert J. Parker, Hartmut Boesch, Debra Wunch, Justus Notholt, Christof Petri, Thorsten Warneke, Ralf Sussmann, Matthias Schneider, Frank Hase, Rigel Kivi, Nicholas M. Deutscher, Voltaire A. Velazco, Kaley A. Walker, and Feng Deng
Atmos. Chem. Phys., 21, 9545–9572, https://doi.org/10.5194/acp-21-9545-2021, https://doi.org/10.5194/acp-21-9545-2021, 2021
Short summary
Short summary
We explore the utility of a weak-constraint (WC) four-dimensional variational (4D-Var) data assimilation scheme for mitigating systematic errors in methane simulation in the GEOS-Chem model. We use data from the Greenhouse Gases Observing Satellite (GOSAT) and show that, compared to the traditional 4D-Var approach, the WC scheme improves the agreement between the model and independent observations. We find that the WC corrections to the model provide insight into the source of the errors.
Richard H. Moore, Elizabeth B. Wiggins, Adam T. Ahern, Stephen Zimmerman, Lauren Montgomery, Pedro Campuzano Jost, Claire E. Robinson, Luke D. Ziemba, Edward L. Winstead, Bruce E. Anderson, Charles A. Brock, Matthew D. Brown, Gao Chen, Ewan C. Crosbie, Hongyu Guo, Jose L. Jimenez, Carolyn E. Jordan, Ming Lyu, Benjamin A. Nault, Nicholas E. Rothfuss, Kevin J. Sanchez, Melinda Schueneman, Taylor J. Shingler, Michael A. Shook, Kenneth L. Thornhill, Nicholas L. Wagner, and Jian Wang
Atmos. Meas. Tech., 14, 4517–4542, https://doi.org/10.5194/amt-14-4517-2021, https://doi.org/10.5194/amt-14-4517-2021, 2021
Short summary
Short summary
Atmospheric particles are everywhere and exist in a range of sizes, from a few nanometers to hundreds of microns. Because particle size determines the behavior of chemical and physical processes, accurately measuring particle sizes is an important and integral part of atmospheric field measurements! Here, we discuss the performance of two commonly used particle sizers and how changes in particle composition and optical properties may result in sizing uncertainties, which we quantify.
Na Zhao, Xinyi Dong, Kan Huang, Joshua S. Fu, Marianne Tronstad Lund, Kengo Sudo, Daven Henze, Tom Kucsera, Yun Fat Lam, Mian Chin, and Simone Tilmes
Atmos. Chem. Phys., 21, 8637–8654, https://doi.org/10.5194/acp-21-8637-2021, https://doi.org/10.5194/acp-21-8637-2021, 2021
Short summary
Short summary
Black carbon acts as a strong climate forcer, especially in vulnerable pristine regions such as the Arctic. This work utilizes ensemble modeling results from the task force Hemispheric Transport of Air Pollution Phase 2 to investigate the responses of Arctic black carbon and surface temperature to various source emission reductions. East Asia contributed the most to Arctic black carbon. The response of Arctic temperature to black carbon was substantially more sensitive than the global average.
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
Short summary
Short summary
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.
Hongyu Guo, Pedro Campuzano-Jost, Benjamin A. Nault, Douglas A. Day, Jason C. Schroder, Dongwook Kim, Jack E. Dibb, Maximilian Dollner, Bernadett Weinzierl, and Jose L. Jimenez
Atmos. Meas. Tech., 14, 3631–3655, https://doi.org/10.5194/amt-14-3631-2021, https://doi.org/10.5194/amt-14-3631-2021, 2021
Short summary
Short summary
We utilize a set of high-quality datasets collected during the NASA Atmospheric Tomography Mission to investigate the impact of differences in observable particle sizes across aerosol instruments in aerosol measurement comparisons. Very good agreement was found between chemically and physically derived submicron aerosol volume. Results support a lack of significant unknown biases in the response of an Aerodyne aerosol mass spectrometer (AMS) when sampling remote aerosols across the globe.
Cited articles
Bergstra, J., Breuleux, O., Bastien, F., Lamblin, P., Pascanu, R., Desjardins, G., Turian, J., Warde-Farley, D., and Bengio, Y.: Theano: A CPU and GPU math compiler in Python, Proceedings of the 9th Python in Science Conference, 18–24, https://doi.org/10.25080/Majora-92bf1922-003, 2010. a
Boutsidis, C. and Gallopoulos, E.: SVD based initialization: A head start for nonnegative matrix factorization, Pattern Recognition, 41, 1350–1362, https://doi.org/10.1016/j.patcog.2007.09.010, 2008. a, b
Cichocki, A. and Phan, A.-H.: Fast Local Algorithms for Large Scale Nonnegative Matrix and Tensor Factorizations, IEICE Transactions, 92-A, 708–721, https://doi.org/10.1587/transfun.E92.A.708, 2009. a
Cichocki, A., Zdunek, R., Phan, A. H., and Amari, S.-I.: Alternating Least Squares and Related Algorithms for NMF and SCA Problems, in: Nonnegative Matrix and Tensor Factorizations, chap. 4, John Wiley & Sons, Ltd, 203–266, ISBN 9780470747278, https://doi.org/10.1002/9780470747278.ch4, 2009. a
Eckart, C. and Young, G.: The approximation of one matrix by another of lower rank, Psychometrika, 1, 211–218, https://doi.org/10.1007/BF02288367, 1936. a
Feng, X., Yu, W., and Li, Y.: Faster Matrix Completion Using Randomized SVD, 2018 IEEE 30th International Conference on Tools with Artificial Intelligence (ICTAI), 608–615, https://doi.org/10.1109/ICTAI.2018.00098, 2018. a
Fornasier, M., Rauhut, H., and Ward, R.: Low-rank Matrix Recovery via Iteratively Reweighted Least Squares Minimization, SIAM J. Optimiz., 21, 1614–1640, https://doi.org/10.1137/100811404, 2011. a, b
Guo, Y.-T., Li, Q.-Q., and Liang, C.-S.: The rise of nonnegative matrix factorization: Algorithms and applications, Information Systems, 123, 102379, https://doi.org/10.1016/j.is.2024.102379, 2024. a
Hansen, P. C. and O'Leary, D. P.: The Use of the L-Curve in the Regularization of Discrete Ill-Posed Problems, SIAM J. Sci. Comput., 14, 1487–1503, https://doi.org/10.1137/0914086, 1993. a, b
Ho, N.-D.: Nonnegative matrix factorization algorithms and applications, PhD thesis, Université Catholique de Louvain, 2008. a
Hopke, P. K., Chen, Y., Rich, D. Q., Mooibroek, D., and Sofowote, U. M.: The application of positive matrix factorization with diagnostics to BIG DATA, Chemometr. Intell. Lab., 240, 104885, https://doi.org/10.1016/j.chemolab.2023.104885, 2023. a
Hu, Y., Zhang, D., Ye, J., Li, X., and He, X.: Fast and accurate matrix completion via truncated nuclear norm regularization, IEEE T. Pattern Anal., 35, 2117–2130, https://doi.org/10.1109/TPAMI.2012.271, 2013. a, b
Jia, L., Liang, Y., Li, X., Lu, L., and Yan, S.: Enabling Efficient Fast Convolution Algorithms on GPUs via MegaKernels, IEEE T. Comput., 69, 986–997, https://doi.org/10.1109/TC.2020.2973144, 2020. a, b
Kaloorazi, M. F. and Chen, J.: Randomized Truncated Pivoted QLP Factorization for Low-Rank Matrix Recovery, IEEE Signal Proc. Let., 26, 1075–1079, https://doi.org/10.1109/LSP.2019.2920054, 2019. a
Kim, E. and Hopke, P. K.: Source Identifications of Airborne Fine Particles Using Positive Matrix Factorization and U.S. Environmental Protection Agency Positive Matrix Factorization, J. Air Waste Manage. Assoc., 57, 811–819, https://doi.org/10.3155/1047-3289.57.7.811, 2007. a, b
Kim, J. and Park, H.: Fast Nonnegative Matrix Factorization: An Active-Set-Like Method and Comparisons, SIAM J. Sci. Comput., 33, 3261–3281, https://doi.org/10.1137/110821172, 2011. a
Kumar, K.: Principal component analysis: Most favourite tool in chemometrics, Resonance, 22, 747–759, https://doi.org/10.1007/s12045-017-0523-9, 2017. a
Lahabar, S. and Narayanan, P. J.: Singular value decomposition on GPU using CUDA, in: 2009 IEEE International Symposium on Parallel & Distributed Processing, 1–10, https://doi.org/10.1109/IPDPS.2009.5161058, 2009. a
Lee, D. D. and Seung, H. S.: Learning the parts of objects by non-negative matrix factorization, Nature, 401, 788–791, https://doi.org/10.1038/44565, 1999. a
Lin, C.-J.: Projected Gradient Methods for Nonnegative Matrix Factorization, Neural Comput., 19, 2756–2779, https://doi.org/10.1162/neco.2007.19.10.2756, 2007. a
Lu, J. and Wu, L.: Technical details and programming guide for a general two-way positive matrix factorization algorithm, J. Chemometr., 18, 519–525, https://doi.org/10.1002/cem.894, 2004. a, b
Massoli, P., Stark, H., Canagaratna, M. R., Krechmer, J. E., Xu, L., Ng, N. L., Mauldin, R. L., Yan, C., Kimmel, J., Misztal, P. K., Jimenez, J. L., Jayne, J. T., and Worsnop, D. R.: Ambient Measurements of Highly Oxidized Gas-Phase Molecules during the Southern Oxidant and Aerosol Study (SOAS) 2013, ACS Earth Space Chem., 2, 653–672, https://doi.org/10.1021/acsearthspacechem.8b00028, 2018. a, b, c, d, e, f
Nanra, M., Saha, S., Shukla, A., Tripathi, S., and Kar, P.: Robust Shape-regularized Non-negative Matrix Factorization for Real-time Source Apportionment, 192–201, https://doi.org/10.1145/3632410.3632457, 2024. a
Paatero, P. and Hopke, P. K.: Rotational tools for factor analytic models, J. Chemometr., 23, 91–100, https://doi.org/10.1002/cem.1197, 2009. a, b, c, d
Paatero, P. and Tapper, U.: Analysis of different modes of factor analysis as least squares fit problems, Chemometr. Intell. Lab., 18, 183–194, https://doi.org/10.1016/0169-7439(93)80055-M, 1993. a, b, c, d
Paatero, P. and Tapper, U.: Positive matrix factorization: A non-negative factor model with optimal utilization of error estimates of data values, Environmetrics, 5, 111–126, https://doi.org/10.1002/env.3170050203, 1994. a, b
Paatero, P., Hopke, P. K., Song, X.-H., and Ramadan, Z.: Understanding and controlling rotations in factor analytic models, Chemometr. Intell. Lab., 60, 253–264, https://doi.org/10.1016/S0169-7439(01)00200-3, 2002. a, b, c, d
Paatero, P., Hopke, P. K., Begum, B. A., and Biswas, S. K.: A graphical diagnostic method for assessing the rotation in factor analytical models of atmospheric pollution, Atmos. Environ., 39, 193–201, https://doi.org/10.1016/j.atmosenv.2004.08.018, 2005. a
Sapper, B.: bsapper77/ew_rhals: EW_RHALS_2 (v2.0.0), Zenodo [code], https://doi.org/10.5281/zenodo.7963474, 2023. a
Sun, D. L. and Mazumder, R.: Non-negative matrix completion for bandwidth extension: A convex optimization approach, in: 2013 IEEE International Workshop on Machine Learning for Signal Processing (MLSP), 1–6, https://doi.org/10.1109/MLSP.2013.6661924, 2013. a, b
Tan, W., Chang, S., Fong, L., Li, C., Wang, Z., and Cao, L.: Matrix Factorization on GPUs with Memory Optimization and Approximate Computing, Proceedings of the 47th International Conference on Parallel Processing, 26, 1–10, https://doi.org/10.1145/3225058.3225096, 2018. a
Wei, S., Zheng, X., Chen, D., and Chen, C.: A hybrid approach for movie recommendation via tags and ratings, Electron. Commer. R. A., 18, 83–94, https://doi.org/10.1016/j.elerap.2016.01.003, 2016. a, b
Xie, Y.-L., Hopke, P. K., and Paatero, P.: Positive matrix factorization applied to a curve resolution problem, J. Chemometr., 12, 357–364, https://doi.org/10.1002/(SICI)1099-128X(199811/12)12:6<357::AID-CEM523>3.0.CO;2-S, 1998. a
Yahaya, F., Puigt, M., Delmaire, G., and Roussel, G.: How to Apply Random Projections to Nonnegative Matrix Factorization with Missing Entries?, in: 2019 27th European Signal Processing Conference (EUSIPCO), 1–5, https://doi.org/10.23919/EUSIPCO.2019.8903036, 2019. a, b, c, d
Yahaya, F., Puigt, M., Delmaire, G., and Roussel, G.: Random Projection Streams for (Weighted) Nonnegative Matrix Factorization, in: ICASSP 2021 – 2021 IEEE International Conference on Acoustics, Speech and Signal Processing (ICASSP), 3280–3284, https://doi.org/10.1109/ICASSP39728.2021.9413496, 2021. a, b, c, d
Zhang, S., Wang, W., Ford, J., and Makedon, F.: Learning from Incomplete Ratings Using Non-negative Matrix Factorization, 549–553, https://doi.org/10.1137/1.9781611972764.58, 2006. a, b, c, d
Zhang, Y., Fang, J., Meng, Q., Ge, X., Chebaicheb, H., Favez, O., and Petit, J.-E.: An Ensemble Machine Learning Approach for Predicting Sources of Organic Aerosols Measured by Aerosol Mass Spectrometry, ACS ES&T Air, 378–385, https://doi.org/10.1021/acsestair.4c00262, 2025. a
Short summary
Positive matrix factorization (PMF) has been used by atmospheric scientists to extract underlying factors present in large datasets. This paper presents a new technique for error-weighted PMF that drastically reduces the computational costs of previously developed algorithms. We use this technique to deliver interpretable factors and solution diagnostics from an atmospheric chemistry dataset.
Positive matrix factorization (PMF) has been used by atmospheric scientists to extract...
