Overview of ICARUS─A Curated, Open Access, Online Repository for Atmospheric Simulation Chamber Data

Nguyen, Tran B.; Bates, Kelvin H.; Buenconsejo, Reina S.; Charan, Sophia M.; Cavanna, Eric E.; Cocker, David R.; Day, Douglas A.; DeVault, Marla P.; Donahue, Neil M.; Finewax, Zachary; Habib, Luke F.; Handschy, Anne V.; Hildebrandt Ruiz, Lea; Hou, Chung-Yi S.; Jimenez, Jose L.; Joo, Taekyu; Klodt, Alexandra L.; Kong, Weimeng; Le, Chen; Masoud, Catherine G.; Mayernik, Matthew S.; Ng, Nga L.; Nienhouse, Eric J.; Nizkorodov, Sergey A.; Orlando, John J.; Post, Jeroen J.; Sturm, Patrick O.; Thrasher, Bridget L.; Tyndall, Geoffrey S.; Seinfeld, John H.; Worley, Steven J.; Zhang, Xuan; Ziemann, Paul J.

doi:10.1021/acsearthspacechem.3c00043

Cited by 3 publications

(1 citation statement)

References 53 publications

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“…The chamber experiment data reported in this study are available at Joo et al. (2023) in the Index of Chamber Atmospheric Research in the United States (ICARUS) database (Nguyen et al., 2023). SIRIUS is used in this study for the LC‐MS/MS data analysis (Dührkop et al., 2019b).…”

Section: Data Availability Statementmentioning

confidence: 99%

Secondary Brown Carbon Formation From Photooxidation of Furans From Biomass Burning

Joo,

Machesky,

Zeng

et al. 2024

Geophysical Research Letters

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Furans are a major class of volatile organic compounds emitted from biomass burning. Their high reactivity with atmospheric oxidants leads to the formation of secondary organic aerosol (SOA), including secondary brown carbon (BrC) that can affect global climate via interactions with solar radiation. Here, we investigate the optical properties and chemical composition of SOA generated via photooxidation of furfural, 2‐methylfuran, and 3‐methylfuran under dry (RH < 5%) and humid (RH ∼ 50%) conditions in the presence of nitrogen oxides (NOx) and ammonium sulfate seed aerosol. Dry furfural oxidation has the greatest BrC formation, including reduced nitrogen‐containing organic compounds (NOCs) in SOA, which are dominated by amines and amides formed from reactions between carbonyls and ammonia/ammonium. Based on the products detected, we propose novel formation pathways of NOCs in furfural photooxidation, which can contribute to BrC via accretion reactions during the photochemical aging of biomass burning plumes.

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Section: Data Availability Statementmentioning

confidence: 99%

Secondary Brown Carbon Formation From Photooxidation of Furans From Biomass Burning

Joo,

Machesky,

Zeng

et al. 2024

Geophysical Research Letters

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A Nudge to the Truth: Atom Conservation as a Hard Constraint in Models of Atmospheric Composition Using a Species-Weighted Correction

Sturm,

Silva

2024

ACS EST Air

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Computational models of atmospheric composition are not always physically consistent. For example, not all models respect fundamental conservation laws such as conservation of atoms in an interconnected chemical system. In well performing models, these unphysical deviations are often ignored because they are frequently minor, and thus only need a small nudge to perfectly conserve mass. Here we introduce a method that anchors a prediction from any numerical model to physically consistent hard constraints, nudging concentrations to the nearest solution that respects the conservation laws. This closed-form model-agnostic correction uses a single matrix operation to minimally perturb the predicted concentrations to ensure that atoms are conserved to machine precision. To demonstrate this approach, we train a gradient boosting decision tree ensemble to emulate a small reference model of ozone photochemistry and test the effect of the correction on accurate but nonconservative predictions. The nudging approach minimally perturbs the already wellpredicted results for most species, but decreases the accuracy of important oxidants, including radicals. We develop a weighted extension of this nudging approach that considers the uncertainty and magnitude of each species in the correction. This species-level weighting approach is essential to accurately predict important low concentration species such as radicals. We find that applying the species-weighted correction slightly improves overall accuracy by nudging unphysical predictions to a more likely mass-conserving solution.

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A searchable database and mass spectral comparison tool for the Aerosol Mass Spectrometer (AMS) and the Aerosol Chemical Speciation Monitor (ACSM)

Jeon,

Walker,

Sueper

et al. 2023

Atmos. Meas. Tech.

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Abstract. The Aerodyne Aerosol Mass Spectrometer (AMS) and Aerosol Chemical Speciation Monitor (ACSM) are the most widely applied tools for in situ chemical analysis of the non-refractory bulk composition of fine atmospheric particles. The mass spectra (MS) of many AMS and ACSM observations from field and laboratory studies have been reported in peer-reviewed literature and many of these MS have been submitted to an open-access website. With the increased reporting of such datasets, the database interface requires revisions to meet new demands and applications. One major limitation of the web-based database is the inability to automatically search the database and compare previous MS with the researcher's own data. In this study, a searchable database tool for the AMS and ACSM mass spectral dataset was built to improve the efficiency of data analysis using Igor Pro, consistent with existing AMS and ACSM software. The database tool incorporates the published MS and sample information uploaded on the website. This tool allows the comparison of a target mass spectrum with the reference MS in the database, calculating cosine similarity, and provides a range of MS comparison plots, reweighting, and mass spectrum filtering options. The aim of this work is to help AMS and ACSM users efficiently analyze their own data for possible source or atmospheric processing features by comparison to previous studies, enhancing information gained from past and current global research on atmospheric aerosol.

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Overview of ICARUS─A Curated, Open Access, Online Repository for Atmospheric Simulation Chamber Data

Cited by 3 publications

References 53 publications

Secondary Brown Carbon Formation From Photooxidation of Furans From Biomass Burning

Secondary Brown Carbon Formation From Photooxidation of Furans From Biomass Burning

A Nudge to the Truth: Atom Conservation as a Hard Constraint in Models of Atmospheric Composition Using a Species-Weighted Correction

A searchable database and mass spectral comparison tool for the Aerosol Mass Spectrometer (AMS) and the Aerosol Chemical Speciation Monitor (ACSM)

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