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Datasets used in the manuscript titled "Nitrate radicals and biogenic volatile organic compounds: oxidation, mechanisms and organic aerosol"
This dataset documents that all of the data used in the manuscript "Nitrate radicals and biogenic volatile organic compounds: oxidation, mechanisms, and organic aerosol" were from previously published works; no original data is presented as this is a review of the state of the science. This dataset is associated with the following publication: Ng, N., S. Brown, A. Archibald, E. Atlas, R. Cohen, J. Crowley, D. Day, N. Donahue, J. Fry, H. Fuchs, R. Griffin, M. Guzman, H. Herrmann, A. Hodzic, Y. Iinuma, J. Jimenez, A. Kiendler-Scharr, B. Lee, D. Luecken, J. Mao, R. McLaren, A. Mutzel, H. Osthoff, B. Ouyang, B. Picquet-Varrault, U. Platt, H. Pye, Y. Rudich, R. Schwantes, M. Shiraiwa, J. Stutz, J. Thornton, A. Tilgner, B.J. Williams, and R. Zaveri. Nitrate radicals and biogenic volatile organic compounds: oxidation, mechanisms, and organic aerosol. Atmospheric Chemistry and Physics. Copernicus Publications, Katlenburg-Lindau, GERMANY, 17: 2103-2162, (2017).
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Datasets used in the manuscript titled "Nitrate radicals and biogenic volatile organic compounds: oxidation, mechanisms and organic aerosol"
공공데이터포털
This dataset documents that all of the data used in the manuscript "Nitrate radicals and biogenic volatile organic compounds: oxidation, mechanisms, and organic aerosol" were from previously published works; no original data is presented as this is a review of the state of the science. This dataset is associated with the following publication: Ng, N., S. Brown, A. Archibald, E. Atlas, R. Cohen, J. Crowley, D. Day, N. Donahue, J. Fry, H. Fuchs, R. Griffin, M. Guzman, H. Herrmann, A. Hodzic, Y. Iinuma, J. Jimenez, A. Kiendler-Scharr, B. Lee, D. Luecken, J. Mao, R. McLaren, A. Mutzel, H. Osthoff, B. Ouyang, B. Picquet-Varrault, U. Platt, H. Pye, Y. Rudich, R. Schwantes, M. Shiraiwa, J. Stutz, J. Thornton, A. Tilgner, B.J. Williams, and R. Zaveri. Nitrate radicals and biogenic volatile organic compounds: oxidation, mechanisms, and organic aerosol. Atmospheric Chemistry and Physics. Copernicus Publications, Katlenburg-Lindau, GERMANY, 17: 2103-2162, (2017).
Data for Composition and Structural Information of Nitroaromatic Compounds in Organic Aerosols from Laboratory Biomass Burning
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Dataset containing the composition and structural description of nitroaromatic compounds from biomass burning emissions. This dataset is associated with the following publication: Xie, M., X. Chen, M. Hays, and A. Holder. Composition and light absorption of N-containing aromatic compounds in organic aerosols from laboratory biomass burning. Atmospheric Chemistry and Physics. Copernicus Publications, Katlenburg-Lindau, GERMANY, 19(5): 2899-2915, (2018).
Data for Composition and Structural Information of Nitroaromatic Compounds in Organic Aerosols from Laboratory Biomass Burning
공공데이터포털
Dataset containing the composition and structural description of nitroaromatic compounds from biomass burning emissions. This dataset is associated with the following publication: Xie, M., X. Chen, M. Hays, and A. Holder. Composition and light absorption of N-containing aromatic compounds in organic aerosols from laboratory biomass burning. Atmospheric Chemistry and Physics. Copernicus Publications, Katlenburg-Lindau, GERMANY, 19(5): 2899-2915, (2018).
Computational Chemistry Data for "Synthesis and Hydrolysis of Atmospherically Relevant Monoterpene-Derived Organic Nitrates": 02-12-2021 and 03-01-2021
공공데이터포털
The data describe density functional theory (DFT) calculations of the pH dependent reaction barriers for the hydrolysis of four different monoterpene nitrates. These data are used to predict experimental reactivities and determine the underlying chemical mechanism for organic nitrate hydrolysis. This dataset is associated with the following publication: Wang, Y., I. Piletic, M. Takeuchi, T. Xu, S. France, and N.L. Ng. Synthesis and Hydrolysis of Atmospherically Relevant Monoterpene-Derived Organic Nitrates. ENVIRONMENTAL SCIENCE & TECHNOLOGY. American Chemical Society, Washington, DC, USA, 55(21): 14595-14606, (2021).
Analytical Dataset
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This dataset contains the basic analytical outputs used to generate figures for the paper and used as the basis for modeling inputs. It also contains a workup of the SVOC data from the integrated areas, since these were assembled via non-standard methods. This dataset is associated with the following publication: Martin, J., X. Liu, I. George, K. Seltzer, H. Halliday, M. Hays, and H. Pye. Implications of printing ink composition for ambient air pollutants. ACS ES&T Air. American Chemical Society, Washington, DC, USA, 2(9): 1987–1995, (2025).
Figure data for article "Acidity and the multiphase chemistry of atmospheric aqueous particles and clouds"
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Noting here that data used to make figures in "Acidity and the multiphase chemistry of atmospheric aqueous particles and clouds" article can be found within the paper and associated supplement. This dataset is not publicly accessible because: Figure data are already embedded in the paper tables/supplement by authors external to the EPA. It can be accessed through the following means: The figure data are found within the paper tables and supplemental information (SI) and thus can be accessed by downloading the paper and SI. One may also contact co-authors, V. Faye McNeill (vfm2103@columbia.edu) and/or Hartmut Herrmann (herrmann@tropos.de) for additional information. Format: Data used for the figures are provided in the paper tables and supplement at the following link: https://doi.org/10.5194/acp-2021-58. This dataset is associated with the following publication: Tilgner, A., T. Schaefer, B. Alexander, M. Barth, J. Collett, K. Fahey, A. Nenes, H. Pye, H. Herrmann, and V.F. McNeill. Acidity and the multiphase chemistry of atmospheric aqueous particles and clouds. Atmospheric Chemistry and Physics. Copernicus Publications, Katlenburg-Lindau, GERMANY, 21(17): 13483–13536, (2021).
Data used in manuscript "Modeling crop residue burning experiments and assessing the fire impacts on air quality"
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The data sets includes the data used to generate the figures presented in the manuscript. Each worksheet in the attached file provides data for a specific figure (as labeled). This dataset is associated with the following publication: Zhou, L., K. Baker, S. Napelenok, G. Pouliot, R. Elleman, S. O'Neill, S. Urbanski, and D. Wong. Modeling crop residue burning experiments to evaluate smoke emissions and plume transport. SCIENCE OF THE TOTAL ENVIRONMENT. Elsevier BV, AMSTERDAM, NETHERLANDS, 627: 523-533, (2018).
Data for "Pathways to highly oxidized products in the d3-carene + OH system"
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Oxidation of the monoterpene Δ3-carene (C10H16) is a potentially important and under-studied source of atmospheric secondary organic aerosol (SOA). We present chamber-based measurements of the speciated gas and particle phases during photochemical oxidation of Δ3-carene. We find evidence of highly oxidized organic molecules (HOM) in the gas phase and relatively low volatility SOA dominated by C7-C10 species. We then use computational methods to develop the first stages of a Δ3-carene photochemical oxidation mechanism and explain some of our measured compositions. We find that alkoxy bond scission of the cyclohexyl ring likely leads to efficient HOM formation, in line with previous studies. We also find a surprising role for the abstraction of primary hydrogens from methyl groups, which has been calculated to be rapid in the α-pinene system, and suggest more research is required to determine if this is more general to other systems and a feature of autoxidation. This work develops a more comprehensive view of Δ3-carene photochemical oxidation products via measurements and lays out a suggested mechanism of oxidation via computationally derived rate coefficients. This dataset is not publicly accessible because: Non-EPA data. It can be accessed through the following means: Please contact Joel Thornton at: thornton@atmos.uw.edu. Format: text files. This dataset is associated with the following publication: D'Ambro, E., N. Hyttinen, K. Møller, S. Iyer, R. Otkjær, D. Bell, J. Liu, F. Lopez-Hilfiker, S. Schobesberger, J. Shilling, A. Zelenyuk, H. Kjaergaard, J. Thornton, and T. Kurten. Pathways to highly oxidized products in the Δ3-Carene + OH system. ENVIRONMENTAL SCIENCE & TECHNOLOGY. American Chemical Society, Washington, DC, USA, 56(4): 2213-2224, (2022).
Data for "Pathways to highly oxidized products in the d3-carene + OH system"
공공데이터포털
Oxidation of the monoterpene Δ3-carene (C10H16) is a potentially important and under-studied source of atmospheric secondary organic aerosol (SOA). We present chamber-based measurements of the speciated gas and particle phases during photochemical oxidation of Δ3-carene. We find evidence of highly oxidized organic molecules (HOM) in the gas phase and relatively low volatility SOA dominated by C7-C10 species. We then use computational methods to develop the first stages of a Δ3-carene photochemical oxidation mechanism and explain some of our measured compositions. We find that alkoxy bond scission of the cyclohexyl ring likely leads to efficient HOM formation, in line with previous studies. We also find a surprising role for the abstraction of primary hydrogens from methyl groups, which has been calculated to be rapid in the α-pinene system, and suggest more research is required to determine if this is more general to other systems and a feature of autoxidation. This work develops a more comprehensive view of Δ3-carene photochemical oxidation products via measurements and lays out a suggested mechanism of oxidation via computationally derived rate coefficients. This dataset is not publicly accessible because: Non-EPA data. It can be accessed through the following means: Please contact Joel Thornton at: thornton@atmos.uw.edu. Format: text files. This dataset is associated with the following publication: D'Ambro, E., N. Hyttinen, K. Møller, S. Iyer, R. Otkjær, D. Bell, J. Liu, F. Lopez-Hilfiker, S. Schobesberger, J. Shilling, A. Zelenyuk, H. Kjaergaard, J. Thornton, and T. Kurten. Pathways to highly oxidized products in the Δ3-Carene + OH system. ENVIRONMENTAL SCIENCE & TECHNOLOGY. American Chemical Society, Washington, DC, USA, 56(4): 2213-2224, (2022).
Data set associated with benzyl alcohol paper 2022
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Benzyl alcohol paper data set. This dataset is associated with the following publication: Jaoui, M., K. Docherty, M. Lewandowski, and T. Kleindienst. Yields and molecular composition of gas-phase and secondary organic aerosol from the photooxidation of the volatile consumer product benzyl alcohol: formation of highly oxygenated and hydroxy nitro-aromatic compounds. Atmospheric Chemistry and Physics. Copernicus Publications, Katlenburg-Lindau, GERMANY, 23(8): 4637–4661, (2023).