Articles | Volume 20, issue 2
https://doi.org/10.5194/acp-20-1021-2020
© Author(s) 2020. This work is distributed under
the Creative Commons Attribution 4.0 License.
the Creative Commons Attribution 4.0 License.
https://doi.org/10.5194/acp-20-1021-2020
© Author(s) 2020. This work is distributed under
the Creative Commons Attribution 4.0 License.
the Creative Commons Attribution 4.0 License.
Research article
| 
27 Jan 2020
Research article |
| 27 Jan 2020
| 27 Jan 2020
Dimensionality-reduction techniques for complex mass spectrometric datasets: application to laboratory atmospheric organic oxidation experiments
Abigail R. Koss
CORRESPONDING AUTHOR
Massachusetts Institute of Technology, Department of Civil and
Environmental Engineering, Cambridge, MA, USA
now at: Tofwerk USA, Boulder, CO, USA
Manjula R. Canagaratna
Aerodyne Research Incorporated, Billerica, MA, USA
Alexander Zaytsev
Harvard University, Paulson School of Engineering and Applied
Sciences, Cambridge, MA, USA
Jordan E. Krechmer
Aerodyne Research Incorporated, Billerica, MA, USA
Martin Breitenlechner
Harvard University, Paulson School of Engineering and Applied
Sciences, Cambridge, MA, USA
Kevin J. Nihill
Massachusetts Institute of Technology, Department of Civil and
Environmental Engineering, Cambridge, MA, USA
Christopher Y. Lim
Massachusetts Institute of Technology, Department of Civil and
Environmental Engineering, Cambridge, MA, USA
James C. Rowe
Massachusetts Institute of Technology, Department of Civil and
Environmental Engineering, Cambridge, MA, USA
Joseph R. Roscioli
Aerodyne Research Incorporated, Billerica, MA, USA
Frank N. Keutsch
Harvard University, Paulson School of Engineering and Applied
Sciences, Cambridge, MA, USA
Jesse H. Kroll
Massachusetts Institute of Technology, Department of Civil and
Environmental Engineering, Cambridge, MA, USA
Viewed
Total article views: 5,492 (including HTML, PDF, and XML)
Cumulative views and downloads
(calculated since 21 Jun 2019)
| HTML | XML | Total | Supplement | BibTeX | EndNote | |
|---|---|---|---|---|---|---|
| 4,182 | 1,253 | 57 | 5,492 | 387 | 74 | 97 |
- HTML: 4,182
- PDF: 1,253
- XML: 57
- Total: 5,492
- Supplement: 387
- BibTeX: 74
- EndNote: 97
Total article views: 4,612 (including HTML, PDF, and XML)
Cumulative views and downloads
(calculated since 27 Jan 2020)
| HTML | XML | Total | Supplement | BibTeX | EndNote | |
|---|---|---|---|---|---|---|
| 3,746 | 817 | 49 | 4,612 | 256 | 68 | 83 |
- HTML: 3,746
- PDF: 817
- XML: 49
- Total: 4,612
- Supplement: 256
- BibTeX: 68
- EndNote: 83
Total article views: 880 (including HTML, PDF, and XML)
Cumulative views and downloads
(calculated since 21 Jun 2019)
| HTML | XML | Total | Supplement | BibTeX | EndNote | |
|---|---|---|---|---|---|---|
| 436 | 436 | 8 | 880 | 131 | 6 | 14 |
- HTML: 436
- PDF: 436
- XML: 8
- Total: 880
- Supplement: 131
- BibTeX: 6
- EndNote: 14
Viewed (geographical distribution)
Total article views: 5,492 (including HTML, PDF, and XML)
Thereof 5,296 with geography defined
and 196 with unknown origin.
Total article views: 4,612 (including HTML, PDF, and XML)
Thereof 4,513 with geography defined
and 99 with unknown origin.
Total article views: 880 (including HTML, PDF, and XML)
Thereof 783 with geography defined
and 97 with unknown origin.
| Country | # | Views | % |
|---|
| Country | # | Views | % |
|---|
| Country | # | Views | % |
|---|
| Total: | 0 |
| HTML: | 0 |
| PDF: | 0 |
| XML: | 0 |
- 1
1
| Total: | 0 |
| HTML: | 0 |
| PDF: | 0 |
| XML: | 0 |
- 1
1
| Total: | 0 |
| HTML: | 0 |
| PDF: | 0 |
| XML: | 0 |
- 1
1
Cited
20 citations as recorded by crossref.
- Chemical composition of PM<sub>2.5</sub> in October 2017 Northern California wildfire plumes Y. Liang et al. 10.5194/acp-21-5719-2021
- Hourly prediction of PM2.5 concentration in Beijing based on Bi-LSTM neural network M. Zhang et al. 10.1007/s11042-021-10852-w
- Seasonal Variations of Vocs in Houston: Source Apportionment and Spatial Distribution of Source Origins in Summertime and Wintertime B. Sadeghi et al. 10.2139/ssrn.3972065
- Comparison of dimension reduction techniques in the analysis of mass spectrometry data S. Isokääntä et al. 10.5194/amt-13-2995-2020
- Chemical characterisation of benzene oxidation products under high- and low-NO<sub><i>x</i></sub> conditions using chemical ionisation mass spectrometry M. Priestley et al. 10.5194/acp-21-3473-2021
- Evolution of organic carbon in the laboratory oxidation of biomass-burning emissions K. Nihill et al. 10.5194/acp-23-7887-2023
- Combined application of online FIGAERO-CIMS and offline LC-Orbitrap mass spectrometry (MS) to characterize the chemical composition of secondary organic aerosol (SOA) in smog chamber studies M. Du et al. 10.5194/amt-15-4385-2022
- Recent advances in mass spectrometry techniques for atmospheric chemistry research on molecular‐level W. Zhang et al. 10.1002/mas.21857
- Isoprene versus Monoterpenes as Gas-Phase Organic Acid Precursors in the Atmosphere M. Link et al. 10.1021/acsearthspacechem.1c00093
- Real-Time Laboratory Measurements of VOC Emissions, Removal Rates, and Byproduct Formation from Consumer-Grade Oxidation-Based Air Cleaners Q. Ye et al. 10.1021/acs.estlett.1c00773
- Influence of seasonal variability on source characteristics of VOCs at Houston industrial area B. Sadeghi et al. 10.1016/j.atmosenv.2022.119077
- Modeling atmospheric aging of small-scale wood combustion emissions: distinguishing causal effects from non-causal associations V. Leinonen et al. 10.1039/D2EA00048B
- Organic Sulfur Products and Peroxy Radical Isomerization in the OH Oxidation of Dimethyl Sulfide Q. Ye et al. 10.1021/acsearthspacechem.1c00108
- A comprehensive approach combining positive matrix factorization modeling, meteorology, and machine learning for source apportionment of surface ozone precursors: Underlying factors contributing to ozone formation in Houston, Texas D. Nelson et al. 10.1016/j.envpol.2023.122223
- Complexity visualization, dataset acquisition, and machine-learning perspectives for low-temperature plasma: a review O. Sakai et al. 10.35848/1347-4065/ac76fa
- Deconvolution of FIGAERO–CIMS thermal desorption profiles using positive matrix factorisation to identify chemical and physical processes during particle evaporation A. Buchholz et al. 10.5194/acp-20-7693-2020
- Nontarget Screening Exhibits a Seasonal Cycle of PM2.5 Organic Aerosol Composition in Beijing J. Ma et al. 10.1021/acs.est.1c06905
- Application of fuzzy c-means clustering for analysis of chemical ionization mass spectra: insights into the gas phase chemistry of NO3-initiated oxidation of isoprene R. Wu et al. 10.5194/amt-17-1811-2024
- Mechanistic study of the formation of ring-retaining and ring-opening products from the oxidation of aromatic compounds under urban atmospheric conditions A. Zaytsev et al. 10.5194/acp-19-15117-2019
- The Influence of Gas-phase Chemistry on Organic Haze Formation J. Berry et al. 10.3847/2041-8213/ab4b5b
18 citations as recorded by crossref.
- Chemical composition of PM<sub>2.5</sub> in October 2017 Northern California wildfire plumes Y. Liang et al. 10.5194/acp-21-5719-2021
- Hourly prediction of PM2.5 concentration in Beijing based on Bi-LSTM neural network M. Zhang et al. 10.1007/s11042-021-10852-w
- Seasonal Variations of Vocs in Houston: Source Apportionment and Spatial Distribution of Source Origins in Summertime and Wintertime B. Sadeghi et al. 10.2139/ssrn.3972065
- Comparison of dimension reduction techniques in the analysis of mass spectrometry data S. Isokääntä et al. 10.5194/amt-13-2995-2020
- Chemical characterisation of benzene oxidation products under high- and low-NO<sub><i>x</i></sub> conditions using chemical ionisation mass spectrometry M. Priestley et al. 10.5194/acp-21-3473-2021
- Evolution of organic carbon in the laboratory oxidation of biomass-burning emissions K. Nihill et al. 10.5194/acp-23-7887-2023
- Combined application of online FIGAERO-CIMS and offline LC-Orbitrap mass spectrometry (MS) to characterize the chemical composition of secondary organic aerosol (SOA) in smog chamber studies M. Du et al. 10.5194/amt-15-4385-2022
- Recent advances in mass spectrometry techniques for atmospheric chemistry research on molecular‐level W. Zhang et al. 10.1002/mas.21857
- Isoprene versus Monoterpenes as Gas-Phase Organic Acid Precursors in the Atmosphere M. Link et al. 10.1021/acsearthspacechem.1c00093
- Real-Time Laboratory Measurements of VOC Emissions, Removal Rates, and Byproduct Formation from Consumer-Grade Oxidation-Based Air Cleaners Q. Ye et al. 10.1021/acs.estlett.1c00773
- Influence of seasonal variability on source characteristics of VOCs at Houston industrial area B. Sadeghi et al. 10.1016/j.atmosenv.2022.119077
- Modeling atmospheric aging of small-scale wood combustion emissions: distinguishing causal effects from non-causal associations V. Leinonen et al. 10.1039/D2EA00048B
- Organic Sulfur Products and Peroxy Radical Isomerization in the OH Oxidation of Dimethyl Sulfide Q. Ye et al. 10.1021/acsearthspacechem.1c00108
- A comprehensive approach combining positive matrix factorization modeling, meteorology, and machine learning for source apportionment of surface ozone precursors: Underlying factors contributing to ozone formation in Houston, Texas D. Nelson et al. 10.1016/j.envpol.2023.122223
- Complexity visualization, dataset acquisition, and machine-learning perspectives for low-temperature plasma: a review O. Sakai et al. 10.35848/1347-4065/ac76fa
- Deconvolution of FIGAERO–CIMS thermal desorption profiles using positive matrix factorisation to identify chemical and physical processes during particle evaporation A. Buchholz et al. 10.5194/acp-20-7693-2020
- Nontarget Screening Exhibits a Seasonal Cycle of PM2.5 Organic Aerosol Composition in Beijing J. Ma et al. 10.1021/acs.est.1c06905
- Application of fuzzy c-means clustering for analysis of chemical ionization mass spectra: insights into the gas phase chemistry of NO3-initiated oxidation of isoprene R. Wu et al. 10.5194/amt-17-1811-2024
2 citations as recorded by crossref.
- Mechanistic study of the formation of ring-retaining and ring-opening products from the oxidation of aromatic compounds under urban atmospheric conditions A. Zaytsev et al. 10.5194/acp-19-15117-2019
- The Influence of Gas-phase Chemistry on Organic Haze Formation J. Berry et al. 10.3847/2041-8213/ab4b5b
Latest update: 26 Dec 2024
Short summary
Oxidation chemistry of organic compounds in the atmosphere produces a diverse spectrum of products. This diversity is difficult to represent in air quality and climate models, and in laboratory experiments it results in large and complex datasets. This work evaluates several methods to simplify the chemistry of oxidation systems in environmental chambers, including positive matrix factorization, hierarchical clustering analysis, and gamma kinetics parameterization.
Oxidation chemistry of organic compounds in the atmosphere produces a diverse spectrum of...
Altmetrics
Final-revised paper
Preprint