Data from: Organic composition of ultrafine particles formed from automotive braking
Data files
Nov 05, 2025 version files 1.05 MB
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LCMS_C_BPEX_neg_mode.csv
19.88 KB
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LCMS_C_BPEX_pos_mode.csv
6.50 KB
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LCMS_C_DYNO_neg_mode.csv
19.26 KB
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LCMS_C_DYNO_pos_mode.csv
28.06 KB
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LCMS_C_OVEN_neg_mode.csv
10.49 KB
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LCMS_C_OVEN_pos_mode.csv
29.89 KB
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LCMS_C_REP_neg_mode.csv
12.33 KB
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LCMS_C_REP_pos_mode.csv
6.69 KB
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LCMS_SM_BPEX_neg_mode.csv
20.26 KB
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LCMS_SM_BPEX_pos_mode.csv
7.89 KB
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LCMS_SM_DYNO_neg_mode.csv
39.11 KB
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LCMS_SM_DYNO_pos_mode.csv
34.97 KB
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LCMS_SM_OVEN_neg_mode.csv
17.31 KB
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LCMS_SM_OVEN_pos_mode.csv
16.08 KB
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LCMS_SM_REP_neg_mode.csv
25.30 KB
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LCMS_SM_REP_pos_mode.csv
10.54 KB
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README.md
7.63 KB
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TDCIMS_C_DYNO_neg_mode.csv
50.23 KB
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TDCIMS_C_DYNO_pos_mode.csv
94.26 KB
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TDCIMS_PR__OVEN_200C_pos_mode.csv
101.86 KB
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TDCIMS_PR_OVEN_200C_neg_mode.csv
47.48 KB
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TDCIMS_PR_OVEN_250C_neg_mode.csv
56.68 KB
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TDCIMS_PR_OVEN_250C_pos_mode.csv
102.21 KB
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TDCIMS_PR_OVEN_300C_neg_mode.csv
53.23 KB
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TDCIMS_PR_OVEN_300C_pos_mode.csv
102.50 KB
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TDCIMS_SM_DYNO_neg_mode.csv
46.90 KB
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TDCIMS_SM_DYNO_pos_mode.csv
80.88 KB
Abstract
Non-exhaust emissions (e.g., automotive brake and tire wear) are quickly replacing exhaust emissions as the dominant traffic particulate pollutant. Despite this, a thorough exploration of the composition of particles from these sources is lacking, particularly the organic fraction. Due to their unique health implications, knowledge of the composition of ultrafine particles (<100 nm in diameter) is of particular interest. Here we report on the size-selected organic composition of ultrafine particles nucleated during high brake temperature conditions generated using a custom brake dynamometer system and two common brake pad types. Using high resolution mass spectrometry, we find that the organic composition of these particles is dominated by species containing oxygen (CHO) and nitrogen (CHN/CHON). Many of these compounds are unsaturated and are attributed to the thermal degradation of resin material used in the pad formulation. Other abundant compounds include various glycols and amines, several of which are unequivocally identified and discussed as potential marker compounds for brake wear emissions. A significant fraction of highly oxidized, low volatility species observed in ultrafine particles could not be conclusively attributed to the thermal degradation of the brake material, indicating the presence of chemical pathways unique to the frictional heating process. This emphasizes the importance of using a brake dynamometer to generate brake wear particles as opposed to other strategies.
Name: James Smith
ORCID: 0000-0003-4677-8224
Institution: University of California, Irvine
Address: Rowland Hall Room 317C, Irvine, CA 92697
Email: jimsmith@uci.edu
Author/Associate or Co-investigator Information
Name: Adam Thomas
Institution: University of California, Irvine
Address: Irvine, CA 92697
Email: adamet1@uci.edu
Date of data collection: 2022-08 to 2024-08
Geographic location of data collection: Irvine, CA, USA.
Information about funding sources that supported the collection of the data:
California Department of Justice (no. AERTF-221620)
National Science Foundation (no. 2327825)
In addition, this material is based upon work supported by the National Science Foundation under Award no. 2324901.
SHARING/ACCESS INFORMATION
Licenses/restrictions placed on the data: None.
Links to publications that cite or use the data:
Thomas, A. E., Perraud, V., Lee, M., Rojas, B., Cooke, M. E., Wingen, L. M., Bauer, P. S., Dam, M., Finlayson-Pitts, B. J., and Smith, J. N.: Organic composition of ultrafine particles formed from automotive braking, Environ. Sci.: Process. Impacts. [URL]
Recommended citation for this dataset: Smith, James and Thomas, Adam (2025), Supporting Data for "Organic composition of ultrafine particles formed from automotive braking", Dryad [dataset], [URL]
DATA & FILE OVERVIEW
File List:
LCMS_C_BPEX_neg_mode.csv
LCMS_C_BPEX_pos_mode.csv
LCMS_C_DYNO_neg_mode.csv
LCMS_C_DYNO_pos_mode.csv
LCMS_C_OVEN_neg_mode.csv
LCMS_C_OVEN_pos_mode.csv
LCMS_C_REP_neg_mode.csv
LCMS_C_REP_pos_mode.csv
LCMS_SM_BPEX_neg_mode.csv
LCMS_SM_BPEX_pos_mode.csv
LCMS_SM_DYNO_neg_mode.csv
LCMS_SM_DYNO_pos_mode.csv
LCMS_SM_OVEN_neg_mode.csv
LCMS_SM_OVEN_pos_mode.csv
LCMS_SM_REP_neg_mode.csv
LCMS_SM_REP_pos_mode.csv
TDCIMS_C_DYNO_neg_mode.csv
TDCIMS_C_DYNO_pos_mode.csv
TDCIMS_PR_OVEN_200C_neg_mode.csv
TDCIMS_PR__OVEN_200C_pos_mode.csv
TDCIMS_PR_OVEN_250C_neg_mode.csv
TDCIMS_PR_OVEN_250C_pos_mode.csv
TDCIMS_PR_OVEN_300C_neg_mode.csv
TDCIMS_PR_OVEN_300C_pos_mode.csv
TDCIMS_SM_DYNO_neg_mode.csv
TDCIMS_SM_DYNO_pos_mode.csv
METHODOLOGICAL INFORMATION
Description of methods used for collection and processing of data, instrumentation, specific software information, experimental conditions, and people involved with the experiments can be found in this publication: Thomas, A. E., Perraud, V., Lee, M., Rojas, B., Cooke, M. E., Wingen, L. M., Bauer, P. S., Dam, M., Finlayson-Pitts, B. J., and Smith, J. N.: Organic composition of ultrafine particles formed from automotive braking, Environ. Sci.: Process. Impacts. [https://doi.org/10.1039/D5EM00654F]
Missing data code: n/a
DATA-SPECIFIC INFORMATION FOR ALL DATA FILES:
Files:
LCMS_C_BPEX_neg_mode.csv
LCMS_C_BPEX_pos_mode.csv
LCMS_C_DYNO_neg_mode.csv
LCMS_C_DYNO_pos_mode.csv
LCMS_C_OVEN_neg_mode.csv
LCMS_C_OVEN_pos_mode.csv
LCMS_C_REP_neg_mode.csv
LCMS_C_REP_pos_mode.csv
LCMS_SM_BPEX_neg_mode.csv
LCMS_SM_BPEX_pos_mode.csv
LCMS_SM_DYNO_neg_mode.csv
LCMS_SM_DYNO_pos_mode.csv
LCMS_SM_OVEN_neg_mode.csv
LCMS_SM_OVEN_pos_mode.csv
LCMS_SM_REP_neg_mode.csv
LCMS_SM_REP_pos_mode.csv
Each of the above files contains information for all of the species assigned with liquid chromatography - mass spectrometry (LCMS) in the referenced study.
Sorted my molecular mass, each file contains the following columns: signal intensity (in counts), monoisotopic mass (in Da), and molecular formula of the electrically neutral species. Where relevant, intensity columns also include references to the relevant experiment letter as listed in Table S1. Each letter corresponds to a separate dynamometer experiment.
Short descriptions for each relevant experiment letter are summarized below:
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Experiment J: Brake dynamometer experiment with semi-metallic brakes, collecting sub-90 nm particles onto filters for LC-MS analysis (+/- modes), trial 1
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Experiment K: Brake dynamometer experiment with semi-metallic brakes, collecting sub-90 nm particles onto filters for LC-MS analysis (+/- modes), trial 2
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Experiment L: Brake dynamometer experiment with ceramic brakes, collecting sub-90 nm particles onto filters for LC-MS analysis (+/- modes), trial 1
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Experiment M: Brake dynamometer experiment with ceramic brakes, collecting sub-90 nm particles onto filters for LC-MS analysis (+/- modes), trial 2
Files are labeled by brake (ceramic a.k.a. "C" or semi-metallic a.k.a. "SM") and experiment type (fresh brake pad extract a.k.a. "BPEX", dynamometer a.k.a. "DYNO", dynamometer replicate experiment a.k.a. "REP", or brake pad oven experiment a.k.a. OVEN), as well as the electrospray ion polarity with which they were collected (negative ion mode a.k.a. "neg_mode" or positive ion mode a.k.a. "pos_mode").
All intensities presented are background-subtracted. See referenced publication for further details on data processing.
Files:
TDCIMS_C_DYNO_neg_mode.csv
TDCIMS_C_DYNO_pos_mode.csv
TDCIMS_PR_OVEN_200C_neg_mode.csv
TDCIMS_PR__OVEN_200C_pos_mode.csv
TDCIMS_PR_OVEN_250C_neg_mode.csv
TDCIMS_PR_OVEN_250C_pos_mode.csv
TDCIMS_PR_OVEN_300C_neg_mode.csv
TDCIMS_PR_OVEN_300C_pos_mode.csv
TDCIMS_SM_DYNO_neg_mode.csv
TDCIMS_SM_DYNO_pos_mode.csv
Each of the above files contain information for all of the species assigned with thermal desorption chemical ionization mass spectrometry (TDCIMS) in the referenced study.
Sorted my molecular mass, each file contains the following columns: mass-to-charge ratio (m/z), ion formula, trial signal intensity (in counts), and average signal intensity (counts) of the detected species. Where relevant, intensity columns also include references to the relevant experiment letter as listed in Table S1. Each letter corresponds to a separate dynamometer experiment. For TDCIMS oven experiments, data for all three trials are included in each csv.
Short descriptions for each relevant experiment letter are summarized below:
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Experiment A: Brake dynamometer experiment with semi-metallic brakes, collecting TDCIMS (+/- modes), trial 1
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Experiment B: Brake dynamometer experiment with semi-metallic brakes, collecting TDCIMS (+/- modes), trial 2
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Experiment C: Brake dynamometer experiment with semi-metallic brakes, collecting TDCIMS (+/- modes), trial 3
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Experiment D: Brake dynamometer experiment with ceramic brakes, collecting TDCIMS (- mode), trial 1
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Experiment E: Brake dynamometer experiment with ceramic brakes, collecting TDCIMS (+ mode), trial 1
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Experiment F: Brake dynamometer experiment with ceramic brakes, collecting TDCIMS (- mode), trial 2
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Experiment G: Brake dynamometer experiment with ceramic brakes, collecting TDCIMS (+ mode), trial 2
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Experiment H: Brake dynamometer experiment with ceramic brakes, collecting TDCIMS (- mode), trial 3
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Experiment I: Brake dynamometer experiment with ceramic brakes, collecting TDCIMS (+ mode), trial 3
Files are labeled by material (ceramic brake pad a.k.a. "C", semi-metallic brake pad a.k.a. "SM", or phenolic resin a.k.a. "PR") and experiment type (dynamometer a.k.a. "DYNO" or phenolic resin oven experiment a.k.a. OVEN), as well as the ion polarity with which they were collected (negative ion mode a.k.a. "neg_mode" or positive ion mode a.k.a. "pos_mode"). For the oven data, the lists are also labeled with the oven temperature at which the data was collected in Celsius (C).
All intensities presented are background-subtracted. See referenced publication for further details on data processing.
