DOI: 10.5061/dryad.k6djh9wgb
title: Data from: Seasonal investigation of ultrafine particle organic composition in an eastern Amazonian rainforest

description: Reports on the composition of ultrafine (&lt;100 nm in diameter)
 particles in the Amazon are scarce, due in part to the fact that new
 particle formation has rarely been observed near ground level.
  Ultrafine particles near the surface have nevertheless been
 observed, leaving open questions regarding the sources and chemistry of
 their formation and growth, particularly as these vary across seasons.
  Here we present measurements on the composition of ultrafine
 particles collected in the Tapaj\'{o}s National Forest (2.857° S,
 54.959° W) during three different seasonal periods: 10 - 30 September 2016
 (SEP), 18 November - 23 December 2016 (DEC), and 22 May - 21 June 2017
 (JUN).  Size-selected (5 - 70 nm) particles were collected daily
 (22 h) using an offline sampler.  Samples collected during the
 three time periods were compiled and analyzed using liquid chromatography
 coupled to Orbitrap high resolution mass spectrometry.  Our
 findings suggest a sustained influence of isoprene organosulfate chemistry
 on ultrafine particles in the different periods.  We present
 chemical evidence that biological spore fragmentation impacted ultrafine
 particle composition  during the late wet season (JUN), while
 chemical markers for biomass burning and secondary chemistry peaked during
 the dry season (SEP, DEC).  Higher oxidation states and degrees
 of unsaturation were observed for organics in the dry season (SEP, DEC),
 suggesting greater extents of aerosol aging. Finally, applying a
 volatility parameterization to the observed compounds suggests organic
 sulfur species are likely key drivers of new particle growth in the region
 due to their low volatility compared to other species. 
description: Date of data collection: 2016-09 to 2017-06
 Geographic location of data collection:  Santarém-Km67-Primary
 Forest (BR-Sa1) tower site (2.857° S, 54.959° W),Pára, Brazil.
 Other details regarding these measurements can be found in the
 associated manuscript: Thomas, A. E., Glicker, H. S.,
 Guenther, A. B., Seco, R., Vega Bustillos, O., Tota, J., Souza, R. A. F.,
 and Smith, J. N.: Seasonal Investigation of Ultrafine Particle Composition
 in an Eastern Amazonian Rainforest, Atmos. Chem. Phys.
description: # Data from: Seasonal investigation of ultrafine particle composition in
 an eastern Amazonian rainforest This readme file was generated on
 2024-07-16 by Adam Thomas **GENERAL INFORMATION** Author/Principal
 Investigator Information 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](mailto: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](mailto:adamet1@uci.edu) Date of data collection:
 2016-09 to 2017-06 Geographic location of data collection:
 Santarém-Km67-Primary Forest (BR-Sa1) tower site (2.857° S, 54.959°
 W),Pára, Brazil. Information about funding sources that supported the
 collection of the data: Brazilian Science Mobility Program (Programa
 Ciência sem Fronteiras) Special Visiting Researcher Scholarship supported
 by the Brazilian government. Ramón y Cajal grant (RYC2020-410029216-I)
 funded by MCIN/AEI/ 10.13039/501100011033 “ESF Investing in your future”.
 IDAEA-CSIC is a Severo Ochoa Centre of Research Excellence (MCIN/AEI,
 Project CEX2018-000794-S) US Department of Energy (DE-SC0012704) Links to
 publications that cite or use the data: Thomas, A. E., Glicker, H. S.,
 Guenther, A. B., Seco, R., Vega Bustillos, O., Tota, J., Souza, R. A. F.,
 and Smith, J. N.: Seasonal Investigation of Ultrafine Particle Composition
 in an Eastern Amazonian Rainforest, Atmos. Chem. Phys. [URL] Recommended
 citation for this dataset: Smith, James (2024), Supporting Data for
 "Seasonal Investigation of Ultrafine Particle Composition in an
 Eastern Amazonian Rainforest", Dryad [dataset], [URL] **DATA &
 FILE OVERVIEW** File List: apin_o3_mz187.098_EIC.csv apin_o3_mz203_EIC.csv
 apin_o3_mz203_ms2.csv DEC_mz187.098_EIC.csv DEC_mz203_EIC.csv
 DEC_peak_list.csv JUN_mz203_EIC.csv JUN_peak_list.csv NSMPS_averages.csv
 SEP_mz187.0612_ms2.csv SEP_mz187.098_EIC.csv SEP_mz203_EIC.csv
 SEP_mz203_ms2.csv SEP_mz215_ms2.csv SEP_peak_list.csv **METHODOLOGICAL
 INFORMATION** Description of methods used for collection and processing of
 data, instrumentation, and specific software information can be found in
 this publication: Thomas, A. E., Glicker, H. S., Guenther, A. B., Seco,
 R., Vega Bustillos, O., Tota, J., Souza, R. A. F., and Smith, J. N.:
 Seasonal Investigation of Ultrafine Particle Composition in an Eastern
 Amazonian Rainforest, Atmos. Chem. Phys. [URL] Missing data code: n/a
 **DATA-SPECIFIC INFORMATION FOR ALL DATA FILES:** * File:
 apin_o3_mz187.098_EIC.csv Extracted ion current (EIC) chromatogram for ion
 detected with m/z 187.098 from the alpha-pinene ozonolysis experiment
 described in manuscript. Presented with the following variables:
 mz187_EIC_apin_time: chromatographic retention time (min)
 mz187_EIC_apin_rel: ion signal intensity (counts) - File:
 apin_o3_mz203_EIC.csv Extracted ion current (EIC) chromatogram for ion
 detected with m/z 203.056 from the alpha-pinene ozonolysis experiment
 described in manuscript. Presented with the following variables:
 mz203_210309_EIC_time: chromatographic retention time (min)
 mz203_210309_EIC_rel_abundance: ion signal intensity (counts) * File:
 apin_o3_mz203_ms2.csv Composite Higher Energy Dissociation (HCD)
 fragmentation mass spectrum at the 10, 30, and 50 HCD energy levels for
 ion detected with m/z 203.056 from the alpha-pinene ozonolysis experiment
 described in manuscript. Presented with the following variables:
 mz203_210309_MS2_mass: mass-to-charge ratio (m/z)
 mz203_210309_MS2_rel_int: ion signal intensity (counts) - File:
 DEC_mz187.098_EIC.csv Extracted ion current (EIC) chromatogram for ion
 detected with m/z 187.098 from the DEC sample. Presented with the
 following variables: mz187_EIC_dec_time: chromatographic retention time
 (min) mz187_EIC_dec_rel: ion signal intensity (counts) * File:
 DEC_mz203_EIC.csv Extracted ion current (EIC) chromatogram for ion
 detected with m/z 203.056 from the DEC sample. Presented with the
 following variables: mz203_EIC_dec_time: chromatographic retention time
 (min) mz203_EIC_dec_rel: ion signal intensity (counts) - File:
 DEC_peak_list.csv Full list of assigned and unassigned mass spectrum peaks
 detected in DEC sample, sorted by ascending m/z. Presented with the
 following variables: m/z: mass-to-charge ratio intensity: ion signal
 intensity (counts) \#C: number of carbon atoms assigned \#H: number of
 hydrogen atoms assigned \#O: number of oxygen atoms assigned \#N: number
 of nitrogen atoms assigned \#S: number of sulfur atoms assigned note: if
 atom # columns are unfilled, peak was not assigned an ion formula. * File:
 JUN_mz203_EIC.csv Extracted ion current (EIC) chromatogram for ion
 detected with m/z 203.056 from the JUN sample. Presented with the
 following variables: mz203_EIC_jun_time: chromatographic retention time
 (min) mz203_EIC_jun_rel: ion signal intensity (counts) - File:
 JUN_peak_list.csv Full list of assigned and unassigned mass spectrum peaks
 detected in JUN sample, sorted by ascending m/z. Presented with the
 following variables: m/z: mass-to-charge ratio intensity: ion signal
 intensity (counts) \#C: number of carbon atoms assigned \#H: number of
 hydrogen atoms assigned \#O: number of oxygen atoms assigned \#N: number
 of nitrogen atoms assigned \#S: number of sulfur atoms assigned note: if
 atom # columns are unfilled, peak was not assigned an ion formula. * File:
 NSMPS_averages.csv Time averaged particle number-size distributions of the
 particles collected for the JUN, SEP, and DEC samples. Presented with the
 following variables: DpWv: electrical mobility diameter (nm)
 dndlogdp_jun_avg: average particle concentration (dN/dlogDp, cm^-3) during
 JUN collection. dndlogdp_sept_avg: average particle concentration
 (dN/dlogDp, cm^-3) during SEP collection. dndlogdp_dec_avg: average
 particle concentration (dN/dlogDp, cm^-3) during DEC collection. - File:
 SEP_mz187.0612_ms2.csv Composite Higher Energy Dissociation (HCD)
 fragmentation mass spectrum at the 10, 30, and 50 HCD energy levels for
 ion detected with m/z 187.0612 from the SEP sample. Presented with the
 following variables: Mass: mass-to-charge ratio (m/z) Intensity: ion
 signal intensity (counts) * File: SEP_mz187.098_EIC.csv Extracted ion
 current (EIC) chromatogram for ion detected with m/z 187.098 from the SEP
 sample. Presented with the following variables: mz187_EIC_sep_time:
 chromatographic retention time (min) mz187_EIC_sep_rel: ion signal
 intensity (counts) - File: SEP_mz203_EIC.csv Extracted ion current (EIC)
 chromatogram for ion detected with m/z 203.056 from the SEP sample.
 Presented with the following variables: mz203_sep_EIC_time:
 chromatographic retention time (min) mz203_sep_EIC_rel_abundance: ion
 signal intensity (counts) * File: SEP_mz203_ms2.csv Composite Higher
 Energy Dissociation (HCD) fragmentation mass spectrum at the 10, 30, and
 50 HCD energy levels for ion detected with m/z 203.056 from the SEP
 sample. Presented with the following variables: mz203_210309_MS2_mass:
 mass-to-charge ratio (m/z) mz203_210309_MS2_rel_int: ion signal
 intensity (counts) - File: SEP_mz215_ms2.csv Composite Higher Energy
 Dissociation (HCD) fragmentation mass spectrum at the 10, 30, and 50 HCD
 energy levels for ion detected with m/z 215.023 from the SEP sample.
 Presented with the following variables: mz203_sep_MS2_mass: mass-to-charge
 ratio (m/z) mz203_sep_MS2_rel_int: ion signal intensity (counts) * File:
 SEP_peak_list.csv Full list of assigned and unassigned mass spectrum peaks
 detected in SEP sample, sorted by ascending m/z. Presented with the
 following variables: m/z: mass-to-charge ratio intensity: ion signal
 intensity (counts) \#C: number of carbon atoms assigned \#H: number of
 hydrogen atoms assigned \#O: number of oxygen atoms assigned \#N: number
 of nitrogen atoms assigned \#S: number of sulfur atoms assigned note: if
 atom # columns are unfilled, peak was not assigned an ion formula.