Abstract:

This dataset contains field samples data collected near Pensacola, Florida (57 days after the initial spill, and before the well was capped), Gulf Shores, Alabama (586 days post-spill), and Dauphin Island, Alabama (1368 days post-spill) from 2010-06-10 to 2014-11-27. The samples collected from RFP-V State of the art unraveling of the biotic and abiotic chemical evolution of Macondo oil was homogenized and extracted to yield the recalcitrant oil/oil weathering products. The extract was then fractionated into oil-soluble, interfacially active and oil-soluble, and interfacially in-active components. The interfacial material (IM) active species were further fractionated by modified aminopropyl silica (MAPS) to yield 10 IM active fractions. All fractions and extracts then analyzed by Fourier-transform ion cyclotron resonance (FT-ICR) mass spectrometry to reveal their molecular-level composition. This dataset supports the publication: Niles, S. F., Chacón-Patiño, M. L., Chen, H., McKenna, A. M., Blakney, G. T., Rodgers, R. P., & Marshall, A. G. (2019). Molecular-Level Characterization of Oil-Soluble Ketone/Aldehyde Photo-Oxidation Products by Fourier Transform Ion Cyclotron Resonance Mass Spectrometry Reveals Similarity Between Microcosm and Field Samples. Environmental Science & Technology, 53(12), 6887–6894. doi:10.1021/acs.est.9b00908

Suggested Citation:

Sydney F. Niles, Martha L. Chacón-Patiño, Huan Chen, Amy M. McKenna, Greg T. Blakney, Ryan P. Rodgers, Alan G. Marshall. 2019. Field Samples: Emulsion molecular-level data collected around three locations in the Gulf Coast from 2010-06-10 to 2014-01-27. Distributed by: GRIIDC, Harte Research Institute, Texas A&M University–Corpus Christi. doi:10.7266/n7-mpw7-rx40

Publications:

Niles, S. F., Chacón-Patiño, M. L., Chen, H., McKenna, A. M., Blakney, G. T., Rodgers, R. P., & Marshall, A. G. (2019). Molecular-Level Characterization of Oil-Soluble Ketone/Aldehyde Photo-Oxidation Products by Fourier Transform Ion Cyclotron Resonance Mass Spectrometry Reveals Similarity Between Microcosm and Field Samples. Environmental Science & Technology, 53(12), 6887–6894. doi:10.1021/acs.est.9b00908

Zito, P., Podgorski, D. C., Johnson, J., Chen, H., Rodgers, R. P., Guillemette, F., … Tarr, M. A. (2019). Molecular-Level Composition and Acute Toxicity of Photosolubilized Petrogenic Carbon. Environmental Science & Technology, 53(14), 8235–8243. doi:10.1021/acs.est.9b01894

Purpose:

Identify Ox transformation products in field samples.

Data Parameters and Units:

The dataset includes field samples of varying types: slicks/emulsions, tarballs, oil-soaked sand patties, and sediments, collected around the Gulf Coast from 2010 - 2014. For each of the time points (57, 586, and 1368 days after oil spill) there are 2 Excels containing oxidation transformation products. The locations and dates of sample collection are as follows: 57 days after oil spill- an offshore floating oil mat collected near Pensacola, FL (30.068° N, 86.89° W) on June 10, 2010 586 days after oil spill- sand patty collected in Gulf Shores, AL (30.25° N, 87.69° W) on November 27, 2011 1368 days after oil spill- rock scraping collected on Dauphin Island, AL on January 27, 2014 The main parameters are as follows: Number of Peaks = Number of Peaks on Full Spectrum with signal magnitude greater than six times the baseline root-mean-square noise % R. A. = Percent Relative Abundance DBE = double bond equivalents - number of aromatic rings plus double bonds to carbon % R. A.(No Hits Discarded) = Percent Relative Abundance with Non-Classified Peaks Removed A. M. W. average = Relative abundance weighted average molecular weight A.W. average C# = relative abundance weighted average carbon number A.W. average DBE = average number of double bond equivalents A.W. average H/C = relative abundance weighted average hydrogen-to-carbon ratio A.W. average O/C = relative abundance weighted average oxygen-to-carbon ratio A.W. average N/C = relative abundance weighted average nitrogen-to-carbon ratio Sum R. A. = Sum of Relative Abundance for all mass spectral peaks RMS Error = Root Mean Square Error PosESI = Positive Electrospray Ionization NegESI = Negative ion electrospray ionization APPI = atmospheric pressure photoionization

Methods:

After sample collection, samples were put in precombusted glass containers, kept at 0 ^o^C during transportation to laboratory and stored at −20 °C until further analysis. Samples of oiled sand (20 g) were homogenized with 20 g of sodium sulfate drying agent and, loaded into a 30 × 100 mm2 cellulose thimble. Extraction was with 90:10 (v/v) toluene/ methanol for 12 h and samples were desolvated under dry nitrogen (N2).

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