Abstract:
In this study, heavy (NIST 1621e heavy fuel oil, NIST.gov) and light oils (surrogate Macondo oil, provided by BP August 2011, chain of custody number 20110803-Tarr-072) were irradiated over seawater with simulated sunlight to examine the molecular-level composition and acute toxicity per unit carbon of the petroleum-derived dissolved organic matter (DOMHC) produced via photooxidation. 50 mL filtered seawater obtained from the Gulf of Mexico at the Louisiana Universities Marine Consortium (LUMCON) (35 ppt salinity, pH 8.3, DOC 1.5 ppm) was added to oil (388 mg of heavy oil and 325 mg of light oil) that had been previously mixed with organic solvents (HPLC grade Toluene and pentane). After evaporation of solvents, the oil films were irradiated in a solar simulator for 4 days at 27 ^o^C. A dark control was also performed. Water samples were filtered 0.27 µm glass microfiber filters and stored at 4 °C until analysis Samples were analyzed with Ultrahigh-resolution mass spectrometry. This dataset supports the publication: Zito, P., Podgorski, D. C., Johnson, J., Chen, H., Rodgers, R. P., Guillemette, F., Kellerman, A.M., Spencer, R.G.M., 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
Data Parameters and Units:
Main parameters: Produced dissolved organic carbon (DOC) in milligrams of carbon per liter. EEMS spectra: emission wavelength (nanometers) vs. excitation wavelength (nanometers). Mass spectral data: hydrogen/carbon ratio vs. oxygen/carbon ratio (as obtained from the elemental compositions assigned). Toxicity: bacterial bioluminescence inhibition (%) vs. exposure period to contaminants.
The worksheet "Figure 3" contains: H/C (hydrogen/carbon), O/C (oxygen/carbon), Light (0, 24, 48, 72, 96, 120, 144, 168, 192, 216, 240 hours), heavy (0, 24, 48, 72, 96, 120, 144, 168, 192, 216, 240 hours). Light and heavy refer to types of crude oil, which are Macondo oil (MC) and NIST 1621e heavy fuel oil (NIST.gov) respectively.
The worksheet "Figure 4" contains: Exposure Period (hours), Oil Type (light and heavy), Acute Toxicity, and Component 2.
The worksheet "Figure 5 PCA" contains: Exposure Period (hours), Oil Type, Toxicity, Component 1-6, DOC (dissolved organic carbon), A254 nm (absorption at 254 nm), HIX (humification index), Condensed Aromatics, Aromatics, Unsaturated Low O (oxygen), Aliphatic, Unsaturate High O, T:A (TI).
The worksheet "Figure 6" contains the data similar to the worksheet "Figure 3".
The worksheet "Table S1" contains: Table S1 are Exposure Period (hours), DOC (dissolved organic carbon), a254 (absorption at 254 nm), C1-6, HIX (humification index), Aliphatic, Unsaturated Low O/C, Unsaturated High O/C, Condensed Aromatic, Aromatic, and Acute Toxicity.
The worksheet "Figure S1" contains: Figure S1 are Exposure Period (hours), DOC (dissolved organic carbon), Aliphatic, Unsaturated Low O/C, Unsaturated High O/C, Condensed Aromatic, Aromatic, and Acute Toxicity.
The worksheet "Figure S3 TI " contains: sample (either light or heavy), T:A (ratio of peaks), Acute toxicity.
Please note all the worksheets name in the data file refers to the figures and tables in the associated publication Zito et al., 2019.
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