This Walker_2021_POLYMERNANOCOMPOSITEreadme.txt file was generated on 2021-07-07 by Imari Walker GENERAL INFORMATION 1. Title of Dataset: Data from: Influence of CNT loading and environmental stressors on leaching of polymer associated chemicals from epoxy and polycarbonate nanocomposites 2. Author Information A. Principal Investigator Contact Information Name: Lee P. Ferguson Institution: Duke University Address: Durham, NC, 27705 Email: lee.ferguson@duke.edu B. Associate or Co-investigator Contact Information Name: Imari Walker Institution: Duke University Address: Durham, NC, 27705 Email: imari.walker.karega@duke.edu C. Associate or Co-investigator Contact Information Name: Manuel D. Montaño Institution: Western Washington University Address: Bellingham, WA 98225 Email: montanm2@wwu.edu D. Associate or Co-investigator Contact Information Name: Ronald S. Lankone Institution: Johns Hopkins University Address: Baltimore, MD 21218 Email: rlankone@gmail.com E. Associate or Co-investigator Contact Information Name: Howard Fairbrother Institution: Johns Hopkins University Address: Baltimore, MD 21218 Email: howardf@jhu.edu 3. Date of data collection: 2017-01-11 to 2020-08-30 4. Geographic location of data collection: Durham, NC, USA 5. Information about funding sources that supported the collection of the data: Duke Center for Environmental Implications of Nanotechnology SHARING/ACCESS INFORMATION 1. Licenses/restrictions placed on the data: CC0 DATA & FILE OVERVIEW 1. File List: Walker_2021_EpoxyCNTAdditiveRelease CSV Walker_2021_EpoxyNoCNTKineticAdditiveRelease CSV Walker_2021_PolycarbonateCNTKineticAdditiveRelease CSV 2. Relationship between files, if important: None 3. Additional related data collected that was not included in the current data package: None 4. Are there multiple versions of the dataset? no METHODOLOGICAL INFORMATION 1. Description of methods used for collection/generation of data: Leaching experiments of poylcarbonate and epoxy nanocomposite discs and microplastics (with and without carbon nanotubes) were conducted in triplicate by submerging polymer nanocomposite samples in the aquatic leaching media. Each leaching experiment was sampled every 24 hours for a total of 120 hours. Polycarbonate samples were exposed to three different leaching solutions to test the effect of pH: simulated freshwater which is described as EPA moderately hard water (MHW) using EPA Method 1311, and simulated landfill leachate using the Toxicity Characteristic Leaching procedure (#1 and #2) (OECD Method 202.0) solutions at 65 ˚C (Weber, 1991, USEPA, 1992). All leaching experiments were incubated in the dark under various environmental conditions including temperature, UV light exposure, NOM presence in the leachate. Prior to selected PNC leaching experiments, polymer samples were placed in an Atlas Suntest CPS+ solar simulator (wavelength range 300 nm to 800 nm, 1500-Watt Xenon lamp) for 14 days. All polymer associated chemicals were analyzed by LC-MS/MS using an Ultimate 3000 UHPLC interfaced to a triple quadrupole mass spectrometer (TSQ Altis, ThermoFisher Scientific, San Jose, CA, USA). Injection volumes of 10-µL were separated on a Hypersil Gold aQ reverse phase column (100 x 2.1 mm; 1.9 µm, Thermo Fisher Scientific) operating at 35 ˚C and a flow rate of 300 µL min-1. Initial gradient conditions were 80% A (water) and 20 % B (acetonitrile). This gradient was held at 20% B for 1 min then ramped up 99% B over 8 min using a linear gradient with a subsequent hold at 99% B for 2 min before returning to initial conditions in 2 min. Initial conditions were held for 2 mins for column re-equilibration. Polymer associated chemicals, Bisphenol A (BPA) and 4-tert butylphenol (TBP) , were quantified by electrospray ionization (ESI) MS/MS operating in positive and negative mode using multiple reaction monitoring (MRM). 2. Methods for processing the data: Quantification of the compounds was completed using Xcalibur Quantification Software (ThermoFisher Scientific, San Jose, CA, USA). 3. Instrument- or software-specific information needed to interpret the data: 4. Standards and calibration information, if appropriate: A seven-point linear calibration series was prepared in water-acetonitrile (80:20) for all standards. Internal standards, BPA-d8, 4-n-nonylphenol, and BADGE-d6, were present in all samples and calibration solutions at 100 ng mL-1. 5. Environmental/experimental conditions: These were all the environmental conditions that varied in these leaching experiments: temperature, leachate media of differing pH, NOM content, UV exposure to polymer, and size of polymer nanocomposite. 6. Describe any quality-assurance procedures performed on the data: Blanks and samples were run in triplicate for all experiments. 7. People involved with sample collection, processing, analysis and/or submission: Imari Walker and Manuel Montano DATA-SPECIFIC INFORMATION FOR: [Walker_2021_EpoxyCNTAdditiveRelease] 1. Number of variables: 13 2. Number of cases/rows: 131 3. Variable List: Sample Name - Name of the sample when run on the LCMS Replicate - replicate sample number and will be assigned a number between 1 and 3 as all were completed in triplicate. Temperature - temperature treatments options are 25 and 65 degrees Celsius. Time (Days) - day that the sample was collected within the 5 day period of leaching. Treatment - describes if the plastic sample had previously been exposured to 14 days of UV light prior to leaching. Coded values are NOUV - not UV exposed plastic prior to leaching. and UV - UV exposed plastic prior to leaching. Plastic - describes the size of the polymer. Epoxy discs were 31.4 mm ± 0.2 mm in diameter and 1.3 mm ± 0.3 mm thickness and epoxy microplastics averaged 140 µm ± 21 µm. Coded as Disc and Micro CNT Percentage (%) - describes the percentage composition of the polmymer composite that contains single walled carbon nanotubes (SWeNT-SG65i purchased from Sigma Aldrich) and varies from 0 - 1 %. Plastic Weight (g) - this is the grams of plastic used in the leaching experiment. Water (g) - this is the grams of water present in the leaching experiment at each time point sampled. BPA (ng/mL) - concentration of Bisphenol A quantified using LCMS in nanograms per mililter of water. TBP (ng/mL) - concentration of 4-tert-butylphenol quantified using LCMS in nanograms per mililter of water. BPA (µg/g) - concentration of Bisphenol A converted to microgram of BPA per gram of epoxy. TBP (µg/g) - concentration of 4-tert-butylphenol converted to microgram of TBP per gram of epoxy. All leaching occured in EPA moderately hard water using EPA Method 1311 and had a pH of 8. 4. Missing data codes: None 5. Specialized formats or other abbreviations used: DATA-SPECIFIC INFORMATION FOR: [Walker_2021_EpoxyNoCNTKineticAdditiveRelease] 1. Number of variables: 12 2. Number of cases/rows: 496 3. Variable List: Sample Name - Name of the sample when run on the LCMS. Replicate - replicate sample number and will be assigned a number between 1 and 3 as all were completed in triplicate. Temperature - temperature treatments options are 25, 45 and 65 degrees Celsius. Time (hours) - the hour time point that the sample was collected within the 5 day period of leaching. Plastic - describes the size of the polymer. Epoxy discs were 31.4 mm ± 0.2 mm in diameter and 1.3 mm ± 0.3 mm thickness and epoxy microplastics averaged 140 µm ± 21 µm. Coded as Disc and Micro Treatment - describes if the plastic sample had previously been exposured to 14 days of UV light prior to leaching. Coded values are NOUV - not UV exposed plastic prior to leaching. and UV - UV exposed plastic prior to leaching. Plastic Weight (g) - this is the grams of plastic used in the leaching experiment. Water (g) - this is the grams of water present in the leaching experiment at each time point sampled. BPA (ng/mL) - concentration of Bisphenol A quantified using LCMS in nanograms per mililter of water. TBP (ng/mL) - concentration of 4-tert-butylphenol quantified using LCMS in nanograms per mililter of water. BPA (µg/g) - concentration of Bisphenol A converted to microgram of BPA per gram of epoxy. TBP (µg/g) - concentration of 4-tert-butylphenol converted to microgram of TBP per gram of epoxy. All leaching occured in EPA moderately hard water using EPA Method 1311 and had a pH of 8. None of the epoxy had carbon nanotubes placed within the plastic for this kinetic study. 4. Missing data codes: None 5. Specialized formats or other abbreviations used: DATA-SPECIFIC INFORMATION FOR: [Walker_2021_PolycarbonateCNTKineticAdditiveRelease] 1. Number of variables: 12 2. Number of cases/rows: 736 3. Variable List: Sample Name of the sample when run on the LCMS Replicate - replicate sample number and will be assigned a number between 1 and 3 as all were completed in triplicate. Temperature - temperature treatments options are 25 and 65 degrees Celsius Time (Days) - day that the sample was collected within the 5 day period of leaching. Media - describes the leaching media used in the experiment and can be either: EPAMHW, TCLP1, or TCLP2. EPAMHW has a pH of ~8.1; TCLP1 has a pH of ~4.1; TCLP2 has a pH of ~2.8. Treatment - describes if the plastic sample had previously been exposured to 5 days of UV light prior to leaching. Coded values are NOUV - not UV exposed plastic prior to leaching. and UV - UV exposed plastic prior to leaching. NOM_NONE - describes if the plastic sample was being leached with natural organic matter present in the leaching water. Coded as NOM - 10 ppm Suwanee River natural organic matter. NONE - 0 ppm Suwanee River natural organic matter. Water (g) this is the grams of water present in the leaching experiment at each time point sampled. Plastic Weight (mg) - this is the disc weight in miligrams of polycarbonate nanocomposite used in the leaching experiment. Polycarbonate discs used in leaching had a dimension of 38.8 ± 1.2 mm in diameter and 0.06 ± 0.01 mm thickness CNT percentage (%) describes the percentage composition of the polmymer composite that contains single walled carbon nanotubes (AP-SWCNT purchased from Carbon Solutions) and varies from 0 - 0.3 %. BPA ng/mL concentration of Bisphenol A quantified using LCMS in nanograms per mililter of water. BPA µg/g concentration of Bisphenol A converted to microgram of BPA per gram of polycarbonate. 4. Missing data codes: None 5. Specialized formats or other abbreviations used: