This readme.txt file was generated on 2024-05-20 by Collin Clay Recommended citation for the data: Clay, Collin D; Mueller, Chelsea M; Rich, Christopher; Schatz, George C; Bruggeman, Peter; Frontiera, Renee R. (2024). Evidence for superoxide-initiated oxidation of aniline in water by pulsed, atmospheric pressure plasma. Retrieved from the University Digital Conservanc https://doi.org/10.13020/z00b-wa52 ------------------- GENERAL INFORMATION ------------------- 1. Title of Dataset: Data for Evidence for superoxide-initiated oxidation of aniline in water by pulsed, atmospheric pressure plasma 2. Author Information Author Contact: Renee R. Frontiera (rrf@umn.edu) Name: Collin D. Clay Institution: University of Minnesota Email: clay0164@umn.edu ORCID: 0009-0003-5306-3275 Name: Chelsea M. Mueller Institution: Northwestern University Email:chelseamueller2020@u.northwestern.edu ORCID:0000-0002-6704-4185 Name: Christopher Rich Institution: University of Minnesota Email: crich@binghamton.edu ORCID:0000-0002-3505-7643 Name: George C. Schatz Institution: Northwestern University Email: g-schatz@northwestern.edu ORCID:0000-0001-5837-4740 Name: Peter Bruggeman Institution: University of Minnesota Email: pbruggem@umn.edu ORCID:0000-0003-3346-7275 Name: Renee R. Frontiera Institution: University of Minnesota Email: rrf@umn.edu ORCID: 0000-0001-8218-7574 3. Date published or finalized for release: 2024-05-13 4. Date of data collection: 2022-10-25 to 2023-03-18 5. Geographic location of data collection (where was data collected?): University of Minnesota - Twin Cities, Kolthoff Hall, Room 96 6. Information about funding sources that supported the collection of the data: Army Research Office Grant No. W911NF‐20‐1‐0105 7. Overview of the data (abstract): Plasma-driven solution electrochemistry (PDSE) uses plasma-generated reactive species to drive redox reactions in solution. Non-thermal, atmospheric pressure plasmas, when irradiating water, produce many redox species. While PDSE is a promising chemical tool, there is limited insight into the mechanisms of the reactions due to the variety of short-lived reagents produced. In this study, we use aniline as a model system for studying redox mechanisms of PDSE. We show that the plasma irradiation of aqueous aniline solutions drives the formation of polyaniline oligomer, which is suppressed under acidic starting conditions. The addition of (2,2,6,6-Tetramethylpiperidin-1-yl)oxyl (TEMPO), a radical scavenger, decreases the formation of oligomer by 80%, and the addition of superoxide dismutase fully hinders oligomerization. These results lead us to conclude that the oligomerization of aniline by plasma irradiation is initiated by superoxide. This discovery provides novel insights into PDSE mechanisms and illustrates a potential method of harnessing superoxide for chemical reactions. -------------------------- SHARING/ACCESS INFORMATION -------------------------- 1. Licenses/restrictions placed on the data: CC0 1.0 Universal (http://creativecommons.org/publicdomain/zero/1.0/) 2. Links to publications that cite or use the data: Clay, Collin D; Mueller, Chelsea M; Rich, Christopher; Schatz, George C; Bruggeman, Peter; Frontiera, Renee R. Superoxide-initiated oxidation of aniline in water by pulsed, atmospheric pressure plasma. (under review) 3. Was data derived from another source? If yes, list source(s): 4. Terms of Use: Data Repository for the U of Minnesota (DRUM) By using these files, users agree to the Terms of Use. https://conservancy.umn.edu/pages/policies/#drum-terms-of-use --------------------- DATA & FILE OVERVIEW --------------------- Filename: pH 7 and TEMPO Area Fitting 22-10-25.pxp Short description: Analysis and Raw Data for pH 7 control and TEMPO data Filename: Molar Equivalent TEMPO 22-10-27.pxp Short description: Molar Equivalent TEMPO Data and Analysis Filename: pH 5 Analysis 22-11-15.pxp Short description: pH 5 Analysis Filename: pH4 Analysis Final 22-11-17.pxp Short description: pH 4 analysis Filename: SOD Data Work Up.pxp Short description: Superoxide dismutase experiment data and work up Filename: KO2 Data Work Up.pxp Short description: Potassium superoxide data and analysis Filename: Peroxynitrite experiment analysis.pxp Short description: Data and analysis of peroxynitrite positive control experiments Filename: SEC data 22-08.xlsx Short description: SEC data of oxidized aniline sample 2. Relationship between files: These are all of the raw data and worked up data files from the experimental set. -------------------------- METHODOLOGICAL INFORMATION -------------------------- 1. Description of methods used for collection/generation of data: All samples were prepared in aqueous solution as described in the main paper text. For plasma irradiated samples, each sample was independently irradiated with pulsed DC helium jet plasma for one hour. The Raman spectra were measured prior to irradiation, and every 10 minutes during irradiation. All spectra were measured using a 633nm incident laser, and the Raman scattering was collected and measured using a CCD array. Samples not irradiated with plasma were measured using the same procedure. The non-reacted aniline samples were measured with Raman spectroscopy, then the reaction was ran using methods described in the paper and the measurement was taken again. 2. Methods for processing the data: The raw Raman spectra were averaged for each sample, then a background subtraction was performed using a polynomial fitting algorithm. Peaks were placed under a mask array for background fitting. After the background was subtracted, the difference spectra were calculated by subtracting the control spectra (or time equals zero) from the plasma irradiated spectra. The area under the curve was calculated using the Igor multi-peak fitting tool. 3. Instrument- or software-specific information needed to interpret the data: Igor is required to read the data. No other software or instrumentation should be needed to interpret the work. 4. Standards and calibration information, if appropriate: All Raman wavenumbers were calibrated using a cyclohexane standard. The power of the laser was measured prior to each measurement to calculated the counts per milliwatt seconds. 5. Environmental/experimental conditions: All sample were prepared in standard ambient conditions, and the aniline was freshly distilled prior to experiments. All plasma experiments were held to a 1kHz repetition rate for pulsing and one microsecond pulse width. The container is left in open air conditions. All sample were grounded. 6. Describe any quality-assurance procedures performed on the data: 7. People involved with sample collection, processing, analysis and/or submission: Collin Clay (Experimental) Chelsea Mueller (Computational)