An explanation of the provided open data files for the manuscript "Submicron- and Nanoplastic Detection at Low Micro- to Nanogram Concentrations Using Gold Nanostar-Based Surface-Enhanced Raman Scattering (SERS) Substrates" Jessica Caldwell,1 Patricia Taladriz-Blanco,2,* Laura Rodriguez-Lorenzo,2 Barbara Rothen-Rutishauser,1 and Alke Petri-Fink1,3,* 1Adolphe Merkle Institute, University of Fribourg, Chemin des Verdiers 4, 1700 Fribourg, Switzerland 2Water Quality Group, International Iberian Nanotechnology Laboratory (INL), Av. Mestre Jose Veiga s/n, 4715-330, Braga, Portugal 3Department of Chemistry, University of Fribourg, Chemin du Musée 9, 1700 Fribourg, Switzerland *Patricia Taladriz-Blanco: patricia.taladrizblanco@unifr.ch; Alke Petri-Fink: alke.fink@unifr.ch Relevant abbreviations: - APTES = (3-Aminopropyl)triethoxysilane - AuNP = Gold nanoparticle - AuSeed = Spherical gold nanoparticle seeds (used for synthesis of other AuNP types). - AuSphere = Gold nanosphere - AuStar = Gold nanostar - CRR = Cosmic Ray Removal - DLS = Dynamic light scattering - EM = Electron microscopy - LOD = Limit of detection - MP = Microplastic - MQ = Milli-Q water - PAH = Poly(allylamine hydrochloride) - PE = Polyethlyene - PET = Poly(ethylene terephthalate) - PP = Polypropylene - PS = Polystyrene - PVP = Polyvinylpyrrolidone - SEM = Scanning electron microscope - SERS = Surface-enhanced Raman scattering (spectroscopy) - SubBG = Subtracted background - Synth = Synthesized - TEM = Transmission electron microscope - UV-Vis = Ultraviolet-visible (spectroscopy) - Z = Zeta potential The following repository contains .zip folders which are organized according to the figure they correspond to within the main manuscript and SI files. - "Figure1AuStarsPlasmonics" corresponding to main manuscript Figure 1, with the following contents: - A sub-folder labeled "SEM" containing the raw .tif image file obtained for SEM imaging of an AuStars-based SERS substrate in addition to the processed image (contrast and brightness adjusted, cropped to remove the system information bar beneath, scale bar added) that was presented in the manuscript. - A sub-folder labeled "TEM" containing the raw .tif image file obtained for TEM imaging of an AuStars dispersion in addition to the processed image (Gaussian blur, contrast adjustments, scale bar) that was presented in the manuscript. - A sub-folder labeled "UVVis" containing the raw spectral files obtained for an initial AuStars dispersion (AuStars101221_B1MQFinal_Smooth) and the final AuStars-based SERS substrate (Slide_Piranha_4h2APTES_24hAuStars101221B1_Smooth) obtained. These data files are presented as .txt files and the orignal Excel files obtained in order to provide maximum accessibility. - The Origin file containing the final UV-Vis graphs formatted for publication (using the raw data provided in the "UVVis" sub-folder). - "Figure2PSAuStarsSERS" corresponding to main manuscript Figure 2, with the following contents: - A sub-folder labeled "33nmPS" containing the raw .txt Raman spectra for the 33 nm PS particles on AuStars SERS substrates along with the bright field images obtained for each region of interest that was measured. The spectral file names list the exact experimental conditions (i.e., SERS substrate creation parameters, PS particle concentration, Raman measurement laser power, accumulation number, and integration time, as well as any data treatment such as CRR or background subtraction that was conducted with the WITec Control 5 software) used to obtain the final data presented. - A sub-folder labeled "161nmPS" containing the raw .txt Raman spectra for the 161 nm PS particles on AuStars SERS substrates along with the bright field images obtained for each region of interest that was measured. The spectral file names list the exact experimental conditions (i.e., SERS substrate creation parameters, PS particle concentration, Raman measurement laser power, accumulation number, and integration time, as well as any data treatment such as CRR or background subtraction that was conducted with the WITec Control 5 software) used to obtain the final data presented. - The Origin file containing the final spectral plots for both PS particle types formatted for publication (using the raw data provided in the two sub-folders). - "Figure3PETPEPPAuStarsSERS" corresponding to main manuscript Figure 3, with the following contents: - A sub-folder labeled "PE" containing the raw .txt Raman spectrum for the 126 nm PE particles on AuStars SERS substrates along with the bright field image obtained for the region of interest that was measured. The spectral file name lists the exact experimental conditions (i.e., SERS substrate creation parameters, PE particle concentration, Raman measurement laser power, accumulation number, and integration time, as well as any data treatment such as CRR or background subtraction that was conducted with the WITec Control 5 software) used to obtain the final data presented. - A sub-folder labeled "PET" containing the raw .txt Raman spectra for the 36 nm PET particles on AuStars SERS substrates along with the bright field images obtained for each region of interest that was measured. The spectral file names list the exact experimental conditions (i.e., SERS substrate creation parameters, PET particle concentration, Raman measurement laser power, accumulation number, and integration time, as well as any data treatment such as CRR or background subtraction that was conducted with the WITec Control 5 software) used to obtain the final data presented. - A sub-folder labeled "PP" containing the raw .txt Raman spectrum for the 121 nm PP particles on AuStars SERS substrates along with the bright field image obtained for the region of interest that was measured. The spectral file name lists the exact experimental conditions (i.e., SERS substrate creation parameters, PP particle concentration, Raman measurement laser power, accumulation number, and integration time, as well as any data treatment such as CRR or background subtraction that was conducted with the WITec Control 5 software) used to obtain the final data presented. - An Origin file labeled "SERS36PET" containing the final spectral plots for 36 nm PET particles formatted for publication (using the raw data provided in the PET sub-folder). - An Origin file labeled "SERSPEPP" containing the final spectral plots for both 126 nm PE and 121 nm PP particles formatted for publication (using the raw data provided in the corresponding sub-folder). - "Table1PhysicochemicalCharacterization" corresponding to main manuscript Table 1 with the following contents: - A sub-folder labeled "DLSZeta" containing .pdf report files summarizing the data collected for the hydrodynamic size (DLS) and zeta potential of every particle type used in the published study. - A sub-folder labeled "EM" which contains all values obtained from core sizing of every particle type using TEM or SEM, with the files provided as both .txt and excel .csv files for maximum accessibility. - "Table2LODSummary" corresponding to main manuscript Table 2 with the following contents: - An excel spreadsheet containing all relevant information utilized to convert mass-based concentrations into particle number-based concentrations. - "FigureS1RepresentativeEMImages" corresponding to the supplementary information Figure S1, with the following contents: - A sub-folder labeled "Processed" containing the processed EM images of each particle type used in the study. Images were contrast and brightness adjusted and cropped to remove the system information bar beneath before a scale bar was added to obtain the final version presented in the manuscript. - A sub-folder labeled "Raw" containing the original .tif files obtained during EM imaging. - The Origin file contining the final, formatted box plot of all sizing data for each particle type used in the study (labeled "SizingBoxPlot", generated using the raw data presented in the "Table1PhysicochemicalCharacterization" sub-folder "EM"). - "FigureS2SEMControls" corresponding to the supplementary information Figure S2, with the following contents: - Raw .tif files obtained from SEM imaging a blank control for plastic particle sizing correction and the final, processed (contrast and brightness adjusted and cropped to remove the system information bar beneath before a scale bar was added) images presented in the SI file. - "FigureS3AuSpheresPlasmonics" corresponding to the supplementary information Figure S3, with the following contents: - A sub-folder labeled "SEM" containing the raw .tif image file obtained for SEM imaging of an AuSpheres-based SERS substrate in addition to the processed image (contrast and brightness adjusted, cropped to remove the system information bar beneath, scale bar added) that were presented in the SI. - A sub-folder labeled "UVVis" containing the raw spectral files obtained for an initial AuSpheres dispersion (43nmAuSpheres_Synth29321_PostCentrigure_1to4MQ) and the final AuStars-based SERS substrate (Slide_PAH_1mM43nmAu(Synth29321)_4hSoak-2) obtained. Additionally, the UV-Vis spectra for AuSeeds with and without PVP functionalization are presented. These data files are presented as .txt files and the orignal Excel files obtained in order to provide maximum accessibility. - An Origin file labeled "AuNPs" containing the final UV-Vis graphs formatted for publication (using the raw data provided in the "UVVis" sub-folder). - "FigureS4RamanMPs" corresponding to the supplementary information Figure S4, with the following contents: - Raw .txt Raman spectra for the MP particles along with the bright field image obtained for the region of interest that was measured. The spectral file name lists the exact experimental conditions (i.e., SERS substrate creation parameters, MP particle type and size, Raman measurement laser power, accumulation number, and integration time, as well as any data treatment such as CRR or background subtraction that was conducted with the WITec Control 5 software) used to obtain the final data presented. - An Origin file labeled "RamanSpectraMPs" containing the final plots for all MP control types formatted for the SI (using the raw spectral files provided in the same folder). - "FigureS5RamanControlStocks" corresponding to the supplementary information Figure S5, with the following contents: - Raw .txt Raman spectra for the stock 161 nm PS, 33 nm PS, and 36 nm PET particles along with the bright field image obtained for the region of interest that was measured. The spectral file name lists the exact experimental conditions (i.e., SERS substrate creation parameters, plastic particle type, Raman measurement laser power, accumulation number, and integration time, as well as any data treatment such as CRR or background subtraction that was conducted with the WITec Control 5 software) used to obtain the final data presented. - An Origin file labeled "RamanSpectraStocks" containing the final plots for all stock control types formatted for the SI (using the raw spectral files provided in the same folder). - "FigureS6PSRamanGlassControls" corresponding to the supplementary information Figure S6, with the following contents: - A sub-folder labeled "33nmPS" containing the raw .txt Raman spectra for the 33 nm PS particles on plain glass slides along with the bright field images obtained for each region of interest that was measured. The spectral file names list the exact experimental conditions (i.e., PS particle concentration, Raman measurement laser power, accumulation number, and integration time, as well as any data treatment such as CRR or background subtraction that was conducted with the WITec Control 5 software) used to obtain the final data presented. - A sub-folder labeled "161nmPS" containing the raw .txt Raman spectra for the 161 nm PS particles on plain glass slides along with the bright field images obtained for each region of interest that was measured. The spectral file names list the exact experimental conditions (i.e., PS particle concentration, Raman measurement laser power, accumulation number, and integration time, as well as any data treatment such as CRR or background subtraction that was conducted with the WITec Control 5 software) used to obtain the final data presented. - The Origin file containing the final spectral plots for both PS particle types formatted for publication (using the raw data provided in the two sub-folders). - "FigureS7SERSPETPEPPAuSpheres" corresponding to the supplementary information Figure S7, with the following contents: - A sub-folder labeled "PE" containing the raw .txt Raman spectrum for the 126 nm PE particles on AuSpheres SERS substrates along with the bright field image obtained for the region of interest that was measured. The spectral file name lists the exact experimental conditions (i.e., SERS substrate creation parameters, PE particle concentration, Raman measurement laser power, accumulation number, and integration time, as well as any data treatment such as CRR or background subtraction that was conducted with the WITec Control 5 software) used to obtain the final data presented. - A sub-folder labeled "PET" containing the raw .txt Raman spectra for the 36 nm PET particles on AuSpheres SERS substrates along with the bright field images obtained for each region of interest that was measured. The spectral file names list the exact experimental conditions (i.e., SERS substrate creation parameters, PET particle concentration, Raman measurement laser power, accumulation number, and integration time, as well as any data treatment such as CRR or background subtraction that was conducted with the WITec Control 5 software) used to obtain the final data presented. - A sub-folder labeled "PP" containing the raw .txt Raman spectrum for the 121 nm PP particles on AuSpheres SERS substrates along with the bright field image obtained for the region of interest that was measured. The spectral file name lists the exact experimental conditions (i.e., SERS substrate creation parameters, PP particle concentration, Raman measurement laser power, accumulation number, and integration time, as well as any data treatment such as CRR or background subtraction that was conducted with the WITec Control 5 software) used to obtain the final data presented. - An Origin file labeled "SERSAuSpheres" containing the final spectral plots for 126 nm PE, 36 nm PET, and 121 nm PP particles formatted for publication (using the raw data provided in the corresponding sub-folder). - "FigureS8PETGlassControls" corresponding to the supplementary information Figure S8, with the following contents: - A sub-folder labeled "Controls" containing the raw .txt Raman spectrum for the clean glass slides and both the AuStars and AuSpheres SERS substrates alone as a control. The bright field images obtained for each region of interest that was measured are also included. The spectral file name lists the exact experimental conditions (i.e., Which substrate the measurement is for, Raman measurement laser power, accumulation number, and integration time, as well as any data treatment such as CRR or background subtraction that was conducted with the WITec Control 5 software) used to obtain the final data presented. - A sub-folder labeled "PET" containing the raw .txt Raman spectra for the 36 nm PET particles on clean glass slides along with the bright field images obtained for each region of interest that was measured. The spectral file names list the exact experimental conditions (i.e., PET particle concentration, Raman measurement laser power, accumulation number, and integration time, as well as any data treatment such as CRR or background subtraction that was conducted with the WITec Control 5 software) used to obtain the final data presented. - An Origin file labeled "SubstrateControls" containing the final spectral plots for 36 nm PET on glass and all relevant blank controls that were formatted for publication (using the raw data provided in the corresponding sub-folder).