DOI: 10.5061/dryad.5mkkwh7ct
title: Diffusely charged polymeric zwitterions as loosely hydrated marine antifouling coatings

description: This dataset accompanies the article "Diffusely Charged Polymeric
 Zwitterions as Loosely Hydrated Marine Antifouling Coatings" by Shawn
 D. Mengel, Wen Guo, Guangyao Wu, John A. Finlay, Peter Allen, Anthony S.
 Clare, Riddhiman Medhi, Zhan Chen, Christopher K. Ober, and Rachel A.
 Segalman in Langmuir in 2023 (LINK). The article demonstrates that more
 diffusely charged polymeric zwitterions have improved surface hydration,
 which correlates with improved fouling resistance to Ulva linza.
 This dataset contains the necessary experimental data to reproduce the
 main text and supporting figures. Nuclear magnetic resonance spectra,
 vibrational sum frequency generation spectra, marine fouling assays, and
 contact angle measurements are included.
description: Please refer to the methods section of the published main text
 for details on dataset collection and processing.
description: This README.md file was generated on 20231023 by Shawn Mengel ## GENERAL
 INFORMATION 1. Title of Dataset: Diffusely Charged Polymeric Zwitterions
 as Loosely Hydrated Marine Antifouling Coatings 2. Author Information A.
 Principal Investigator Contact Information Name: Rachel A. Segalman
 Institution: University of California Santa Barbara Address: Department of
 Chemical Engineering, University of California, Santa Barbara, 93106
 Email: B. Associate or Co-investigator Contact
 Information Name: Shawn D. Mengel Institution: University of California
 Santa Barbara Address: Department of Chemical Engineering, University of
 California, Santa Barbara, 93106 Email: C.
 Associate or Co-investigator Contact Information Name: Wen Guo
 Institution: University of Michigan Address: Department of Chemistry,
 University of Michigan, Ann Arbor, Michigan 48103 Email:
 D. Associate or Co-investigator Contact
 Information Name: Guangyao Wu Institution: University of Michigan Address:
 Department of Chemistry, University of Michigan, Ann Arbor, Michigan 48103
 Email: E. Associate or Co-investigator Contact
 Information Name: John A. Finlay Institution: Newcastle University
 Address: School of Natural and Environmental Studies, Newcastle
 University, Newcastle upon Tyne NE1 7RU Email:
 F. Associate or Co-investigator
 Contact Information Name: Peter Allen Institution: Newcastle University
 Address: School of Natural and Environmental Studies, Newcastle
 University, Newcastle upon Tyne NE1 7RU Email:
 G. Associate or Co-investigator
 Contact Information Name: Anthony S. Clare Institution: Newcastle
 University Address: School of Natural and Environmental Studies, Newcastle
 University, Newcastle upon Tyne NE1 7RU Email:
 H. Associate or Co-investigator Contact
 Information Name: Riddhiman Medhi Institution: Cornell University Address:
 Department of Materials Science and Engineering, Cornell University,
 Ithaca, New York, 14583 Email: I.
 Associate or Co-investigator Contact Information Name: Zhan Chen
 Institution: University of Michigan Address: Department of Chemistry,
 University of Michigan, Ann Arbor, Michigan 48103 Email:
 J. Associate or Co-investigator Contact
 Information Name: Christopher K. Ober Institution: Cornell University
 Address: Department of Materials Science and Engineering, Cornell
 University, Ithaca, New York, 14583 Email: 3.
 Date of data collection (single date, range, approximate date): 2021-08-01
 to 2023-07-01 4. Geographic location of data collection: Santa Barbara,
 CA; Ann Arbor, MI; Newcastle upon Tyne, UK 5. Information about funding
 sources that supported the collection of the data: This research was
 primarily supported by the Office of Naval Research awards
 N00014-16-1-2960, N00014-20-1-2248, N00014-20-1-2152, N00014-20-1-2234,
 N00014-23-1-2127, and N00014-23-1-2142. This work made use of the Cornell
 University NMR Facility, which is supported, in part, by the NSF through
 MRI award CHE-1531632. Polymer post-functionalization leveraged shared
 experimental facilities supported by the NSF MRSEC program under Award No.
 DMR 1720256. SDM acknowledges support from the National Science Foundation
 Graduate Research Fellowship (DGE 2139319). ## SHARING/ACCESS INFORMATION
 1. Licenses/restrictions placed on the data: N/A 2. Links to publications
 that cite or use the data:
 3. Links to other
 publicly accessible locations of the data: N/A 4. Links/relationships to
 ancillary data sets: N/A 5. Was data derived from another source? no 6.
 Recommended citation for this dataset: Mengel, Shawn et al. (2023),
 Diffusely Charged Polymeric Zwitterions as Loosely Hydrated Marine
 Antifouling Coatings, Dryad, Dataset, 10.5061/dryad.5mkkwh7ct ## DATA
 & FILE OVERVIEW 1. File List: Files are orgranized into folders based
 on figure/table number from the corresponding manuscript. Files are named
 as "Figure#_Technique_SampleID.csv". A. Figure2: Sum Frequency
 Generation spectra in the O-H stretch region, ssp polarization
 combination. a. Figure2a_SFG_ssp_water.csv 1\. Variables: sample name
 (units=none), liquid type (units=none), wavenumber (units=inverse
 centimeters), SFG intensity (units=arbitrary) 2\. Column names: sample,
 environment, wavenumber, SFG b. Figure2b_SFG_ssp_saltwater.csv 1\.
 Variables: sample name (units=none), liquid type (units=none), wavenumber
 (units=inverse centimeters), SFG intensity (units=arbitrary) 2\. Column
 names: sample, environment, wavenumber, SFG B. Figure3: Sum Frequency
 Generation spectra in the amide stretch region, fibrinogen adsorption
 assay. a. Figure3_SFG_fibrinogen.csv 1\. Variables: sample name
 (units=none), polarization combination (units=none), wavenumber
 (units=inverse centimeters), SFG intensity (units=arbitrary) 2\. Column
 names: sample, polarization, wavenumber, SFG C. Figure4: Ulva linza marine
 fouling assay results a. Figure4a_assay_settlement.txt 1\. Variables:
 sample name (units=none), spore density (units=cells per square
 millimeter), 95 percent confidence interval (units=cells per square
 millimeter) 2\. Column names: sample, density_mm2, 95_confidence b.
 Figure4b_assay_removal.txt 1\. Variables: sample name (units=none),
 percent cells removed (units=percent), upper standard error bound
 (units=percent), lower standard error bound (units=percent) 2\. Column
 names: sample, percent_removed, upper, lower c.
 Figure4c_assay_remainingbiomass.txt 1\. Variables: sample name
 (units=none), remaining biomass (units=relative fluorescence units),
 standard error (units = relative fluorescence units) 2\. Column names:
 sample, remaining, standard_error D. TableS1: Triblock copolymer molecular
 weight obtained by GPC and NMR a. TableS1_GPCandNMR_triblock.txt 1\.
 Variables: Label (units=none), characterization type (units=none), value
 (units=varied), units (units=none), notes (units=none) 2\. Column names:
 Label, parameter, value, units, notes E. FigureS2: NMR of triblock after
 AmSH click reaction, recorded in CDCl3 a. FigureS2_NMR_triblock_AmSH.csv
 1\. Variables: 1H NMR chemical shift (units=parts per million), intensity
 (units=arbitrary) 2\. Column names: shift, intensity F. FigureS3: NMR of
 triblock after ImSH click reaction, recorded in CDCl3 a.
 FigureS3_NMR_triblock_ImSH.csv 1\. Variables: 1H NMR chemical shift
 (units=parts per million), intensity (units=arbitrary) 2\. Column names:
 shift, intensity G. FigureS4: NMR of triblock after PyrSH click reaction,
 recorded in CDCl3 a. FigureS4_NMR_triblock_PyrSH.csv 1\. Variables: 1H NMR
 chemical shift (units=parts per million), intensity (units=arbitrary) 2\.
 Column names: shift, intensity H. FigureS5: NMR of AmTFSI-functionalized
 triblock polymer, recorded in CDCl3 a. FigureS5_NMR_triblock_AmTFSI.csv
 1\. Variables: 1H NMR chemical shift (units=parts per million), intensity
 (units=arbitrary) 2\. Column names: shift, intensity I. FigureS6: NMR of
 ImTFSI-functionalized triblock polymer, recorded in CDCl3 a.
 FigureS6_NMR_triblock_ImTFSI.csv 1\. Variables: 1H NMR chemical shift
 (units=parts per million), intensity (units=arbitrary) 2\. Column names:
 shift, intensity J. FigureS7: NMR of PyrTFSI-functionalized triblock
 polymer, recorded in CDCl3 a. FigureS7_NMR_triblock_PyrTFSI.csv 1\.
 Variables: 1H NMR chemical shift (units=parts per million), intensity
 (units=arbitrary) 2\. Column names: shift, intensity K. TableS2:
 Calculated molecular volumes of the cationic groups, using group
 contribution theory a. TableS2_molecular_volumes.txt 1\. Variables: cation
 label (units=none), van der Waals volume (units=cubic angstroms),
 molecular volume (units=cubic angstroms) 2\. Column names: cation, vdw
 volume, molecular volume L. FigureS9: SFG spectra of zwitterionic
 surfaces, centered on the O-H stretch, ppp polarization combination a.
 FigureS9_SFG_ppp_water.csv 1\. Variables: sample name (units=none), liquid
 type (units=none), wavenumber (units=inverse centimeters), SFG intensity
 (units=arbitrary) 2\. Column names: sample, environment, wavenumber, SFG
 M. FigureS10: Water droplet contact angle of zwitterionic surfaces a.
 FigureS10_contact_angles.csv 1\. Variables: sample name (units=none),
 contact angle (units=degrees) 2\. Column names: sample, contact angle 2.
 Relationship between files, if important: N/A 3. Additional related data
 collected that was not included in the current data package: N/A 4. Are
 there multiple versions of the dataset? no 5. Experimental context of each
 technique: 1. Sum frequency generation (SFG) measures the quantity of
 oriented molecules at an interface. In this work, it is used to measure
 surface hydration and protein fouling. The OH stretch region informs about
 hydration state, while the amide region informs about protein adhesion.
 Measurements were also taken in salt water to evaluate the effect of
 charge screening on surface hydration. 2. Ulva linza assays measure the
 adhesion and removal of algae spores to the polymer surfaces, which is a
 performance metric for marine antifouling coatings. Ideal coatings should
 have low spore settlement and high biomass removal. 3. Gel permeation
 chromatography (GPC) and nuclear magnetic resonance (NMR) are used for
 characterizing the synthesized polymers. GPC is used to measure molecular
 weight of each polymer block. NMR is used to measure the level of
 sidechain functionalization and the efficiency of each step. 4. Water
 contact angles measure the hydrophilicity of the polymer surfaces, which
 is a secondary metric for the amount of water bound to the different
 zwitterion types. These measurements were taken using a drop of fresh
 water on a flat surface in air. Larger angles correspond to more
 hydrophilic coatings. METHODOLOGICAL INFORMATION 1. Description of methods
 used for collection/generation of data: See published main text.
 2. Methods for
 processing the data: N/A 3. Instrument- or software-specific information
 needed to interpret the data: N/A 4. Standards and calibration
 information, if appropriate: N/A 5. Environmental/experimental conditions:
 N/A 6. Describe any quality-assurance procedures performed on the data:
 N/A 7. People involved with sample collection, processing, analysis and/or
 submission: Shawn Mengel, Wen Guo, Guangyao Wu, John A. Finlay, Peter
 Allen, Anthony S. Clare, Riddhiman Medhi