Generation and Characterization of a Library of Novel Biologically Active Functional Surfactants (Surfmers) Using Combined High-Throughput Methods

ACS Appl Mater Interfaces. 2021 Sep 15;13(36):43290-43300. doi: 10.1021/acsami.1c08662. Epub 2021 Aug 31.

Abstract

We report the first successful combination of three distinct high-throughput techniques to deliver the accelerated design, synthesis, and property screening of a library of novel, bio-instructive, polymeric, comb-graft surfactants. These three-dimensional, surface-active materials were successfully used to control the surface properties of particles by forming a unimolecular deep layer on the surface of the particles via microfluidic processing. This strategy deliberately utilizes the surfactant to both create the stable particles and deliver a desired cell-instructive behavior. Therefore, these specifically designed, highly functional surfactants are critical to promoting a desired cell response. This library contained surfactants constructed from 20 molecularly distinct (meth)acrylic monomers, which had been pre-identified by HT screening to exhibit specific, varied, and desirable bacterial biofilm inhibitory responses. The surfactant's self-assembly properties in water were assessed by developing a novel, fully automated, HT method to determine the critical aggregation concentration. These values were used as the input data to a computational-based evaluation of the key molecular descriptors that dictated aggregation behavior. Thus, this combination of HT techniques facilitated the rapid design, generation, and evaluation of further novel, highly functional, cell-instructive surfaces by application of designed surfactants possessing complex molecular architectures.

Keywords: CAC; critical aggregation concentration; high throughput; polymerization; surfactant.

MeSH terms

  • High-Throughput Screening Assays
  • Machine Learning
  • Methacrylates / chemical synthesis
  • Methacrylates / chemistry*
  • Micelles
  • Models, Chemical
  • Phase Transition
  • Polyethylene Glycols / chemical synthesis
  • Polyethylene Glycols / chemistry*
  • Polymerization
  • Small Molecule Libraries / chemical synthesis
  • Small Molecule Libraries / chemistry*
  • Surface-Active Agents / chemical synthesis
  • Surface-Active Agents / chemistry*

Substances

  • Methacrylates
  • Micelles
  • Small Molecule Libraries
  • Surface-Active Agents
  • polyethylene glycol methacrylate
  • Polyethylene Glycols