AI Article Synopsis

  • * It was found that specific ionic liquids could enhance the enzymatic breakdown of PET since they can partially dissolve it.
  • * Among the ionic liquids tested, cholinium phosphate had the least impact on the structure of PETase and demonstrated similar interaction with BHET as pure water, making it a good candidate for future studies.

Article Abstract

The effect of aqueous solutions of selected ionic liquids solutions on PETase with bis(2-hydroxyethyl) terephthalate (BHET) substrate were studied by means of molecular dynamics simulations in order to identify the possible effect of ionic liquids on the structure and dynamics of enzymatic Polyethylene terephthalate (PET) hydrolysis. The use of specific ionic liquids can potentially enhance the enzymatic hydrolyses of PET where these ionic liquids are known to partially dissolve PET. The aqueous solution of cholinium phosphate were found to have the smallest effect of the structure of PETase, and its interaction with (BHET) as substrate was comparable to that with the pure water. Thus, the cholinium phosphate was identified as possible candidate as ionic liquid co-solvent to study the enzymatic hydrolyses of PET.

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http://www.ncbi.nlm.nih.gov/pmc/articles/PMC8746539PMC
http://dx.doi.org/10.3390/molecules27010119DOI Listing

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