Polyethylene Glycol 20k. Does It Fluoresce?

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dc.contributor.authorLaatsch, Bethany F.en
dc.contributor.authorBrandt, Michaelen
dc.contributor.authorFinke, Briannaen
dc.contributor.authorFossum, Carl J.en
dc.contributor.authorWackett, Miles J.en
dc.contributor.authorLowater, Harrison R.en
dc.contributor.authorNarkiewicz-Jodko, Alexen
dc.contributor.authorLe, Christine N.en
dc.contributor.authorYang, Thaoen
dc.contributor.authorGlogowski, Elizabeth M.en
dc.contributor.authorBailey-Hartsel, Scott C.en
dc.contributor.authorBhattacharyya, Sudeepen
dc.contributor.authorHati, Sanchitaen
dc.date.accessioned2023-09-07T19:05:04Zen
dc.date.available2023-09-07T19:05:04Zen
dc.date.issued2023-04en
dc.description.abstractPolyethylene glycol (PEG) is a polyether compound commonly used in biological research and medicine because it is biologically inert. This simple polymer exists in variable chain lengths (and molecular weights). As they are devoid of any contiguous pi-system, PEGs are expected to lack fluorescence properties. However, recent studies suggested the occurrence of fluorescence properties in non-traditional fluorophores like PEGs. Herein, a thorough investigation has been conducted to explore if PEG 20k fluoresces. Results of this combined experimental and computational study suggested that although PEG 20k could exhibit "through-space" delocalization of lone pairs of electrons in aggregates/clusters, formed via intermolecular and intramolecular interactions, the actual contributor of fluorescence between 300 and 400 nm is the stabilizer molecule, i.e., 3-tert-butyl-4-hydroxyanisole present in the commercially available PEG 20k. Therefore, the reported fluorescence properties of PEG should be taken with a grain of salt, warranting further investigation.en
dc.description.notesThis work was supported in part by the National Institute of Health [grant no R15 GM117510-02 (S.H. and S.B.). The computational resources of the study were provided by the Blugold Center for High-Performance Computing under NSF grant CNS 1920220.en
dc.description.sponsorshipNational Institute of Health [R15 GM117510-02]; Blugold Center for High-Performance Computing under NSF grant [CNS 1920220]en
dc.description.versionPublished versionen
dc.format.mimetypeapplication/pdfen
dc.identifier.doihttps://doi.org/10.1021/acsomega.3c01124en
dc.identifier.issn2470-1343en
dc.identifier.issue15en
dc.identifier.pmid37180871en
dc.identifier.urihttp://hdl.handle.net/10919/116239en
dc.identifier.volume8en
dc.language.isoenen
dc.publisherAmerican Chemical Societyen
dc.rightsCreative Commons Attribution 4.0 Internationalen
dc.rights.urihttp://creativecommons.org/licenses/by/4.0/en
dc.subjectdensity-functional theoryen
dc.subjectmolecular-dynamicsen
dc.subjectthermochemistryen
dc.subjectsimulationen
dc.subjectkineticsen
dc.subjectcharmmen
dc.subjectenergyen
dc.subjectm06en
dc.titlePolyethylene Glycol 20k. Does It Fluoresce?en
dc.title.serialAcs Omegaen
dc.typeArticle - Refereeden
dc.type.dcmitypeTexten

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