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dc.contributor.authorPyo, Kyunglim
dc.contributor.authorMatus, María Francisca
dc.contributor.authorHulkko, Eero
dc.contributor.authorMyllyperkiö, Pasi
dc.contributor.authorMalola, Sami
dc.contributor.authorKumpulainen, Tatu
dc.contributor.authorHäkkinen, Hannu
dc.contributor.authorPettersson, Mika
dc.date.accessioned2023-08-28T05:06:37Z
dc.date.available2023-08-28T05:06:37Z
dc.date.issued2023
dc.identifier.citationPyo, K., Matus, M. F., Hulkko, E., Myllyperkiö, P., Malola, S., Kumpulainen, T., Häkkinen, H., & Pettersson, M. (2023). Atomistic View of the Energy Transfer in a Fluorophore-Functionalized Gold Nanocluster. <i>Journal of the American Chemical Society</i>, <i>145</i>(27), 14697-14704. <a href="https://doi.org/10.1021/jacs.3c02292" target="_blank">https://doi.org/10.1021/jacs.3c02292</a>
dc.identifier.otherCONVID_183750111
dc.identifier.urihttps://jyx.jyu.fi/handle/123456789/88740
dc.description.abstractUnderstanding the dynamics of Förster resonance energy transfer (FRET) in fluorophore-functionalized nanomaterials is critical for developing and utilizing such materials in biomedical imaging and optical sensing applications. However, structural dynamics of noncovalently bound systems have a significant effect on the FRET properties affecting their applications in solutions. Here, we study the dynamics of the FRET in atomistic detail by disclosing the structural dynamics of the noncovalently bound azadioxotriangulenium dye (KU) and atomically precise gold nanocluster (Au25(p-MBA)18, p-MBA = para-mercaptobenzoic acid) with a combination of experimental and computational methods. Two distinct subpopulations involved in the energy transfer process between the KU dye and the Au25(p-MBA)18 nanoclusters were resolved by time-resolved fluorescence experiments. Molecular dynamics simulations revealed that KU is bound to the surface of Au25(p-MBA)18 by interacting with the p-MBA ligands as a monomer and as a π–π stacked dimer where the center-to-center distance of the monomers to Au25(p-MBA)18 is separated by ∼0.2 nm, thus explaining the experimental observations. The ratio of the observed energy transfer rates was in reasonably good agreement with the well-known 1/R6 distance dependence for FRET. This work discloses the structural dynamics of the noncovalently bound nanocluster-based system in water solution, providing new insight into the dynamics and energy transfer mechanism of the fluorophore-functionalized gold nanocluster at an atomistic level.en
dc.format.mimetypeapplication/pdf
dc.language.isoeng
dc.publisherAmerican Chemical Society (ACS)
dc.relation.ispartofseriesJournal of the American Chemical Society
dc.rightsCC BY 4.0
dc.subject.otherdyes and pigments
dc.subject.otherenergy transfer
dc.subject.otherfluorescence
dc.subject.othergold
dc.subject.othernanoclusters
dc.titleAtomistic View of the Energy Transfer in a Fluorophore-Functionalized Gold Nanocluster
dc.typearticle
dc.identifier.urnURN:NBN:fi:jyu-202308284780
dc.contributor.laitosKemian laitosfi
dc.contributor.laitosFysiikan laitosfi
dc.contributor.laitosDepartment of Chemistryen
dc.contributor.laitosDepartment of Physicsen
dc.contributor.oppiaineFysikaalinen kemiafi
dc.contributor.oppiaineNanoscience Centerfi
dc.contributor.oppiainePhysical Chemistryen
dc.contributor.oppiaineNanoscience Centeren
dc.type.urihttp://purl.org/eprint/type/JournalArticle
dc.type.coarhttp://purl.org/coar/resource_type/c_2df8fbb1
dc.description.reviewstatuspeerReviewed
dc.format.pagerange14697-14704
dc.relation.issn0002-7863
dc.relation.numberinseries27
dc.relation.volume145
dc.type.versionpublishedVersion
dc.rights.copyright© The Authors. Published by American Chemical Society
dc.rights.accesslevelopenAccessfi
dc.subject.ysokulta
dc.subject.ysoenergiansiirto
dc.subject.ysofluoresenssi
dc.format.contentfulltext
jyx.subject.urihttp://www.yso.fi/onto/yso/p19016
jyx.subject.urihttp://www.yso.fi/onto/yso/p20914
jyx.subject.urihttp://www.yso.fi/onto/yso/p3265
dc.rights.urlhttps://creativecommons.org/licenses/by/4.0/
dc.relation.doi10.1021/jacs.3c02292
jyx.fundinginformationThis work was supported by the Basic Science Research Program through the National Research Foundation of Korea (NRF) funded by the Ministry of Education (2021R1A6A3A03038668) and the postdoctoral program of the Nanoscience Center, funded by the Academy of Finland profiling grant. The computational work was supported by the Excellence Funding from the JYU rector and carried out at the Finnish national supercomputing center CSC.
dc.type.okmA1


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