Locating the nucleation sites for protein encapsulated gold nanoclusters : a molecular dynamics and fluorescence study
Russell, B. A. and Kubiak-Ossowska, K. and Mulheran, P. A. and Birch, D. J. S. and Chen, Y. (2015) Locating the nucleation sites for protein encapsulated gold nanoclusters : a molecular dynamics and fluorescence study. Physical Chemistry Chemical Physics, 17 (34). pp. 21935-21941. ISSN 1463-9084 (https://doi.org/10.1039/c5cp02380g)
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Abstract
Fluorescent gold nanoclusters encapsulated by proteins have attracted considerable attention in recent years for their unique properties as new fluorescence probes for biological sensing and imaging. However, fundamental questions, such as the nucleation sites of gold nanoclusters within proteins and the fluorescence mechanism remain unsolved. Here we present a study of the location of gold nanoclusters within bovine serum albumin (BSA) combining both fully atomistic molecular dynamic (MD) simulations and fluorescence spectroscopic studies. The MD simulations show gold clusters growing close to a number of cysteine sites across all three domains of BSA, although just two major sites in domains IIB and IA were found to accommodate large clusters comprising more than 12 atoms. The dependence of the fluorescence on pH is found to be compatible with possible nucleation sites in domains IIB and IA. Furthermore, the energy transfer between tryptophan and gold nanoclusters reveals a separation of 29.7 Å, further indicating that gold nanoclusters were most likely located in the major nucleation site in domain IIB. The disclosure of the precise location of the gold nanoclusters and their surrounding amino acid residues should help better understanding of their fluorescence mechanism and aid their optimization as fluorescent nanoprobes.
ORCID iDs
Russell, B. A. ORCID: https://orcid.org/0000-0002-8740-6040, Kubiak-Ossowska, K., Mulheran, P. A. ORCID: https://orcid.org/0000-0002-9469-8010, Birch, D. J. S. ORCID: https://orcid.org/0000-0001-6400-1270 and Chen, Y.;-
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Item type: Article ID code: 54237 Dates: DateEvent22 July 2015Published22 July 2015AcceptedSubjects: Science > Chemistry > Physical and theoretical chemistry
Science > PhysicsDepartment: University of Strathclyde > University of Strathclyde
Faculty of Science > Physics
Faculty of Engineering > Chemical and Process Engineering
Technology and Innovation Centre > BionanotechnologyDepositing user: Pure Administrator Date deposited: 09 Sep 2015 11:15 Last modified: 11 Sep 2024 00:40 Related URLs: URI: https://strathprints.strath.ac.uk/id/eprint/54237