A1 Journal article (refereed)
Unraveling the Stoichiometric Interactions and Synergism between Ligand-Protected Gold Nanoparticles and Proteins (2025)
Zhang, B., Matus, M. F., Yao, Q., Song, X., Wu, Z., Hu, W., Häkkinen, H., & Xie, J. (2025). Unraveling the Stoichiometric Interactions and Synergism between Ligand-Protected Gold Nanoparticles and Proteins. Journal of the American Chemical Society, Early online. https://doi.org/10.1021/jacs.4c09879
JYU authors or editors
Publication details
All authors or editors: Zhang, Bihan; Matus, María Francisca; Yao, Qiaofeng; Song, Xiaorong; Wu, Zhennan; Hu, Wenping; Häkkinen, Hannu; Xie, Jianping
Journal or series: Journal of the American Chemical Society
ISSN: 0002-7863
eISSN: 1520-5126
Publication year: 2025
Publication date: 17/01/2025
Volume: Early online
Publisher: American Chemical Society
Publication country: United States
Publication language: English
DOI: https://doi.org/10.1021/jacs.4c09879
Publication open access: Not open
Publication channel open access:
Publication is parallel published (JYX): https://jyx.jyu.fi/handle/123456789/99645
Abstract
Nanomaterials that engage in well-defined and tunable interactions with proteins are pivotal for the development of advanced applications. Achieving a precise molecular-level understanding of nano-bio interactions is essential for establishing these interactions. However, such an understanding remains challenging and elusive. Here, we identified stoichiometric interactions of water-soluble gold nanoparticles (Au NPs) with bovine serum albumin (BSA), unraveling their synergism in manipulating emission of nano-bio conjugates in the second near-infrared (NIR-II) regime. Using Au25(p-MBS)18 (p-MBS = para-mercaptobenzenesulfonic acid) as paradigm particles, we achieved precise binding of Au NPs to BSA with definitive molar ratios of 1:1 and 2:1, which is unambiguously evidenced by high-resolution mass spectrometry and transmission electron microscopy. Molecular dynamics simulations identified well-defined binding sites, mediated by electrostatic interactions and hydrogen bonds between the p-MBS moieties on the Au25(p-MBS)18 surface and BSA. Particularly, positively charged residues on BSA were found to be pivotal. By careful control of the molar ratio of Au25(p-MBS)18 to BSA, atomically precise [Au25(p-MBS)18]x–BSA conjugates (x = 1 or 2) could be formed. Through a comprehensive spectroscopy study, an electron transfer process and synergistic effect were manifested in the Au25(p-MBS)18–BSA conjugates, leading to drastically enhanced emission in the NIR-II window. This work offers insights into the precise engineering of nanomaterial–protein interactions and opens new avenues for the development of next-generation nano-bio conjugates for nanotheranostics.
Keywords: nanoparticles; nanomaterials; proteins; gold; ligands
Free keywords: nanoparticles; bovine serum albumin; conjugates; protein–nanomaterial; interactions; NIR-II emission; charge transfer; conjugate acid-base pairs; gold; ligands; screening assays
Contributing organizations
Ministry reporting: Yes
VIRTA submission year: 2025
Preliminary JUFO rating: 3