Mass spectrometry and Monte Carlo Method mapping of nanoparticle ligand shell morphology

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dc.contributor.authorLuo, Zen_AU
dc.contributor.authorShao, YFen_AU
dc.contributor.authorDarwish, TAen_AU
dc.contributor.authorWang, Yen_AU
dc.contributor.authorHou, Jen_AU
dc.contributor.authorStellacci, Fen_AU
dc.date.accessioned2021-01-11T03:12:11Zen_AU
dc.date.available2021-01-11T03:12:11Zen_AU
dc.date.issued2018-10-26en_AU
dc.date.statistics2021-01-08en_AU
dc.description.abstractJanus, patchy, stripe-like, or random arrangements of molecules within the ligand shell of nanoparticles affect many properties. Among all existing ligand shell morphology characterization methods, the one based on mass spectroscopy is arguably the simplest. Its greatest limitation is that the results are qualitative. Here, we use a tailor-made Monte Carlo type program that fits the whole MALDI spectrum and generates a 3D model of the ligand shell. Quantitative description of the ligand shell in terms of nearest neighbor distribution and characteristic length scale can be readily extracted by the model, and are compared with the results of other characterization methods. A parameter related to the intermolecular interaction is extracted when this method is combined with NMR. This approach could become the routine method to characterize the ligand shell morphology of many nanoparticles and we provide an open access program to facilitate its use. © The Authors - Creative Commons Attribution 4.0en_AU
dc.identifier.articlenumber4478en_AU
dc.identifier.citationLuo, Z., Zhao, Y., Darwish, T., Wang, Y., Hou, J., & Stellacci, F. (2018). Mass spectrometry and Monte Carlo method mapping of nanoparticle ligand shell morphology. Nature Communications, 9(1), 4478. doi:10.1038/s41467-018-06939-yen_AU
dc.identifier.issn2041-1723en_AU
dc.identifier.issue1en_AU
dc.identifier.journaltitleNature Communicationsen_AU
dc.identifier.urihttps://doi.org/10.1038/s41467-018-06939-yen_AU
dc.identifier.urihttps://apo.ansto.gov.au/dspace/handle/10238/10233en_AU
dc.identifier.volume9en_AU
dc.language.isoenen_AU
dc.publisherSpringer Natureen_AU
dc.subjectLigandsen_AU
dc.subjectNanoparticlesen_AU
dc.subjectDrugsen_AU
dc.subjectMass spectroscopyen_AU
dc.subjectMonte Carlo Methoden_AU
dc.subjectIntermolecular forcesen_AU
dc.titleMass spectrometry and Monte Carlo Method mapping of nanoparticle ligand shell morphologyen_AU
dc.typeJournal Articleen_AU
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