Fig. 3 | Nature Communications

Fig. 3

From: Controlled synthesis of highly-branched plasmonic gold nanoparticles through peptoid engineering

Fig. 3

Predictable morphological evolution of gold nanomaterials induced by peptoids. ad TEM images (scale bar, 50 nm for a, and 20 nm for bd) of gold nanomaterials induced by Pep-4 (a, b), Pep-5 (c), and Pep-6 (d). eg Representative structures of Pep-1 adsorbed at the aqueous Au(111) interface predicted from REST-MD simulations in which (e, f) are single chain, side and plan views and (g) is two-chain plan view indicating favorable inter-peptoid contacts. Color code: C, cyan; O, red; N, blue; Cl, green; the peptoid backbone is colored purple. Water molecules are not shown for clarity. h Average degree of peptoid-surface contact, on a residue-by-residue basis, predicted by REST-MD simulations for each of Pep-1, Pep-5, and Pep-6 adsorbed at the aqueous Au(111) interface. The side-chain residue numbers were enumerated from the N- to C-termini. i The adsorption free energy of both dichlorobenzene and benzene, as analogues of Ndc of Pep-1 and Nxpe (X = H) of Pep-5 respectively, at the aqueous Au(111) interface; The number of distinct thermally accessible conformations of Pep-1 and Pep-5 generated from a clustering analysis of surface-adsorbed Pep-1 and Pep-5 (Supplementary Methods and Supplementary Table 1). j, k The schemes showing two distinct, well-known metal-particle-aggregation trajectories, in which the slow aggregation and fast relaxation of metal NPs lead to the fusion and formation of dumbbell structures that then relax back to spherical shapes (k)35,36; when aggregation is rapid, but relaxation is slow, dendritic structures typical of diffusion-limited aggregation form (j)37,38. TEM images of gold nanomaterials (scale bar, 20 nm) induced by Pep-7 (l), Pep-8 (m), Pep-9 (n), and Pep-1 at pH 5.5 (o) in which the predictable evolution from gold spherical coral to spherical particles produced as peptoids move from high to low binding affinities

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