Fig. 3. Biofuel-driven supramolecular co-assembly. (A) Fluorescence, (B) partial 1H NMR (400 MHz, 298 K, and 2.0 mM of 1 in D2O in the presence of 0–1.2 equiv. of ATP), (C) CD spectra and (D) DLS curve variations upon gradual addition of ATP (0–2.0 × 10−5 M) into the aqueous HEPES (2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanesulfonic acid) buffer of 1 (2.0 × 10−5 M). Inset of (A): the emission intensity changes at λ = 484 nm with the addition of ATP, ADP and AMP into 1, respectively. λex = 420 nm. Inset of (C): CD spectra of 1/ADP ([1] : [ADP] = 1 : 2) and 1/AMP ([1] : [AMP] = 1 : 4). Inset of (D): photographs of 1 and 1/ATP ([1] : [ATP] = 1 : 1) showing a Tyndall effect. SEM micrograph of 1/ATP ([1] : [ATP] = 1 : 1). Scale bar: 500 nm. (E) Side view and (F) top view of the structure of co-assembly 1/ATP obtained from MD simulations in the final snapshots. 1 moieties are depicted in colored thick sticks and ATP in black ball-sticks. The arrows indicate the direction of the helix. Zoomed image in (E) shows intermolecular hydrogen bonding between 1 and ATP as red dashed lines. (G) MD simulation of the 1/ATP tetramer showing intermolecular π–π interactions.
