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Adopted models for PLs (DOPC and DOPS) and the NFS silica site. For DOPS, Na+ counterion is added to neutralize the structure. NFS cradle (at figure center) shows the deprotonated silanol tail and the strong inter-NFS hydrogen bond (dotted line). The energies of interactions (ΔE) between DOPS/DOPC and NFS are reported in unit of kJ mol−1. The van der Waals representations (bottom sides) highlight the most favorable dispersion interactions of DOPC with respect to DOPS.
