Fig. 3: Nanoformulation and molecular dynamics analysis. | Nature Communications

Fig. 3: Nanoformulation and molecular dynamics analysis.

From: Nano-anticoagulant based on carrier-free low molecular weight heparin and octadecylamine with an albumin shuttling effect

Fig. 3

a MD simulation of self-assembled LMHO with a core hydrophobic octadecylamine residue in the implicit (distance-dependent dielectric) solvent model between 0 and 500 ps. b Total van der Waals energy and the number of H bonds calculated in MD simulations of LMHO. Particle size distribution (c) zeta potential (d) e, f representative transmission electron microscopy (TEM) image and field emission scanning electron microscopy (FE-SEM) image (n = 3 independent experiments) of LMHO nanoparticles. Fluorescence changes (arbitrary units, Arb. u.), (n = 3 independent experiments) (g) and 1H-NMR results with octadecylamine peak (yellow shading) (h) according to the disintegration of LMHO nanoparticles by organic solvent (DMSO). i Stability of LMHO nanoparticles over time (up to 72 h) under various solvent conditions (n = 3 independent samples). j The cytotoxic effect on HDFa normal cells was evaluated within the concentration range of 0.01–100 µg/mL for 24 h (n = 6 samples for 3 independent experiments). Data are presented as the mean values ± SD. Source data are provided as a Source Data file.

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