Fig. 4
From: Water-mediated NOE: a promising tool for interrogating interfacial clay–xenobiotic interactions
A numerical simulation of the NOE water–clay build-up rate (σ wc) as a function of both separation distance (r) and residence time (τ r). This simulation illustrates that the sign of the NOE build-up rate depends on how long the molecules stay on the clay surface. In addition, NOE build-up occurs only within a separation distance of ≈2 Å, which is far less than the typical 5 Å range for NOE. The crossover point in which the build-up rate becomes negative is ~2 ns