Figure 1.
(A) ISIS neutron scattering data for a 0.5 M solution of NALA in D2O (triangles) and the simulated contributions from water–water, water–solute, and intramolecular scattering (squares). The data is in units of barns/steradian per solute molecule. (B) The experimental signal caused by solute–solute correlations, Icorrelated(Q), that is obtained by subtracting the two curves in A. (C) Simulations of excess scattering intensity for a single NALA in water (squares), a single 6.2-Å Lennard-Jones sphere in water (triangles), and a single 8.8-Å Lennard-Jones sphere in water. This comparison allows us to estimate that a single NALA in water corresponds roughly to a 6.0- to 6.5-Å sphere.