DIRECT MEASUREMENTS OF INTERMOLECULAR INTERACTIONS

Perturbation analyses of intermolecular interactions.

Conformational fluctuations of a protein molecule are important to its function, and it is known that environmental molecules, such as water molecules, ions, and ligand molecules, significantly affect the function by changing the conformational fluctuations. However, it is difficult to systematically understand the role of environmental molecules because intermolecular interactions related to t...

Direct measurements of interactions between polypeptides and carbon nanotubes.

The interactions of various polypeptides with individual carbon nanotubes (CNTs), both multiwall (MW) and single wall (SW), were investigated by atomic force microscopy (AFM). While adhesion forces arising from electrostatic attraction interactions between the protonated amine groups of polylysine and carboxylic groups on the acid-oxidized multi-wall carbon nanotubes (Ox-MWCNTs) dominate the in...

Diffusion measurements free of motion artifacts using intermolecular dipole-dipole interactions.

Diffusion encoding, or diffusion weighting, is commonly achieved by applying a pair of balanced pulsed-field gradients during spin evolution. An alternative way to obtain diffusion measurements is to select dipolar correlation distances using the distant dipolar field (DDF) in systems with abundant spin density, such as water in tissues. Diffusion weighting using this effect is unique in that t...

Dilution Effects in a Spin Crossover System, Modelled in Terms of Direct and Indirect Intermolecular Interactions

We have studied by ~7Fe Môssbauer spectroscopy and magnetic measurements trie spin transition exhibited by the series: [Fe~coi-~ (4,4'-bis-1,2,4-triazole)2 (NCS)2].H20, consisting of a spin-crossover iroil(II) system diluted in a high-spin cobalt(II) matrix. We performed Monte Carlo simulations of the thermal variation of the high-spin fraction, using a two-level Ising-type Hamiltonian. A good ...

Computation of Electronic and Intermolecular Interactions