A Markov model for relaxation and exchange in NMR spectroscopy

Article Abstract:

A two-state Markov noise process for lattice fluctuations and chemical exchange dynamics is used to derive a stochastic Liouville equation describing the evolution of the spin-density operator in nuclear magnetic resonance spectroscopy. The conclusion obtained from this derivation is that time-scale separation is a requirement imposed by the lowest-order perturbation expansion of the average resolvent in the Laplace domain.

Markov processes, Laplace transformation

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Dielectric studies of water clusters in cyclodextrins: Relevance to the transition between slow and fast forms of thrombin

Article Abstract:

A demonstration that [beta]-CD exhibits substantial structural flexibility and proton mobility compared with [alpha]-CD which is relatively very rigid and exhibits negligible short-range protonic conduction is presented. These properties are directly controlled by the effective dielectric constant of the molecule, which is determined by the rotational freedom of water molecules in the hydrogen bond network.

Observations, Electric properties, Hydrogen bonding, Hydrogen bonds, Thrombin

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Determination of microscopic equilibrium constants for the complexation of ditopic guests by cyclodextrins from NMR experiments

Article Abstract:

The complexation of 3-[(3-cholamidopropyl)dimethylammonia]-1-propanesulfonate (CHAPS) by beta and gamma-cyclodextrin is investigated by using 1D and 2D-NMR techniques. The value for the equilibrium formation constant is obtained from the analysis of the chemical shift displacements of carbon atoms of gamma-CD with increasing CHAPS concentration.

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