Activation energies and formation rate constants for organic arsenical-antidote adducts as determined by dynamic NMR spectroscopy.

  title={Activation energies and formation rate constants for organic arsenical-antidote adducts as determined by dynamic NMR spectroscopy.},
  author={Kilian Dill and L H Huang and Daniel W. Bearden and E. L. Mcgown and R. J. O'connor},
  journal={Chemical research in toxicology},
  volume={4 3},
Phenyldichloroarsine reacts with 1,3-dimercapto-2-propanol and 1,2-dimercaptopropane to form 1:1 adducts in the form of a six-membered and five-membered heteroatom rings. Two geometric isomers for each compound are present in dynamic equilibrium. Rate constants and the activation barriers for the interconversion of the geometric isomers were determined by dynamic NMR spectroscopy. The activation barriers indicate that the five-membered heteroatom ring is more stable than the six-membered… Expand
6 Citations
Theoretical study of arsenical-antidote adducts.
Structures, stabilities, and physical parameters for arsenical-antidote adducts in the gas phase were determined using semiempirical self consistent field (CNDO) calculations. In this work,Expand
Interaction of Arsenous Acid with the Dithiol-Type Chelator British Anti-Lewisite (BAL): Structure and Stability of Species Formed in an Unexpectedly Complex System.
The present study on the interaction of arsenous acid (H3AsO3) with BAL, involving UV and NMR titrations, electrospray ionization mass spectrometry, and 2D NMR experiments combined with MP2 calculations, demonstrates that the reaction of H3As O3 with BAL at pH = 7.0 results in a more complex speciation than was assumed before. Expand
Single-molecule analysis of chirality in a multicomponent reaction network.
The nanoreactor approach is used to study the substitution reactions of arsenic(III) compounds with thiols, stretching the limits of the protein pore technology to track the interconversion of seven reaction components in a network that comprises interconnected Walden cycles. Expand
Chemistry of Chelation: Chelating Agent Antagonists for Toxic Metals
The chemistry of chelation is involved in some very important aspects of the toxicology of metals. The first is that toxic metals exert many of their adverse biological effects by forming metalExpand
Theoretical NMR study of the chemical exchange of amide protons of proteins
SummaryA model is proposed to evaluate the rate of exchange between the amide protons of proteins and the solvent water molecules. Using this model we determined the extent of the error for theExpand