A density matrix formulation for potential scattering in an oscillating/controlled potential: a model for some biophysical systems

Research output: Contribution to journalArticle

Abstract

A mathematical model of control of reactivity in biomolecules is described. It is motivated by the extraordinary level of detail new experiments have brought to the understanding of the functioning of the hemoglobin molecule as it interacts with ligands. Experimental evidence has shown that these systems control their activity to ligands by modifying potentials seen by these ligands in response to environmental conditions. We have developed a simple microscopic model of this control mechanism. We employ a density operator formulation which allows computation of such quantities as rebound percentages, rebinding flux, and position distribution moments for rebinding wavepackets. For a specific model of the rebinding barrier we calculate explicit formulae for rebinding probability as a function of time.

Original languageEnglish (US)
Pages (from-to)16-22
Number of pages7
JournalChemical Physics Letters
Volume185
Issue number1-2
DOIs
StatePublished - Oct 11 1991
Externally publishedYes

Fingerprint

Scattering
Ligands
formulations
ligands
scattering
distribution moments
hemoglobin
Biomolecules
Mathematical operators
mathematical models
Hemoglobins
reactivity
Mathematical models
Fluxes
Control systems
operators
Molecules
molecules
Experiments

ASJC Scopus subject areas

  • Physical and Theoretical Chemistry
  • Spectroscopy
  • Condensed Matter Physics
  • Atomic and Molecular Physics, and Optics
  • Surfaces and Interfaces

Cite this

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abstract = "A mathematical model of control of reactivity in biomolecules is described. It is motivated by the extraordinary level of detail new experiments have brought to the understanding of the functioning of the hemoglobin molecule as it interacts with ligands. Experimental evidence has shown that these systems control their activity to ligands by modifying potentials seen by these ligands in response to environmental conditions. We have developed a simple microscopic model of this control mechanism. We employ a density operator formulation which allows computation of such quantities as rebound percentages, rebinding flux, and position distribution moments for rebinding wavepackets. For a specific model of the rebinding barrier we calculate explicit formulae for rebinding probability as a function of time.",
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