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

Steven D. Schwartz

doi:10.1016/0009-2614(91)80132-H

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

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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.

Original language	English (US)
Pages (from-to)	16-22
Number of pages	7
Journal	Chemical Physics Letters
Volume	185
Issue number	1-2
DOIs	https://doi.org/10.1016/0009-2614(91)80132-H
State	Published - Oct 11 1991
Externally published	Yes

ASJC Scopus subject areas

General Physics and Astronomy
Physical and Theoretical Chemistry

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10.1016/0009-2614(91)80132-H

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

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.",

author = "Schwartz, {Steven D.}",

note = "Funding Information: SDS acknowledges the donors of The Petroleum Research Fund administered by The American Chemical Society for partial support of this work. It is a pleasure to thank Joel Friedman for many stimulating discussions regarding the biophysics of hemoglobin ligand interactions.",

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AU - Schwartz, Steven D.

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Y1 - 1991/10/11

N2 - 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.

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

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