Non-Boltzmann rate distributions in stochastically gated reactions
Article Abstract:
A new mechanism for binding selectivity arising from conformational gating in acetylcholinesterase (AChe)(super 4) is reported. The rates of the gated reactions are studied if they obey the Boltzmann distribution characteristic of the underlying gate fluctuations. The system is considered as a reactive screen screened from an initial distribution of substrates by a gate to answer the question. The results show that the ratio of rates for a stochastically gated diffusion-influenced reaction cannot be simply connected to the Boltzmann distribution of the gate.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 1999
User Contributions:
Comment about this article or add new information about this topic:
Theoretical studies of the electrocyclic reaction mechanisms of hexatriene to cyclohexadiene
Article Abstract:
Ab initio molecular orbital methods were used in calculating the potential energy surfaces for electrocyclic reactions of hexa-1,3,5-triene. The transition states of two electrocyclic reaction pathways, namely conrotatory and disrotatory, for hexa-1,3,5-triene were obtained. Both transition states were a true transition state. The transition state of the disrotatory pathway was about 11 kcal/mol lower in energy than that of the conrotatory pathway.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 1999
User Contributions:
Comment about this article or add new information about this topic:
- Abstracts: Negative differential resistance in electrochemically self-assembled layered nanostructures. Free-energy-driven transfer of charge in dense electrochemically active monomolecular films
- Abstracts: Free radical motion in super critical fluids probed by EPR spectroscopy. High dielectric hyperbalanced polyaniline materials
- Abstracts: Chemical vapor deposition of zinc in zeolite HY. Particle distribution in a microporous material
- Abstracts: Relative retention in supercritical fluid chromatography as a source of partial molar properties. Cluster ion thermodynamic properties: the liquid drop model revisited
- Abstracts: Segregation of chain ends is a weak contributor to increased mobility at free polymer surfaces