Ionic hydrogen bonds in bioenergetics. 4. Interaction energies of acetylcholine with aromatic and polar molecules

CA Deakyne, M Meot-Ner

文献索引：Deakyne, Carol A.; Meot-Ner, Michael Journal of the American Chemical Society, 1999 , vol. 121, # 7 p. 1546 - 1557

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被引用次数: 35

摘要

The binding energies of the quaternary ions (CH3) 4N+ and acetylcholine (ACh) to neutral molecules have been measured by pulsed high-pressure mass spectrometry and calculated ab initio, to model interactions in the acetylcholine receptor channel. Binding energies to C6H6 and C6H5CH3 are similar to those to H2O (33-42 kJ/mol (8-10 kcal/mol)), but are weaker than those to polar organic ligands such as CH3CO2CH3 (50-63 kJ/mol (12-15 ...