A plausible prebiotic synthesis of pyridoxal phosphate: vitamin B6 - a computational study

A set of chemical reactions is proposed to account for the formation of pyridoxal phosphate, Vitamin B6, from a primeval atmosphere composed of cyanoacetylene, diacetylene, carbon monoxide, hydrogen, water, and a phosphoric acid. The reactions have been shown to be feasible from the overall enthalpy...

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Bibliographic Details
Published in:Biophysical chemistry 2006-09, Vol.123 (2-3), p.113-121
Main Authors: Aylward, Nigel, Bofinger, Neville
Format: Article
Language:English
Subjects:
Acetylene - analogs & derivatives
Acetylene - chemistry
Carbon Monoxide - chemistry
Computer Simulation
Evolution, Chemical
Hydrogen - chemistry
Models, Chemical
Molecular Structure
Nitriles - chemistry
Phosphoric Acids - chemistry
Pyridoxal Phosphate - chemical synthesis
Pyridoxal Phosphate - chemistry
Thermodynamics
Vitamin B 6 - chemical synthesis
Vitamin B 6 - chemistry
Water - chemistry
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Summary:A set of chemical reactions is proposed to account for the formation of pyridoxal phosphate, Vitamin B6, from a primeval atmosphere composed of cyanoacetylene, diacetylene, carbon monoxide, hydrogen, water, and a phosphoric acid. The reactions have been shown to be feasible from the overall enthalpy changes in the ZKE approximation at the HF and MP2/6-31G* level.
ISSN:0301-4622
DOI:10.1016/j.bpc.2006.04.014