title: A plausible prebiotic synthesis of pyridoxal phosphate: vitamin B6 - a computational study.
abstract: 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.
authors.affiliation: School of Physical and Chemical Sciences, Queensland University of Technology, George St, Brisbane, Queensland 4000, Australia. n.aylward@student.qut.edu.au
authors.forename: Nigel
authors.initials: N
authors.lastname: Aylward
authors.forename: Neville
authors.initials: N
authors.lastname: Bofinger
mesh_terms: D000114:Acetylene / Q000031:analogs & derivatives / Q000737:chemistry; D002248:Carbon Monoxide / Q000737:chemistry; D003198:Computer Simulation; D019418:Evolution, Chemical; D006859:Hydrogen / Q000737:chemistry; D008956:Models, Chemical; D015394:Molecular Structure; D009570:Nitriles / Q000737:chemistry; D010756:Phosphoric Acids / Q000737:chemistry; D011732:Pyridoxal Phosphate / Q000138:chemical synthesis* / Q000737:chemistry; D013816:Thermodynamics; D025101:Vitamin B 6 / Q000138:chemical synthesis* / Q000737:chemistry; D014867:Water / Q000737:chemistry
chemical_list: D009570:Nitriles; D010756:Phosphoric Acids; C513097:cyanoacetylene; D014867:Water; D011732:Pyridoxal Phosphate; D002248:Carbon Monoxide; D006859:Hydrogen; D025101:Vitamin B 6; C030242:phosphoric acid; D000114:Acetylene