[PDF][PDF] A Computational Study of a Prebiotic Synthesis of D-Riboflavin (Vitamin B2)

N Aylward, BV ISLANDS - WSEAS Transactions on Biology and …, 2023 - wseas.com
Ab initio applied computing is used to determine the viability of a plausible mechanism for
the formation of riboflavin from planetary and interstellar gases that contain the necessary …

[PDF][PDF] A Computational Study of a Prebiotic Synthesis of Folic Acid (Vitamin B9)

N Aylward, BV ISLANDS - MOLECULAR SCIENCES AND …, 2023 - wseas.com
The planetary molecules cyanogen, cyanoacetylene, hydrogen cyanide, ammonia, and
carbon monoxide and hydrogen are invoked in a synthesis of the pteridine precursor of the …

A plausible prebiotic synthesis of pyridoxal phosphate: Vitamin B6–A computational study

N Aylward, N Bofinger - Biophysical chemistry, 2006 - Elsevier
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 …

[PDF][PDF] A Computational Study of a Prebiotic Synthesis of L-Threonine

N Aylward - WSEAS Transactions on Biology and Biomedicine, 2019 - wseas.com
The magnesium ion metalloporphyrin complex is shown to bind the ligands propyne nitrile
and propynimine in weak van der Waals complexes on the metal and nitrogen sites. Further …

[PDF][PDF] A prebiotic surface catalyzed photochemically activated synthesis of vitamin B12

N Aylward - WSEAS Transactions on biology and medicine, 2018 - wseas.com
The four stereospecific pyrroline derivatives present in the corrin structure of Vitamin B12
may be oligomerized to form a corrin structure or a porphin structure. The analogous porphin …

The synthesis of biological molecules in the universe

N Aylward - Proceedings of the international conference on …, 2009 - dl.acm.org
Theoretical chemistry is applied to describe in detail the formation of reactive intermediates
in a primeval atmosphere composed of hydrogen, carbon monoxide and ammonia that at a …

Theoretical exploration of the mechanism of riboflavin formation from 6, 7-dimethyl-8-ribityllumazine: nucleophilic catalysis, hydride transfer, hydrogen atom transfer, or …

M Breugst, A Eschenmoser… - Journal of the American …, 2013 - ACS Publications
The cofactor riboflavin is biochemically synthesized by a constitutionally intricate process in
which two molecules of 6, 7-dimethyl-8-ribityllumazine react with each other to form one …

A computational study of a prebiotic synthesis of L-histidine

N Aylward - Proceedings of the 15th WSEAS international …, 2011 - dl.acm.org
The magnesium ion metalloporphyrin complex is shown to bind the ligand diacetylene in a
weak van der Waals complex which may further react with carbodiimide, an isomer of …

[PDF][PDF] A Prebiotic Surface Catalyzed Photochemically Activated Synthesis of 5, 6-Dimethylbenzimidazole of Vitamin B12

N Aylward - International Journal of Biochemistry Research, 2018 - iaras.org
Alkynes such as but-2-ynimine and but-2-yne nitrile form weak charge-transfer complexes
with catalysts such as Mg. porphin centered on the Mg++ ion and a pyrrole nitrogen. With …

Computational methods in flavin research

L Ridder, H Zuilhof, J Vervoort, IMCM Rietjens - Flavoprotein Protocols, 1999 - Springer
With the continuously increasing power of computers, quantum chemistry is becoming a
valuable theoretical tool in enzyme research. Molecules as large as flavins can now be …