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https://hdl.handle.net/2440/62834
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dc.contributor.author | Knowles, D. | - |
dc.contributor.author | Wang, T. | - |
dc.contributor.author | Bowie, J. | - |
dc.date.issued | 2010 | - |
dc.identifier.citation | Organic and Biomolecular Chemistry, 2010; 8(21):4934-4939 | - |
dc.identifier.issn | 1477-0520 | - |
dc.identifier.issn | 1477-0539 | - |
dc.identifier.uri | http://hdl.handle.net/2440/62834 | - |
dc.description.abstract | It is proposed that the glycine precursor NH(2)CH(2)CN may be synthesised in interstellar dust clouds by the radical combination reactions NH(2)˙ + ˙CH(2)CN → NH(2)CH(2)CN (ΔG = -302 kJ mol(-1)) and/or NH(2)CH(2)˙ + ˙CN → NH(2)CH(2)CN (ΔG = -414 kJ mol(-1)). All calculations at the CCSD(T)/aug-cc-pVDZ//B3LYP/6-31+G(d) level of theory. This paper extends that concept to radical/radical coupling reactions to form Ser, Cys and Asp precursor nitriles. The hydrogen abstraction process NH(2)CH(2)CN + HO˙→ NH(2)˙CHCN + H(2)O (ΔG = -130 kJ mol(-1)) is suggested to precede the radical coupling reactions NH(2)˙CHCN + R˙→ NH(2)CHRCN (R˙ = ˙CH(2)OH, ˙CH(2)SH and ˙CH(2)CN) to form nitrile precursors of the amino acids Ser, Cys and Asp. These three reactions are all favourable (ΔG = -240, -227 and -223 kJ mol(-1)). The radical species ˙CH(2)NH(2), ˙CH(2)OH, ˙CH(2)SH and ˙CH(2)CN are shown to be stable for the microsecond timeframe by a combination of theoretical calculations and the experimental mass spectrometric neutralization/reionization procedure. | - |
dc.description.statementofresponsibility | Daniel J. Knowles, Tianfang Wang and John H. Bowie | - |
dc.language.iso | en | - |
dc.publisher | Royal Soc Chemistry | - |
dc.rights | © The Royal Society of Chemistry 2010 | - |
dc.source.uri | http://dx.doi.org/10.1039/c0ob00232a | - |
dc.subject | Nitriles | - |
dc.subject | Cysteine | - |
dc.subject | Aspartic Acid | - |
dc.subject | Serine | - |
dc.subject | Thermodynamics | - |
dc.title | Radical formation of amino acid precursors in interstellar regions? Ser, Cys and Asp | - |
dc.type | Journal article | - |
dc.identifier.doi | 10.1039/c0ob00232a | - |
dc.relation.grant | ARC | - |
pubs.publication-status | Published | - |
Appears in Collections: | Aurora harvest Chemistry and Physics publications |
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