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001-es BibID:	BIBFORM006210
Első szerző:	Micskei Károly (vegyész)
Cím:	Oscillatory symmetry breaking in the Soai reaction / Micskei, K., Rabai, G., Gal, E., Caglioti, L., Palyi, G.
Dátum:	2008
Megjegyzések:	A kinetic model of spontaneous amplification of enantiomeric excess in the autocatalytic addition of diisopropylzinc to prochiral pyrimidine carbaldehydes is extended by a negative feedback process. Simulations based on the extended model result in large-amplitude oscillations both in a continuous-flow stirred tank reactor (CSTR) and in a semibatch configuration under optimized initial conditions. When sustained oscillations are maintained in a CSTR, no enantiomeric product distribution could be observed in the calculated series; the system keeps its initial enantiomeric ratio endlessly. During damped oscillations, or steady-state conditions, however, chiral amplification from a very small initial enantiomeric excess to more than 99% occurs in a semibatch configuration. Calculations indicated spontaneous enantiomeric product enrichment (i.e., accumulation of one of the enantiomers at the cost of the other one) from strictly achiral starting conditions in a semibatch configuration due to the inherent numerical error of the integrator method, which can be regarded as a model of the statistical fluctuation in the numbers of enantiomeric molecules.
Tárgyszavak:	Természettudományok Kémiai tudományok idegen nyelvű folyóiratközlemény külföldi lapban
Megjelenés:	The Journal of Physical Chemistry. B. - 112 : 30 (2008), p. 9196-9200. -
További szerzők:	Rábai Gyula (1949-) (vegyész, kémikus) Gál Emese Caglioti, Luciano Pályi Gyula
Internet cím:	DOI elektronikus változat
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