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Equilibrium of conformers in solution: spin‐labelled angiotensin
Author(s) -
Vesterman B.,
Sekacis I.,
Bētiņš J.,
Podiņš L.,
Nikiforovich G.V.
Publication year - 1985
Publication title -
febs letters
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.593
H-Index - 257
eISSN - 1873-3468
pISSN - 0014-5793
DOI - 10.1016/0014-5793(85)80057-0
Subject(s) - conformational isomerism , aqueous solution , monte carlo method , relaxation (psychology) , chemistry , molecule , spectroscopy , spin (aerodynamics) , computational chemistry , analytical chemistry (journal) , thermodynamics , physics , chromatography , organic chemistry , mathematics , quantum mechanics , psychology , social psychology , statistics
The number of structural parameters were determined for spin‐labelled angiotensin in aqueous solution with the use of fluorescence spectroscopy and 1 H NMR relaxation induced by the spin label. At the same time all measured parameters were estimated theoretically by means of energy calculations and Monte‐Carlo techniques. The matching procedure for experimental and computational data allows one to suggest a dynamic equilibrium between conformers of the molecule in aqueous solution and to estimate the values of their weights.