Mechanisms of generation of the rotational strengths in TEM-1 beta-lactamase. Part II: theoretical study of the effects of the electrostatic interactions in the near-UV - Archive ouverte HAL Accéder directement au contenu
Article Dans Une Revue Chemical Physics Letters Année : 2004

Mechanisms of generation of the rotational strengths in TEM-1 beta-lactamase. Part II: theoretical study of the effects of the electrostatic interactions in the near-UV

C Christov
  • Fonction : Auteur
A Kantardjiev
  • Fonction : Auteur
T Karabencheva
  • Fonction : Auteur
Frederik Tielens

Résumé

The influences of the electrostatic environment on the mechanisms of generation of rotational strengths in near-UV of beta-lactamase TEM-1 are studied in two aspects: the first is the effects of ionized tyrosine chromophores and the second - the effects of the changes of the excitation energies of the chromophores under the local electrostatic interactions. The mechanisms of generation of rotational strengths by tyrosinate chromophores are described. It is shown that both effects (tyrosine ionizations and Coulomb interactions) influence the mechanisms of rotational strengths and the relative contributions of the chromophores in the near-UV. (C) 2004 Elsevier B.V. All rights reserved.

Domaines

Matériaux

Dates et versions

hal-01361383 , version 1 (07-09-2016)

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Citer

C Christov, A Kantardjiev, T Karabencheva, Frederik Tielens. Mechanisms of generation of the rotational strengths in TEM-1 beta-lactamase. Part II: theoretical study of the effects of the electrostatic interactions in the near-UV. Chemical Physics Letters, 2004, 400 (4-6), pp.524-530. ⟨10.1016/j.cplett.2004.11.008⟩. ⟨hal-01361383⟩
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