Bioconjugate Chem. 2007, 18, 1015
1015
CORRECTIONS Volume 17, Number 3, May/June 2006.
Timothy L. Kelly, Michael C. W. Lam, and Michael O. Wolf*
reported in Figure 1. The optically active state (computed at the CC2 level) is found at 4.01 eV, almost the same energy as in previous calculations, since the side group has a negligible effect on it, but now it is the lowest excited state and it is characterized by a HOMO f LUMO transition.
CARBOHYDRATE-LABELED FLUORESCENT MICROPARTICLES AND THEIR BINDING TO LECTINS The stereochemistry of compound 1a was incorrectly assigned as the β-anomer. It is the R-anomer, as determined by the 1J C1-H1 ) 176 Hz coupling constant. BC060127Z 10.1021/bc060127z Published on Web 05/02/2007
Volume 17, Number 1, January/February 2006.
Giovanna Barbarella,* Massimo Zambianchi, Alfredo Ventola, Eduardo Fabiano, Fabio Della Sala, Giuseppe Gigli, Marco Anni, Andrea Bolognesi, Letizia Polito, Marina Naldi, and Massimo Capobianco BRIGHT OLIGOTHIOPHENE N-SUCCINIMIDYL ESTERS FOR EFFICIENT FLUORESCENT LABELING OF PROTEINS AND OLIGONUCLEOTIDES In our work (1), we have discovered an inconsistency in the definition of the molecular geometry of compound 5 used in the theoretical calculations. We used a molecular structure with a CdC double bond on the succinimidyl group, while the succinimidyl group instead has single CsC bonds. The structure employed in calculations is known as maleimide instead. We repeated the theoretical calculations using the correct molecular structure. We found small changes in the electronic structure and optical properties. Molecular orbitals localized on the succinimidyl group are shifted in energy, so that now the LUMO is no longer localized on the succinimidyl group but rather on the bithiophene. New HOMO and LUMO orbitals are
Figure 1. HOMO and LUMO wave functions for N-succinimidyl ester 5.
Finally, we emphasize that the main conclusions drawn from theoretical calculations, based on considerations of optically active states and analysis of model compound AT2, still hold unaffected.
LITERATURE CITED (1) Barbarella, G., Zambianchi, M., Ventola, A., Fabiano, E., Della Sala, F., Gigli, G., Anni, M., Bolognesi, A., Polito, L., Naldi, M., and Capobianco, M. (2006) Bright oligothiophene N-succinimidyl esters for efficient fluorescent labeling of proteins and oligonucleotides. Bioconjugate Chem. 17, 58-67. BC060331M 10.1021/bc060331m Published on Web 04/11/2007
