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EXPERIMENTAL AND THEORETICAL STUDY OF THE FIRST VANADOCENE(IV) COMPLEXES OF a-AMINO ACID PREPARED FROM THE ANTITUMOR AGENT VANADOCENE DICHLORIDE

Rok: 2006

Druh publikace: článek v odborném periodiku

Název zdroje: Inorganic Chemistry

Název nakladatele: American Chemical Society

Místo vydání: Washington

Strana od-do: 2156-2162

Tituly:

Jazyk	Název	Abstrakt	Klíčová slova
cze	EXPERIMENTAL AND THEORETICAL STUDY OF THE FIRST VANADOCENE(IV) COMPLEXES OF a-AMINO ACID PREPARED FROM THE ANTITUMOR AGENT VANADOCENE DICHLORIDE	The first bioinorganic vanadocene(IV) complexes of a-amino acid ([Cp2Vaa]Cl; aa = glycine, L-alanine, L-valine) were prepared by reaction of antitumor active vanadocene dichloride [Cp2VCl2] (Cp = h5-C5H5) (1) and a-amino acids in aqueous methanol. Analogous PF6- ionic complexes were obtained by methathetical reactions of chloride complexes with KPF6. These compounds are of great interest as the model systems for the vanadocene moiety-binding to proteins. All complexes have been characterized by elemental analyses, IR and Raman spectroscopy and especially by EPR spectroscopy. On the basis of EPR spectra was suggested the chelate bound in all the studied complexes that is realize via the carboxylato and amino groups. This structure was also confirmed by DFT calculations.	vanadocene dichloride, amino acid, antitumor activity, EPR spectroscopy, DFT.
eng	EXPERIMENTAL AND THEORETICAL STUDY OF THE FIRST VANADOCENE(IV) COMPLEXES OF a-AMINO ACID PREPARED FROM THE ANTITUMOR AGENT VANADOCENE DICHLORIDE	The first bioinorganic vanadocene(IV) complexes of a-amino acid ([Cp2Vaa]Cl; aa = glycine, L-alanine, L-valine) were prepared by reaction of antitumor active vanadocene dichloride [Cp2VCl2] (Cp = h5-C5H5) (1) and a-amino acids in aqueous methanol. Analogous PF6- ionic complexes were obtained by methathetical reactions of chloride complexes with KPF6. These compounds are of great interest as the model systems for the vanadocene moiety-binding to proteins. All complexes have been characterized by elemental analyses, IR and Raman spectroscopy and especially by EPR spectroscopy. On the basis of EPR spectra was suggested the chelate bound in all the studied complexes that is realize via the carboxylato and amino groups. This structure was also confirmed by DFT calculations.	vanadocene dichloride, amino acid, antitumor activity, EPR spectroscopy, DFT.

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