Interaction of the antitumor agent vanadocene dichloride with phosphate buffered saline

Vanadocene dichloride (Cp 2VCl 2) interacts with phosphates contanied in phosphate buffered saline (PBS). Chelate complex Cp 2VO 2PO 2H | A iso(V)|=189.0 MHz, | a iso(P)|=81.5 MHz and g iso=1.9862 is the only paramagnetic specie formed at the range about the physiological pH (6.3–7.8). EPR study has...

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Bibliographic Details
Published in:Inorganica Chimica Acta 2004-09, Vol.357 (12), p.3765-3769
Main Authors: Vinklárek, Jaromı́r, Honzı́ček, Jan, Holubová, Jana
Format: Article
Language:English
Subjects:
Antitumor agents
DFT calculations
EPR spectroscopy
Super-hyperfine coupling
Vanadocene dichloride
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Summary:Vanadocene dichloride (Cp 2VCl 2) interacts with phosphates contanied in phosphate buffered saline (PBS). Chelate complex Cp 2VO 2PO 2H | A iso(V)|=189.0 MHz, | a iso(P)|=81.5 MHz and g iso=1.9862 is the only paramagnetic specie formed at the range about the physiological pH (6.3–7.8). EPR study has shown that in aqueous solution the anticancer agent vanadocene dichloride (Cp 2VCl 2) interacts with phosphates contained in phosphate buffered saline (PBS). Chelate complex Cp 2VO 2PO 2H (| A iso(V)|=189.0 MHz, | a iso(P)|=81.5 MHz and g iso=1.9862) is only one paramagnetic compound formed at the range about the physiological pH (6.3–7.8). Its structure was validated by comparison of observed and theoretical calculated HFC tensor (at the density functional level of theory).
ISSN:0020-1693
1873-3255
DOI:10.1016/j.ica.2004.04.010