18F-Labeled Silicon-Based PET Tracers
FULL PAPER
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Figure 8. Radio-HPLC
chromatograms
of
2-(4-(di-tert-butyl-
ACHTUNGTRENNUNG
[18F]fluorosilyl)phenyl)acetyl-Arg-Ava-Gln-Trp-Ala-Val-NMeGly-His-
Sta-Leu-NH2 ([18F]-1q) after 2 h: a) in phosphate buffer; b) in mouse
plasma.
Computational Methods
[15] V. N. Staroverov, G. E. Scuseria, J. Tao, J. P. Perdew, J. Chem. Phys.
The all-electron Kohm–Sham DFT calculations were performed with the
quantum-chemical program package Turbomole.[11] In the DFT calcula-
tions the pure functionals BP86[12] and TPSS[13] in combination with the
resolution-of-the-identity (“RI”) density fitting technique, and also the
hybrid functionals B3LYP[14] and TPSSH[15] were applied. The TZVP and
TZVPP basis sets by Schꢂfer et al.[16] were employed for the DFT calcu-
lations. For the calculation of partial charges, natural population analysis
as implemented in Gaussian 03 was used.[17] The molecular structures
were visualized with the program Molden.[18] All geometry optimizations
were performed in C1 symmetry.
[16] A. Schꢂfer, C. Huber, R. Ahlrichs, J. Chem. Phys. 1994, 100, 5829.
[17] Gaussian 03, Revision D.01, M. J. Frisch, G. W. Trucks, H. B. Schle-
gel, G. E. Scuseria, M. A. Robb, J. R. Cheeseman, J. A. Montgomer-
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Rega, G. A. Petersson, H. Nakatsuji, M. Hada, M. Ehara, K.
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Acknowledgement
We gratefully acknowledge Marion Kuzora for technical assistance.
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Received: November 21, 2008
Published online: March 6, 2009
Chem. Eur. J. 2009, 15, 3736 – 3743
ꢀ 2009 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim
3743