| 1. |
- Barnden, L, et al.
(author)
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Validation of fully automatic brain SPET to MR co-registration
- 2000
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In: EUROPEAN JOURNAL OF NUCLEAR MEDICINE. - 0340-6997. ; 27:2, s. 147-154
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Journal article (peer-reviewed)abstract
- Fully automatic co-registration of functional to anatomical brain images using information intrinsic to the scans has been validated in a clinical setting for positron emission tomography (PET), but not for single-photon emission tomography (SPET). In thi
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| 2. |
- Czapla-Masztafiak, Joanna, et al.
(author)
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Direct Determination of Metal Complexes' Interaction with DNA by Atomic Telemetry and Multiscale Molecular Dynamics
- 2017
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In: The Journal of Physical Chemistry Letters. - : AMER CHEMICAL SOC. - 1948-7185. ; 8:4, s. 805-811
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Journal article (peer-reviewed)abstract
- The lack of molecular mechanistic understanding of the interaction between metal complexes and biomolecules hampers their potential medical use. Herein we present a robust procedure combining resonant X-ray emission spectroscopy and multiscale molecular dynamics simulations, which allows for straightforward elucidation of the precise interaction mechanism at the atomic level. The report unveils an unforeseen hydrolysis process and DNA binding of [Pt{N(p-HC6F4)CH2}(2)py(2)] (Pt103), which showed potential cytotoxic activity in the past. Pt103 preferentially coordinates to adjacent adenine sites, instead of guanine sites as in cisplatin, because of its hydrogen bond ability. Comparison with previous research on cisplatin suggests that selective binding to guanine or adenine may be achieved by controlling the acidity of the compound.
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| 3. |
- Czapla-Masztafiak, Joanna, et al.
(author)
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Mechanism of hydrolysis of a platinum(IV) complex discovered by atomic telemetry
- 2018
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In: Journal of Inorganic Biochemistry. - : ELSEVIER SCIENCE INC. - 0162-0134 .- 1873-3344. ; 187, s. 56-61
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Journal article (peer-reviewed)abstract
- Herein we report on the hydrolysis mechanism of [Pt{N(p-HC6F4)CH2}(2)(NC5H5)(2)(OH)(2)], a platinum(IV) complex that exhibits anti-cancer properties. Atomic telemetry, an in situ technique based on electron structure sensitive X-ray spectroscopy, revealed that hydrolysis preceded any reduction of the metal center. The obtained results are complemented with F-19 NMR measurements and theoretical calculations and support the observation that this Pt-II complex does not reduce spontaneously to Ptll in HEPES buffer solution at pH 7.4 and after 24 h incubation. These results are of importance for the design of novel Pt-based coordination complexes as well as understanding their behavior under physiological conditions.
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