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Data for Comprehensive vibrational spectroscopic investigation of trans,trans,trans-[Pt(N3)2(OH)2(py)2], a Pt(IV) diazido anticancer prodrug candidate
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Vernooij, Robbin, Joshi, Tanmaya, Shaili, Evyenia, Kubeil, Manja, Appadoo, Dominique R. T., Izgorodina, Ekaterina I., Graham, Bim, Sadler, P. J., Wood, Bayden R. and Spiccia, Leone (2016) Data for Comprehensive vibrational spectroscopic investigation of trans,trans,trans-[Pt(N3)2(OH)2(py)2], a Pt(IV) diazido anticancer prodrug candidate. [Dataset]
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Official URL: http://wrap.warwick.ac.uk/79549
Abstract
We report a detailed study of a promising photoactivatable metal-based anticancer prodrug candidate, trans,trans,trans-[Pt(N3)2(OH)2(py)2] (C1; py = pyridine), using vibrational spectroscopic techniques. Attenuated total reflection Fourier transform infrared (ATR-FTIR), Raman, and synchrotron radiation far-IR (SR-FIR) spectroscopies were applied to obtain highly resolved ligand and Pt-ligand vibrations for C1 and its precursors (trans-[Pt(N3)2(py)2] (C2) and trans-[PtCl2(py)2] (C3)). Distinct IR- and Raman-active vibrational modes were assigned with the aid of density functional theory calculations, and trends in the frequency shifts as a function of changing Pt coordination environment were determined and detailed for the first time. The data provide the ligand and Pt-ligand (azide, hydroxide, pyridine) vibrational signatures for C1 in the mid- and far-IR region, which will provide a basis for the better understanding of the interaction of C1 with biomolecules.
Item Type: | Dataset | |||||||||||||||||||||
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Subjects: | R Medicine > RC Internal medicine > RC0254 Neoplasms. Tumors. Oncology (including Cancer) | |||||||||||||||||||||
Divisions: | Faculty of Science, Engineering and Medicine > Science > Chemistry | |||||||||||||||||||||
Type of Data: | Vibrational spectroscopic and Density Functional Theory data | |||||||||||||||||||||
Library of Congress Subject Headings (LCSH): | Antineoplastic agents, Cancer -- Chemotherapy | |||||||||||||||||||||
Publisher: | University of Warwick, Department of Chemistry | |||||||||||||||||||||
Official Date: | 7 May 2016 | |||||||||||||||||||||
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Status: | Not Peer Reviewed | |||||||||||||||||||||
Publication Status: | Published | |||||||||||||||||||||
Media of Output (format): | .txt .docx | |||||||||||||||||||||
Access rights to Published version: | Open Access (Creative Commons) | |||||||||||||||||||||
Description: | Dataset contains following items: |
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