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Data for Spin-labelled photo-cytotoxic diazido platinum(IV) anticancer complex

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Venkatesh, Venkatesh, Wedge, Christopher, Romero-Canelón, Isolda, Habtemariam, Abraha and Sadler, P. J. (2016) Data for Spin-labelled photo-cytotoxic diazido platinum(IV) anticancer complex. [Dataset]

[img] Plain Text (Read Me File describing additional data available)
README.txt - Supplemental Material
Available under License Creative Commons Attribution Non-commercial Share Alike.

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[img] Other (2D EPR dataset (field, time), comma separated plain text)
EPR_data.csv - Supplemental Material
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[img] Other (EPR spectral simulation, comma separated plain text)
Simulations.csv - Supplemental Material
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[img] Other (Time dependent spin adduct concentration data, comma separated plain text)
TimeDependentConcentration.csv - Supplemental Material
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[img] Other (2D EPR dataset, Bruker WinEPR binary file)
09Dec15_#18_X2.spc - Supplemental Material
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[img] Other (2D EPR dataset, Bruker WinEPR parameter file)
09Dec15_#18_X2.par - Supplemental Material
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Official URL: http://wrap.warwick.ac.uk/79055

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Abstract

We report the synthesis and characterisation of the nitroxide spin-labelled photoactivatable Pt(IV) prodrug trans,trans,trans-[Pt(N3)2(OH)(OCOCH2CH2CONH-TEMPO)(Py)2] (Pt-TEMPO, where TEMPO = 2,2,6,6-tetramethylpiperidine 1-oxyl). Irradiation with blue visible light gave rise to Pt(II) and azidyl as well as nitroxyl radicals. Pt-TEMPO exhibited low toxicity in the dark, but on photoactivation was as active towards human ovarian cancer cells as the clinical photosensitizer chlorpromazine and much more active than the anticancer drug cisplatin under the conditions used.

Item Type: Dataset
Subjects: R Medicine > RC Internal medicine > RC0254 Neoplasms. Tumors. Oncology (including Cancer)
Divisions: Faculty of Science, Engineering and Medicine > Science > Chemistry
Faculty of Science, Engineering and Medicine > Science > Physics
Type of Data: EPR data, EasySpin simulation data
Library of Congress Subject Headings (LCSH): Antineoplastic agents
Publisher: University of Warwick, Department of Chemistry
Official Date: May 2016
Dates:
DateEvent
May 2016Available
6 May 2016Accepted
9 April 2016Submitted
Collection date:
Date fromDate to
December 2015April 2016
Status: Not Peer Reviewed
Publication Status: Published
Media of Output (format): .txt .csv
Access rights to Published version: Open Access (Creative Commons)
Description:

5 files of EPR data as described below

Simulations.csv

EasySpin generated simulation data, no scaling
Full simulation parameters in paper ESI
Easyspin version 5.0.9
MATLAB version 8.6.0.267246 (R2015b)

3 columns, 1 header row
Col 1: Magnetic Field axis, units mT
Col 2: Simulation for Pt-TEMPO compound
Col 3: Simulation for DMPO-azidyl adduct

EPR_data.csv

Experimental data loaded from Bruker Binary with EasySpin
Saved as comma separated plain text using MATLAB csvrwite
Full experimental parameters in paper / ESI

3 columns, 1 header row
Header row: Columns labelled by scan number
Col 1: Spectrometer recorded magnetic Field converted to mT
Col 2-61: Field swept EPR data

TimeDependentConcentration.csv

Results of fitting spin adduct concentration as in Fig 3c

2 columns, 1 header row
Col 1: Scan time from logging software, decimal minutes
i.e. 2.5 min = 2 min 30 seconds etc...
Col 2: Spin adduct concentration extracted from fit

09Dec15_#18_X2.par
09Dec15_#18_X2.spc

Raw bruker header and binary data files as generated

RIOXX Funder/Project Grant:
Project/Grant IDRIOXX Funder NameFunder ID
EP/J500045/1[EPSRC] Engineering and Physical Sciences Research Councilhttp://dx.doi.org/10.13039/501100000266
UNSPECIFIEDH2020 European Research Councilhttp://dx.doi.org/10.13039/100010663
Isaac Newton International FellowshipBritish Academyhttp://dx.doi.org/10.13039/501100000286
Isaac Newton International FellowshipAcademy of Medical Scienceshttp://dx.doi.org/10.13039/501100000691
Isaac Newton International FellowshipRoyal Societyhttp://dx.doi.org/10.13039/501100000288
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