the binding energy and thermodynamic parameters of cis- platinum di ammino chlorine (cis-[pt(nh3)2cl]+) and trans- platinum di ammino chlorine (trans- [pt(nh3)2cl]+) complexes withguanine has been studied by density functional theory (dft) calculations in water. the bindingenergies (ebin) of cis- and trans-[pt(nh3)2clg]+ are calculated to be 79.38 kcal/mol and 74.98kcal/mol, respectively. the b...

The binding energy and Thermodynamic Parameters of cis- Platinum Di Ammino Chlorine (cis-[Pt(NH3)2Cl]+) and trans- Platinum Di Ammino Chlorine (trans- [Pt(NH3)2Cl]+) complexes withGuanine has been studied by density functional theory (DFT) calculations in water. The bindingenergies (Ebin) of cis- and trans-[Pt(NH3)2ClG]+ are calculated to be 79.38 kcal/mol and 74.98kcal/mol, respectively. The b...

The first examples of Pt complexes of the well known anti-epilepsy drug and histone deacetylase inhibitor, valproic acid (VPA), are reported. Reaction of the Pt(II) am(m)ine precursors trans-[PtCl(2)(NH(3))(py)] and trans-[PtCl(2)(py)(2)] with silver nitrate and subsequently sodium valproate gave trans-[Pt(VPA(-1H))(2)(NH(3))(py)] and trans-[Pt(VPA(-1H))(2)(py)(2)], respectively. The valproato ...

The mechanism of the (dpms)Pt(II)Me(OH(n))((2-n)-) oxidation in water to form (dpms)Pt(IV)Me(OH)2 and (dpms)Pt(IV)Me2(OH) complexes was analyzed using DFT calculations. At pH < 10, (dpms)Pt(II)Me(OH(n))((2-n)-) reacts with O2 to form a methyl Pt(IV)-OOH species with the methyl group trans to the pyridine nitrogen, which then reacts with (dpms)Pt(II)Me(OH(n))((2-n)-) to form 2 equiv of (dpms)Pt(...

A series of novel Pt(ii) complexes [cis- and trans-Pt(ii)(salicylaldimine)(DMSO)Cl (), trans-Pt(ii)(salicylaldimine)(4-picoline)Cl (), Pt(ii)(salicylaldimine)Cl (), trans- and cis/trans-Pt2(ii)(salicylaldimine)(DMSO)2Cl2 (), trans-Pt2(ii)(salicylaldimine)(4-picoline)2Cl2 () was synthesized and characterized. The structures of -cis, -trans and were determined using a single crystal X-ray analysi...

Pt(II) azido complexes [Pt(bpy)(N(3))(2)] (1), [Pt(phen)(N(3))(2)] (2) and trans-[Pt(N(3))(2)(py)(2)] (3) incorporating the bidentate diimine ligands 2,2'-bipyridine (bpy), 1,10-phenanthroline (phen) or the monodentate pyridine (py) respectively, have been synthesised from their chlorido precursors and characterised by X-ray crystallography; complex 3 shows significant deviation from square-pla...

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 vi...

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 wa...

The physical and biological properties have been determined for three Pt(IV) complexes with trans amine ligands: trans,trans,trans-[PtCl(2)(OH)(2)(dimethylamine)(isopropylamine)] (1(IV)), trans,trans,trans-[PtCl(2)(OH)(2)(dimethylamine)(methylamine)] (2(IV)) and trans,trans,trans-[PtCl(2)(OH)(2)(isopropylamine)(methylamine)] (3(IV)). The crystal structures of 2(IV) and 3(IV) reveal substantial ...

Ligand 2-diphenylphosphinothiophenol (Hsarp) reacted with Pt(PPh3)4 to yield trans-[PtH(sarp)(PPh3)], which undergoes fast exchange with free PPh3 on the NMR time scale and very slowly and reversibly formed some cis-[PtH(sarp)(PPh3)] over time in solution (11%, 24 h). Reaction of trans-[PtH(sarp)(PPh3)] with Hsarp in boiling toluene gave cis- and trans-[Pt(sarp)2]; the cis isomer being more sta...