The use of two metal systems cis-Pt(NHC)(2)Me(2) and cis-Ir(NHC)(CO)(2)Cl help to highlight the flexibility of a series of cycloalkyl-substituted N-heterocyclic carbene ligands (ICy, ICy(7), ICy(8), ICy(12)). Bond dissociation enthalpies of several N-heterocyclic carbenes (NHCs) in cis-Pt(NHC)(2)Me(2) are estimated. Electronic and steric parameters of the ICy(n) ligands are quantified and discu...

Cell killing and mutation induction by cis- and trans-Pt(NH3)2Cl2 in Escherichia coli were examined by studying forward mutagenesis in the lacI gene in cells with different repair capacities. Survival experiments showed that repair-proficient cells were slightly more sensitive for the cis isomer than for the trans isomer, whereas repair-deficient RecA and UvrB cells were extremely sensitive onl...

The anticancer activity of cisplatin is triggered by its formation of intrastrand adducts involving adjacent G residues of DNA. To obtain information on the different conformers that can be formed, carrier ligands such as 2,2'-bipiperidine, which provide large steric bulk near the platinum coordination plane and decrease the dynamic motion about the Pt-N7 bonds, were introduced ("retro-modellin...

The single crystal structure of cis-dichlorobis(triphenyphosphite) platinum(II), [PtCl2(P(OPh)3)2] has been determined. This complex crystallises in the orthorhombic space group, P212121 with cell constant, a=10.4135(13), b=14.0635(16), c=23.505(3) Ǻ and v=3448.3(7) Ǻ . The Pt-Cl1 and Pt-Cl2 distances are 2.3390(10) Ǻ and 2.3256 Ǻ, which are longer than Pt-P1 and Pt-P2 with 2.1985(12) Ǻ and 2.1...

In an approach to design drugs with higher affinity for π-π stacking and electrostatic interactions with targeted biomolecules, complexes of the type [{cis-Pt(A)2 (L)}2 -μ-{trans-1,4-dach}](NO3 )4 ((A)2 =(NH3 )2 or ethylenediamine (en), L=quinoline (quin) or benzothiazole (bztz), dach=trans-1,4-diaminocyclohexane) were synthesized. The quinoline complex, [{cis-Pt(en)(quin)}2 -μ-(dach)](NO3 )4 (...

This study examines the mechanisms by which thioumeamay protect cells against toxic actions produced by platinum com plexes or nitrogen mustards. Mouse leukemia Li 210 cells were assayed for survival by colony formation in soft agamand for DNA interstrand cross-linking using the alkaline elution method. The survival of Li 2i 0 cells treated with cis-and trans Pt(Il)diamminedichloride was enhanc...

The flexible ditopic ligand 3,3'-bipyridine (3,3'-bpy) has been reacted with a series of transition metal species (Ag(+), Hg(2+), cis-a(2)M(2+) (a = NH(3) or a(2) = en; M = Pt, Pd), trans-a(2)Pt(2+) (a = NH(3))) in an attempt to produce discrete cyclic constructs. While Ag(+) gave a polymeric structure {[Ag(3,3'-bpy)](ClO(4)) . H(2)O}(n) (1), with all other metal entities cyclic structures were...

We synthesised four tetrazolato-bridged dinuclear Pt(ii) complexes, [{cis-Pt(NH3)2}2(μ-OH)(μ-5-R-tetrazolato-N2,N3)](n+), where R is CH3 (1), C6H5 (2), CH2COOC2H5 (3), or CH2COO(-) (4) and n = 2 (1-3) or 1 (4). Their structures were characterised by (1)H, (13)C, and (195)Pt NMR spectroscopy, mass spectrometry, and elemental analysis, and the crystal structure of 1 was determined by X-ray crysta...

Zero-point vibrationally averaged (rg 0 ) structures were computed at the PBE0/SDD/631G* level for the [Pt 35 Cln 37 Cl5-n(H2 18 O)]  (n=0-5), cis-Pt 35 Cln 37 Cl(4-n)(H2 18 O)(H2 16 O) (n=0-4), fac-[Pt 35 Cln 37 Cl(3-n)(H2 18 O)(H2 16 O)2]  (n=0-3), [Pt 35 Cln 37 Cl5-n( 16/18 OH)] 2 (n=0-5), cis-[Pt 35 Cln 37 Cl(4-n)( 16/18 OH)2] 2(n=0-4), fac-[Pt 35 Cln 37 Cl(3-n)( 16/18 OH)3]  (n=0-3), ...

The GIAO-PBE0/SARC-ZORA(Pt)∪6-31+G(d)(E) (E = main group element) computational protocol without including relativistic and spin-orbit effects is offered here for the accurate prediction of the (195)Pt NMR chemical shifts of a series of cis-(amine)2PtX2 (X = Cl, Br, I) anticancer agents (in total 42 complexes) and cis-diacetylbis(amine)platinum(II) complexes (in total 12) in solutions employing...