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New insights into the redox chemistry of ruthenium metallopharmaceuticals: the electrochemical behaviour of [LH][trans-RuIIICl4L2] (L = imidazole or indazole) complexes
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Effects of dimethylsulfoxide and ethanol on the cytotoxic activity of titanocene dichloride
No full textAppraisal of the Redox Behaviour of the Antimetastatic Ruthenium(III) Complex [ImH][RuCl4(DMSO)(Im)], NAMI-A
No full textThe imidazolium trans-tetrachloro( dimethylsulfoxide) imidazoleruthenate(III) complex [ImH][Ru(III)Cl4(DMSO)(Im)], NAMI-A, has shown an interesting antimetastatic activity. Since Ru( III) complexes are coordinatively more inert than the corresponding Ru(II) derivatives, an "activation by reduction" mechanism has been proposed to explain the biological activity of NAMI-A, thus acting as a pro-drug. We report here an electrochemical study on NAMI-A in aqueous solutions which emphasizes the structural and chemical consequences accompanying the easy Ru(III)/Ru(II) electron transfer (e.g., axial imidazole/water exchange in acidic solution in the short timescale of cyclic voltammetry followed by equatorial chloride/water exchange in the longer timescale of macroelectrolysis)
Green approaches to develop patient-specific drug-releasing patches for chronic wound treatment
Full text link17O and 1H Relaxometric and DFT Study of Hyperfine Coupling Constants in [Mn(H2O)6]2+
Full text linkNuclear Magnetic Relaxation Dispersion (NMRD) profiles and 17O NMR chemical shifts and transverse relaxation rates of aqueous solutions of Mn(H2O)6]2+ were recorded to determine the parameters
governing the relaxivity in this complex and the 17O and 1H hyperfine coupling constants (HFCCs). The
analysis of the NMRD and 17O NMR data provided a water exchange rate of kex(298) = 28.2x10^6 s-1, and AO/ħ and AH/ħ hyperfine coupling constants of 34.6 and 5.4 rad s1, respectively. DFT calculations (TPSSh model) performed on the [Mn(H2O)6]2+ and [Mn(H2O)6]2+ 12H2O systems were used to evaluate
theoretically the 17O and 1H HFCCs responsible for the 17O NMR chemical shifts and the scalar contributions to 17O and 1H NMR relaxation rates. The use of a mixed cluster–continuum approach with
the explicit inclusion of second-sphere water molecules is critical for an accurate calculation of HFCCs of coordinated water molecules. The impact of complex dynamics on the calculated HFCCs was
evaluated with the use of molecular dynamics simulations within the atom-centered density matrix propagation (ADMP) approach. These molecular dynamics simulations show that the Aiso values are
critically affected by the distance between the oxygen atom of the coordinated water molecule and the MnII ion, as well as by the orientation of the water molecule plane with respect to the Mn–O vector. The substantial scalar contribution to relaxivity observed for [Mn(H2O)6]2+ is related to a combination of a
slow water exchange rate and a slow electron spin relaxation
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