نتایج جستجو برای: manganese porphyrins
تعداد نتایج: 27235 فیلتر نتایج به سال:
We present a plane-wave ultrasoft pseudopotential implementation of first-principle molecular dynamics, which is well suited to model large molecular systems containing transition metal centers. We describe an efficient strategy for parallelization that includes special features to deal with the augmented charge in the contest of Vanderbilt's ultrasoft pseudopotentials. We also discuss a simple...
Peroxynitrite (ONOO-) is a potent oxidant implicated in a number of pathophysiological processes. The activity of ONOO- is related to its accessibility to biological targets before its spontaneous decomposition (t1/2 approximately 1 s at pH 7.4, 37 degrees C). Using model phospholipid vesicular systems and manganese porphyrins as reporter molecules, we demonstrated that ONOO- freely crosses pho...
The photoinduced oxidation of tetra(N-methyl-4-pyridyl)porphyrinmanganese(III) has been achieved in homogeneous solution. The manganese porphyrin was used as an electron donor in a three-component system with tris-(2,2'-bipyridine)ruthenium(II) as the photosensitizer and chloropentaamminecobalt(III) as the electron acceptor. The photooxidized manganese porphyrin is unstable in aqueous solution,...
The redox properties of metalloporphyrins have been studied extensively, and particular attention has been paid to the changes in oxidation states of the metaL t-3 In general, the most stable metalloporphyrins are those in which the metal is in the + 2 oxidation state. However, most of the transition metalloporphyrins show a variety of oxidation states. Thus Co(ll) porphyrins can, like the corr...
Computer simulations are used to design more hydrated bilayers, formed from amine-modified porphyrin-phospholipids (PoPs). Experiments confirm that the new constructs give rise to bilayers with greater water content. When chelated with manganese, amine-modified PoPs provide improved contrast for magnetic resonance and are safely used for imaging in vivo.
The water soluble porphyrin tetrakis(4-N-methylpyridyl)porphine (H2TMpyP) and its copper(II) derivative (CuTMpyP) convert Z-poly(dG-dC) to the B-form. For H2TMpyP, the fraction Z character (fr-Z) is given by fr-Z = 1.0 - 21 rO and for CuTMpyP, fr-Z = .94 - 12 rO where rO identical to [Porphyrin]O/[DNA]O. Neither the manganese(III) derivative of of this porphyrin (MnTMpyP) nor tetrakis(2-N-methy...
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