نتایج جستجو برای: epr ii basis set

تعداد نتایج: 1544489  

2012
Magdalena Zdybel Barbara Pilawa Ewa Buszman Dorota Wrześniok Ryszard Krzyminiewski Zdzisław Kruczyński

The application of electron paramagnetic resonance (EPR) spectroscopy in pharmacy of melanin complexes with netilmicin and Cu(II) was presented. The continuous microwave saturation of EPR spectra of DOPA-melanin and the complexes was performed. EPR spectra were measured on an X-band (9.3 GHz) spectrometer at temperatures in the range of 105-300 K. Paramagnetic copper ions decrease the intensity...

Journal: :Acta poloniae pharmaceutica 2015
Magdalena Zdybel Barbara Pilawa Ewa Chodurek

Electron paramagnetic resonance (EPR) spectroscopy may be applied to examine interactions of melanin with metal ions and drugs. In this work EPR method was used to examination of changes in free radical system of DOPA-melanin--the model eumelanin after complexing with diamagnetic cadmium(II) ions. Cadmium(II) may affect free radicals in melanin and drugs binding by this polymer, so the knowledg...

2008
K. A. Earle

The spin operator basis set is a useful tool to facilitate spectroscopic lineshape computations that use a density matrix approach, such as the stochastic Liouville equation. For systems with multiple, coupled spins, a generalization of the Wigner-Eckart theorem allows a concise formulation of the spin dynamics. This concision is achieved by the use of a spin basis set in which the coupled spin...

Journal: :journal of physical & theoretical chemistry 2015
leila pishkar parisa r. jamaat somayeh makarem

tacrine (9-amino-1,2,3,4-tetrahydroacridine) as a reversible inhibitor of acetylcholinesterase (ache),was the first drug for the symptomatic treatment of alzheimer’s disease (ad). nmr structuredetermination still presents some considerable challenges: the method is limited to systems ofrelatively small molecular mass, data collection times are long, data analysis remains a lengthyprocedure, and...

Journal: :Bioinorganic Chemistry and Applications 2007
Sulekh Chandra Smriti Raizada Monika Tyagi Archana Gautam

A series of metal complexes of Cu(II) and Ni(II) having the general composition [M(L)X(2)] with benzil bis(thiosemicarbazone) has been prepared and characterized by element chemical analysis, molar conductance, magnetic susceptibility measurements, and spectral (electronic, IR, EPR, mass) studies. The IR spectral data suggest the involvement of sulphur and azomethane nitrogen in coordination to...

Journal: :The journal of physical chemistry. A 2011
Ya Kun Chen Donald G Fleming Yan Alexander Wang

The hyperfine coupling constants (HFCCs) of all the butyl radicals that can be produced by muonium (Mu) addition to butene isomers (1- and 2-butene and isobutene) have been calculated, to compare with the experimental results for the muon and proton HFFCs for these radicals reported in paper II (Fleming, D. G.; et al. J. Phys. Chem. A 2011, 10.1021/jp109676b) that follows. The equilibrium geome...

2012
Alette Winter André Zabel Peter Strauch

Ionic liquids (ILs) on the basis of metal containing anions and/or cations are of interest for a variety of technical applications e.g., synthesis of particles, magnetic or thermochromic materials. We present the synthesis and the results of electron paramagnetic resonance (EPR) spectroscopic analyses of a series of some new potential ionic liquids based on tetrachloridocuprates(II), [CuCl(4)](...

Journal: :Dalton transactions 2016
Prateeti Chakraborty Ishani Majumder Kazi Sabnam Banu Bipinbihari Ghosh Hulya Kara Ennio Zangrando Debasis Das

Two "end-off" compartmental ligands, 2-formyl-4-chloro-6-N-ethylmorpholine-iminomethyl-phenol (HL1) and 2-formyl-4-methyl-6-N-ethylpyrrolidine-iminomethyl-phenol (HL2) have been designed and three complexes of Mn(ii), one mono-, one di- and a polynuclear, namely Mn(L1)(SCN)2(H2O)] (), [Mn2(L1)(OAc)2](BPh4)] (), and [Mn2(L2)(OAc)2(dca)]n () have been synthesized and structurally characterized. V...

Journal: :Circulation 2006
Xianren Wu Tomas Drabek Patrick M Kochanek Jeremy Henchir S William Stezoski Jason Stezoski Kristin Cochran Robert Garman Samuel A Tisherman

BACKGROUND Induction of profound hypothermia for emergency preservation and resuscitation (EPR) of trauma victims who experience exsanguination cardiac arrest may allow survival from otherwise-lethal injuries. Previously, we achieved intact survival of dogs from 2 hours of EPR after rapid hemorrhage. We tested the hypothesis that EPR would achieve good outcome if prolonged hemorrhage preceded c...

Journal: :The Biochemical journal 1996
J A Farrar G Formicka M Zeppezauer A J Thomson

Replacement of the catalytic Zn(II) in horse liver alcohol dehydrogenase (HLADH) with copper produces a mononuclear Cu(II) chromophore with a ligand set consisting of two cysteine sulphurs, one histidine nitrogen plus one further atom. The fourth ligand to the metal ion and the conformation of the protein may be altered by addition of exogenous ligands and/or the cofactor NADH. Absorbance, CD, ...

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