نتایج جستجو برای: epr ii basis set

تعداد نتایج: 1544489  

Journal: :Chembiochem : a European journal of chemical biology 2003
Olav Schiemann Jörg Fritscher Natalja Kisseleva Snorri Th Sigurdsson Thomas F Prisner

Electron paramagnetic resonance spectroscopy and density functional theory methods were used to study the structure of a single, high-affinity Mn(II) binding site in the hammerhead ribozyme. This binding site exhibits a dissociation constant Ke of 4.4 microM in buffer solutions containing 1 M NaCl, as shown by titrations monitored by continuous wave (cw) EPR. A combination of electron spin echo...

پایان نامه :وزارت علوم، تحقیقات و فناوری - دانشگاه تربیت مدرس - دانشکده علوم پایه 1390

. ترکیبات سنتزشده با استفاده از تکنیـک های طیف سنجـیir ، 13c nmr، 1h،31p ، 119snو بلورنگاری با پرتو x مورد شناسایی قرار گرفتند. محاسبات nbo با روش dft(b3lyp) با استفاده از 6-31+g* basis set انجام شد. در نهایت اثر ضدمیکروبی برخی از ترکیبات سنتز شده علیه 2 نوع باکتری گرم مثبت استافیلوکوکوس اورئوس و باسیلوس سابتیلوس و 2 نوع باکتری گرم منفی اشریشیاکولی (ا.کولی) و هلیکوباکترپیلوری با استفاده از روش ...

2006
S. M. Roy

Probabilities and correlations in EPR experiments. The EPR-Bohm-Aharonov [1] system of two correlated spin-half particles or qubits observed by spatially separated observers has often been used as an arena in which to probe fundamental questions about quantum theory. Typically there are four different configurations corresponding to four different experiments and one obtains no-go theorems on (...

2003
T. YONETANI H. YAMAMOTO J. E. ERMAN J. S. LEIGH G. H. REED

Paramagnetic complexes of iron (III), manganese (II), and cobalt (II) protoporphyrins IX and apohemoproteins react with nitric oxide to form spectroscopically distinct compounds. Optical and electron paramagnetic resonance (EPR) studies suggest that a l-electron transfer between nitric oxides and metal ions which occurs in these reactions results in the formation of spin-paired complexes of the...

Journal: :The Journal of biological chemistry 1972
T Yonetani H Yamamoto J E Erman J S Leigh G H Reed

Paramagnetic complexes of iron (III), manganese (II), and cobalt (II) protoporphyrins IX and apohemoproteins react with nitric oxide to form spectroscopically distinct compounds. Optical and electron paramagnetic resonance (EPR) studies suggest that a l-electron transfer between nitric oxides and metal ions which occurs in these reactions results in the formation of spin-paired complexes of the...

2003
T. YONETANI J. E. ERMAN J. S. LEIGH G. H. REED

Paramagnetic complexes of iron (III), manganese (II), and cobalt (II) protoporphyrins IX and apohemoproteins react with nitric oxide to form spectroscopically distinct compounds. Optical and electron paramagnetic resonance (EPR) studies suggest that a l-electron transfer between nitric oxides and metal ions which occurs in these reactions results in the formation of spin-paired complexes of the...

Journal: :Dalton transactions 2010
Cristina Núñez Rufina Bastida Alejandro Macías Laura Valencia Nicolás I Neuman Alberto C Rizzi Carlos D Brondino Pablo J González José Luis Capelo Carlos Lodeiro

The Py(2)N(4)S(2) octadentate coordinating ligand afforded dinuclear cobalt, copper and zinc complexes and the corresponding mixed metal compounds. The overall geometry and bonding modes have been deduced on the basis of elemental analysis data, MALDI-TOF-MS, IR, UV-vis and EPR spectroscopies, single-crystal X-Ray diffraction, conductivity and magnetic susceptibility measurements. In the copper...

Journal: :The journal of physical chemistry. B 2007
Alexander Angerhofer Ellen W Moomaw Inés García-Rubio Andrew Ozarowski J Krzystek Ralph T Weber Nigel G J Richards

Oxalate decarboxylase from Bacillus subtilis is composed of two cupin domains, each of which contains a Mn(II) ion coordinated by four identical conserved residues. The similarity between the two Mn(II) sites has precluded previous attempts to distinguish them spectroscopically and complicated efforts to understand the catalytic mechanism. A multifrequency cw-EPR approach has now enabled us to ...

Journal: :Dalton transactions 2014
Dijana Žilić Boris Rakvin Dalibor Milić Damir Pajić Ivica Đilović Massimo Cametti Zoran Džolić

A set of four copper(ii) complexes, and (X = Cl, Br; = N-(l-leucine methyl ester)-N'-((2-pyridin-2-yl)methyl)oxalamide and = N-benzyl-N'-((2-pyridin-2-yl)methyl)oxalamide), have been synthesized and characterized by X-ray structural analysis, electron paramagnetic resonance (EPR) spectroscopy on single crystals and by SQUID magnetization measurements. X-ray diffraction studies show one-dimensio...

نمودار تعداد نتایج جستجو در هر سال

با کلیک روی نمودار نتایج را به سال انتشار فیلتر کنید