A new type of stable radical ligand featuring a 1,1-bis-phosphinosulfide alkene backbone has been prepared and characterized on the basis of X-ray diffraction, EPR and DFT studies.

In an effort to structurally probe the metal binding site in VanX, electronic absorption, EPR, and extended x-ray absorption fine structure (EXAFS) spectroscopic studies were conducted on Co(II)-substituted VanX. Electronic spectroscopy revealed the presence of Co(II) ligand field transitions that had molar absorptivities of approximately 100 m(-1) cm(-1), which suggests that Co(II) is five-coo...

in the present work, the effects of operating conditions including ph, transmembrane pressure, oil concentration, and temperature on fouling resistance and the rejection of turbidity for a polymeric membrane in an ultrafiltration system of wastewater treatment were studied. a new modeling technique called evolutionary polynomial regression (epr) was investigated. epr is a method based on regres...

Simulations were done of the electron paramagnetic resonance (EPR) spectra for bis(N,N-dimethyl-L-alpha-isoleucinato)copper(II) dissolved in deuterated methanol as a function of temperature. They indicated different behaviour of the complex below and above 300 degrees K. The effect was examined by the conformational analysis of the copper(II) complex with a new molecular mechanics force field.

Possibility of application of wavelet analysis in EPR spectroscopy is investigated. Basic mathematics of the method is summarized, with emphasis on the relation between EPR experiment and physical interpretation of wavelet transform. The fact that first derivative of the Lorentzian function can be used as a base wavelet is employed and the specific rules of the interpretation of the final wavel...

We present details of a new high-field/high-frequency EPR technique, and its application to measurements of singlemolecule magnets (SMMs). By using a quasi-optical set-up and microwave sources covering a continuous frequency range from 170 to 600 GHz; in conjunction with a millimetre-wave vector network analyser, we are able to measure EPR to high magnetic fields. For example, a g 1⁄4 2 system ...

We report a general approach for the simulation of the electron paramagnetic resonance (EPR) spectra of spin labels attached to peptides and proteins directly from replica-exchange molecular dynamics (REMD) trajectories. Conventional MD trajectories are generally inadequate for the prediction of EPR line shapes since the label can become trapped in one or more of a set of rotameric states, thus...

A one-dimensional electron paramagnetic resonance (EPR) imaging method for visualisation of dose distributions in photon fields has been developed. Pressed pellets of potassium dithionate were homogeneously irradiated in a (60)Co radiation field to 600 Gy. The EPR analysis was performed with an X-Band (9.6 GHz) Bruker E540 EPR and EPR imaging spectrometer equipped with an E540 GC2X two-axis X-b...

• High SOD activity of Cu(II) complexes upon covalent immobilization in aerogel. EPR and SANS show the molecular level separation data formation new coordination modes Chemical environment, mode, alter reactivity complexes. mimetic aerogels form stable microparticles water. The copper(II) 1,4,7,10-tetraazacyclododecane (cyclen) 1,4,8,11- tetraazacyclotetradecane (cyclam) were covalently immobil...

In EPR (electron paramagnetic resonance) spectroscopy, computer simulation and least-squares fitting are essential in extracting quantitative structural and dynamic parameters from experimental spectra.Without numerical methods, this extraction would be restricted to simple systems. This chapter summarizes simulation and fitting methods that have been proposed in the literature and implemented ...