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We have studied the detailed reaction mechanism of iron and manganese superoxide dismutase with density functional calculations on realistic active-site models, with large basis sets and including solvation, zero-point, and thermal effects. The results indicate that the conversion of O-2(-) to O-2 follows an associative mechanism, with O-2 directly binding to the metal, followed by the protonation

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Electron injection from the transition metal complex Ru(dcbpy)(2)(NCS)(2) (dcbpy = 2,2'-bipyridine-4,4'-dicarboxylate) into a titanium dioxide nanoparticle film occurs along two pathways. The dominating part of the electron injection proceeds from the initially excited singlet state of the sensitizer into the conduction band of the semiconductor on the sub-hundred-femtosecond time scale. The slowe

The paper concentrates on the study of Mo-V-Te-Nb oxide mixtures by electron microscopy combined with catalytic investigation of these materials in the partial oxidation of propane. Surface texturing of catalyst particles composed of two phases referred to in the literature as M1 and M2 is revealed by high-resolution transmission electron microscopy of high performing catalysts. The chemical compo

Unlike the Quebec classification system, which is based primarily on pathoanatomy, a new Swedish classification system is based on the site of functional impairment and disability. A prospective study was performed on 85 patients with whiplash-associated disorders grade II according to the Quebec classification. The patients were examined 3-36 months following trauma. A team of professionals with

A chemotaxonomic method for classification of asymmetric penicillia by means of cross-partition in aqueous two-phase systems combined with SIMCA pattern recognition analysis. Conidia of three strains each of three closely related Penicillium species in the P. oiridicatum group were subjected to cross-partition in aqueous polymer two-phase systems. The cross-point values, the percentage of conidia

Objective. Few have studied the long-term effects of smoking and smoking cessation on weight gain and blood pressure increase and compared with the age-related increases experienced by most adults. This study compared the development of weight and blood pressure in female never smokers, continuing smokers and smokers who quit smoking. Design. Weight, systolic (SBP) and diastolic (DBP) blood press

Increased vascular dilatation and permeability characterize allergic rhinitis. In this study oligonucleotide microarrays (Affymetrix HuGe95A) were used to identify differentially expressed vasoactive genes in nasal biopsies from 23 patients with symptomatic seasonal allergic rhinitis (SAR) and 12 healthy controls. RNA was extracted from the biopsies and pooled in three patient and three control po

Behavioral research has produced little evidence on sound feature discrimination in neonates. Sensory processes underlying sound perception can be studied using the mismatch negativity (MMN) component of auditory event-related potentials (ERPs), which is not contingent on conscious perception and response. Thus, MMN is suitable for studying newborns, who are difficult to obtain behavioral response

The stopping of Si-28 ions in polycrystalline Si foils has been measured over the energy range 0.1-3.3 MeV per nucleon. For the low energy interval (0.1-0.5 MeV per nucleon), time of flight-energy elastic recoil detection analysis method was used, whilst for the high energy region (1.2-3.3 MeV per nucleon) the energy loss in the same foil was measured using a Si p-i-n diode with the Si-28 ions dir

The electrostatic properties of charged surfactant micelles are investigated through titrations of fatty acid probes solubilized in the micelles. The titration process is followed by means of calorimetric measurements and by determining the pH values as a function of added base. This approach yields a complete thermodynamic description of the titration process. In particular, we find that the proc

A group of Swedish oncologists and hospital physicists have estimated the number of patients in Sweden suitable for proton beam therapy. The estimations have been based on current statistics of tumour incidence, number of patients potentially eligible for radiation treatment, scientific support from clinical trials and model dose planning studies and knowledge of the dose-response relations of dif

The use of mono-crystalline silicon microstructures for high-speed and high sensitivity protein mapping and protein identification is presented as an important contribution within the field of proteomics. The various approaches for handling minute amounts of protein sample are described. Piezoelectric dispensing units developed in-house are being used for sample-handling and the generation of 60-p