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The aerosol water content and volumetric growth factors of fine particulate matter were measured during July-August 2001 and January-June 2002 in an urban park about 6 km from downtown Pittsburgh, Pennsylvania. Most of the aerosol during the study was tran ...
Parametric active contour models are one of the preferred approaches for image segmentation because of their computational efficiency and simplicity. However, they have a few drawbacks which limit their performance. In this paper, we identify some of these ...
Redox potentials measure the free energy required to transfer a mol. species (ion) between two states of different total charge. In soln. a major contribution to the redox potential is the hydration free energy difference of the ion in the two oxidn. state ...
The thermochem. of the RuO42- + MnO4- RuO4- + MnO42- redox reaction in aq. soln. is studied by sep. d.-functional-based ab initio mol.-dynamics simulations of the component half reactions RuO42- -> RuO4- + e- and MnO42- -> MnO4- + e-. We compare the result ...
A thermodynamic model, the Gibbs Free-Energy Minimization model (GFEMN), was used to simulate the partitioning of PM2.5 nitrate aerosol and nitric acid using highly time-resolved inorganic measurements collected at the Pittsburgh Air Quality Study during J ...
We introduce a 3-D parametric active contour algorithm for the shape estimation of DNA molecules from stereo cryo-electron micrographs. We consider a 3-D filament (consisting of a B-spline skeleton and a specified radial profile) and match its projections ...
The biol. function of the aspartic protease from HIV-1 has recently been related to the conformational flexibility of its structural scaffold. Here, we use a multistep strategy to investigate whether the same mechanism affects the functionality in the peps ...
The interface between two immiscible electrolyte solutions provides a well-defined framework for fundamental studies of heterogeneous charge transfer processes. Recent developments in experimental methodology have allowed addressing the kinetics of electro ...
Electronic states and solvation of Cu and Ag aqua ions are investigated by comparing the Cu2+ + e- -> Cu+ and Ag2+ + e- -> Ag+ redox reactions using d. functional-based computational methods. The coordination no. of aq. Cu2+ is found to fluctuate between 5 ...
Two novel cyanine-fullerene dyads have been synthesized by means of the Prato reaction from the corresponding cyanine-aldehyde, N-methylglycine and C60. As well as a thorough characterization using MS-TOF, 1H-NMR, 13C-NMR a ...