NMR water self‐diffusion and relaxation studies on sodium polyacrylate solutions and gels in physiologic ionic solutions

Water self‐diffusion coefficients and longitudinal relaxation rates in sodium polyacrylate solutions and gels were measured by NMR, as a function of polymer content and structure in a physiological concentration range of monovalent and divalent cations, Ca²⁺ and Na⁺. Several physical models describing the self‐diffusion of the solvent were applied and compared. A free‐volume model was found to be in good agreement with the experimental results over a wide range of polymer concentrations. The longitudinal relaxation rate exhibited linear dependence on polymer concentration below a critical concentration and showed non‐linear behavior at higher concentrations. Both the water self‐diffusion and relaxation were less influenced by the polymer in the gel state than in the uncrosslinked polymer solutions. The effect of Na⁺ on the mobility of water molecules was practically undetectable. In contrast, addition of Ca²⁺ strongly increased the longitudinal relaxation rate while its effect on the self‐diffusion coefficient was much less pronounced. © 2013 Wiley Periodicals, Inc. J. Appl. Polym. Sci., 2014 , 131, 40001.     

SEM and EDS investigation of a pyrolytic carbon covered C/C composite maxillofacial implant retrieved from the human body after 8 years

The long term effect of the human body on a pyrolytic carbon covered C/C composite maxillofacial implant (CarBulat^Tm) was investigated by comparing the structure, the surface morphology and composition of an implant retrieved after 8 years to a sterilized, but not implanted one. Although the thickness of the carbon fibres constituting the implants did not change during the 8 year period, the surface of the implant retrieved was covered with a thin surface layer not present on the unimplanted implant. The composition of this layer is identical to the composition of the underlying carbon fibres. Calcium can only be detected on the surface as a trace element implying that the new layer is not formed by bone tissue. Residual soft tissue penetrating the bulk material between the carbon fibre bunches was found on the retrieved implant indicating the importance of the surface morphology in tissue growth and adhering to implants.     

Experimental modeling of colour harmony

This study investigates colour harmony in visual experiments in order to develop a new quantitative colour harmony model. On the basis of new experimental results, colour harmony formulae were developed to predict colour harmony from the CIECAM02 hue, chroma, and lightness correlates of the members of two‐ or three‐colour combinations. In the experiments, observers were presented two‐ and three‐colour combinations displayed on a well‐characterized CRT monitor in a dark room. Colour harmony was estimated visually on an 11 category scale from ?5 (meaning completely disharmonious) to +5 (meaning completely harmonious), including 0 as the neutral colour harmony impression. From these results, mathematical models of colour harmony were developed. The visual results were also compared with classical colour harmony theories. Two supplementary experiments were also carried out: one of them tested the main principles of colour harmony with real Munsell colour chips, and another one compared the visual rating of the new models with existing colour harmony theories. © 2009 Wiley Periodicals, Inc. Col Res Appl, 2010.     

Empirical validation of object-oriented metrics on open source software for fault prediction

Open source software systems are becoming increasingly important these days. Many companies are investing in open source projects and lots of them are also using such software in their own work. But, because open source software is often developed with a different management style than the industrial ones, the quality and reliability of the code needs to be studied. Hence, the characteristics of the source code of these projects need to be measured to obtain more information about it. This paper describes how we calculated the object-oriented metrics given by Chidamber and Kemerer to illustrate how fault-proneness detection of the source code of the open source Web and e-mail suite called Mozilla can be carried out. We checked the values obtained against the number of bugs found in its bug database - called Bugzilla - using regression and machine learning methods to validate the usefulness of these metrics for fault-proneness prediction. We also compared the metrics of several versions of Mozilla to see how the predicted fault-proneness of the software system changed during its development cycle.     

Biomonitoring of mercury in the Kastela Bay using transplanted mussels

Kastela Bay, located on the central part of east Adriatic coast, is heavily contaminated by mercury. The main source of contamination was a chlor-alkali plant, which was operating for 40 years since 1949. Previous studies showed that mercury concentrated in the sediment close to the plant is being dispersed throughout the bay by remobilization processes. Subsequent remobilization of mercury buried in the sediment may be harmful to various marine organisms. In order to assess the availability of remobilised mercury to marine organisms and to assess the health risk of consumption of shellfish species from the bay, a monitoring programme was initiated in September 1997. One thousand six hundred specimens of mussels (Mytilus galloprotincialis) of the same size and age, collected in a very clean area, were transferred to four stations in the bay 1.5 m above the sea bottom. Every month during the summer period and every second month in the winter period, 50 mussels were taken from each station for the analysis of mercury and monomethylmercury (MeHg) content. The results obtained during 1 year of biomonitoring suggest that the equilibrium concentration in transplanted mussels was established in a relative short period of time. The digestive gland is preferential organ for the accumulation of total mercury. Seasonal variation of mercury content both in the whole soft tissue, and organs (gills and digestive gland) was observed at all stations. However, methyl mercury is more concentrated in soft tissues than in digestive gland and gills, despite the fact that it is absorbed through these organs. The mercury levels in tissues were below accepted limits for human consumption. Obtained results showed that the implantation of mussels in an area containing sediment contaminated by mercury may be a good monitoring tool for the assessment of the availability of remobilised mercury to marine organisms.     

Theoretical investigation of catalytic HCO3 hydrogenation in aqueous solutions

Density functional theory along with a dielectric continuum solvation model has been applied to identify possible reaction intermediates for the catalytic hydrogenation of HCO₃⁻ anion into HCO₂⁻ that occurs in aqueous solutions in the presence of water-soluble ruthenium complexes. Bicarbonate ion is shown to coordinate to a Ru-dihydride species, which then undergoes a protonation process that yields a CO₂ complex. The CH bond formation is found to take place via CO₂ insertion into a RuH bond and the direct elimination of the formate product is shown to be an energetically favored step, which is assisted by the water medium. We find that water is directly involved in the reaction as a protonating/deprotonating agent and also acts as a coordinating ligand.