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Application of a high-throughput process analytical technology metabolomics pip...

Abstract Metabolomics aims at gathering the maximum amount of metabolic information for a total interpretation of biological systems. A process analytical technology pipeline, combining gas chromatography�mass spectrometry data preprocessing with multivariate analysis, was applied to a Port wine �forced ageing� process under different oxygen saturation regimes at 60 �C. It was found that extreme �forced ageing�...

First Principles Study of Copper Sulfides (for applications as photoconductors)

The Tetrahedrite’s family constitutes a complete solid-solution series, and is among the most frequent complex sulfides in Nature. This kind of structure can be generically expressed by the composition, Cu12Sb4S13. We have calculated the electronic band structure of Cu12Sb4S13 and Ag6Cu6Sb4S13 (with band gaps of 1.24 and 1.20 eV, respectively) to demonstrate that different elements occupying certain sites...

First Principles Calculations and Experiments to Determine the Hydrogenation Pr...

Density Functional Theory (DFT) calculations were performed. They were firstly implemented to optimize the structure and refine the stoichiometry of the only ternary compound, CuLi0.08Mg1.92 of the Cu-Li-Mg system. Furthermore using DFT, several possible structures of CuMg2Hx were optimized. Since most of the hydrides are cubic structures or can be considered as distortions of a cubic structure, we have started...

Experimental and First Principles Study of the Ni-Ti-W System

Nickel based superalloys are structural materials with a chemical composition and structure which has been developed to enable good high temperature performances leading to a wider range of applications. Their unique properties are due to their microstructure characterized by the coexistence of L12-ordered intermetallic precipitates like Ni3Al or Ni3Ti - γ’ phase - in a facecentered cubic nickel base...

First Principles calculations and experiments for Cu-Mg/Li hydrides negative el...

Hydrides of Cu and Mg Intermetallic Systems: Characterization, Catalytic Functi...

Study of the Cu–Li–Mg–H system by thermal analysis

Shelf-Ocean material exchange influencing the Atlantic chemical composition off...

Rivers are the main conduit of sediment to the shelf. The basin geology, the drainage area and the discharge rate are the major factors that determine their sediment load (Milliman and Syvistski, 1992). Besides suspended particles, dissolved components may also give some information on the eroded crust. Sr isotopes in carbonate shells of biological organisms have been used to study, in the geological record, th...

Neutron powder diffraction and first-principles computational studies of CuLi(x...

Segurança do trabalho em unidades de beneficiamento de frutas e hortaliças.

2009