ABSTRACT
We report an ab initio quantum mechanical study on the interaction of M(n)()(+) cations (M(n)()(+) = La(3+), Eu(3+), Yb(3+), Sr(2+), and Na(+)) with model ligands L for lanthanide or actinide cations: several substituted amides, pyridines, and the phosphoryl-containing OPPh(3) ligand. The interaction energies DeltaE follow trends expected from the cation hardness and ligand basicity or softness in the amide series (primary < secondary-cis < secondary-trans < tertiary) as well as in the pyridine series (para-NO(2) < H < Me < NMe(2)). Among all ligands studied, OPPh(3) is clearly the best, while the (best) tertiary amide binds lanthanides slightly less than the (best) pyridine-NMe(2) ligand. In the lanthanide 1:1 complexes, the energy differences DeltaDeltaE as a function of M(3+) (about 40 kcal/mol for all ligands) are less than DeltaDeltaE in the pyridine series (up to about 90 kcal/mol) where marked polarization effects are found. The conclusions are validated by a number of methodological investigations. In addition to optimal binding features, we also investigate the directionality of ion coordination to the ligands and the effect of counterions and stoichiometry on the structural, electronic and energetic features of the complexes. The results are discussed in the context of modeling complexes of lanthanide and actinide cations and compared to those obtained with analogous Na(+) and Sr(2+) complexes.
ABSTRACT
2300 veal calves were used to compare the ability of chromameters to measure the veal meat color on-line and to develop a relationship between instrumental and visual assessments to predict the color score according to the EC-system of classification. The meat color was assessed subjectively by 3 trained judges and objectively by 2 chromameters CR300 and CR310, 45 min post mortem on the Rectus abdominis, on the external side, skin having been removed. R(2) values reached 0.70 for the CR300 and 0.75 for the CR310. The equations of prediction classified correctly up to 87% of carcasses. These data indicate that chromameters (Minolta CR310 and CR300) can be used on-line to measure objectively veal meat color at the end of the slaughterline.
