Selecting an agricultural technology package based on the flexible and interactive tradeoff method

Annals of Operations Research - The aim of this paper is to solve an agricultural technology packages selection problem by considering multiple dimensions which influence a maize producer’s...     

Inverse photoinduced electron transfer in large betaine molecules

We have used ab initio methods to confirm the existence of an inversion in the photoinduced intramolecular electron transfer in large conjugated pyridinium betaines, by examining compounds where an imidazole ring and a pyridinic group are connected by polyenic chains of increasing size. As these intermediary conjugated bridges get longer, an unusual net charge transfer is observed. The conjugated chain becomes a channel for the photoinduced electronic density flow, and the amount of charge at the donor and acceptor groups is reduced, while an inversion in the spatial localization of the frontier orbitals occurs. We discuss the corresponding implications on the nonlinear optical, photochemical and solvatochromic properties of these molecules.     

Sequential reactions from catalytic hydroformylation toward the synthesis of amino compounds

Different families of new amino compounds were efficiently synthesized, through optimized sequential processes, involving rhodium catalyzed hydroformylation as the key step. The selection of appropriate hydroformylation catalytic systems and reaction conditions allowed obtaining aldehydes derived from several n-alkyl olefins, cholest-4-ene and 3-vinyl-1H-indole, which were subsequently transformed, in one-pot, in to α-amino acids via hydroformylation/Strecker reaction, and in to tertiary amines via hydroaminomethylation, with excellent yields.     

Integral equation formulation for buoyancy-driven convection problems

An integral equation formulation for buoyancy-driven convection problems is developed and illustrated. Buoyancy-driven convection in a bounded cylindrical geometry with a free surface is studied for a range of aspect ratios and Nusselt numbers. The critical Rayleigh number, the nature of the cellular motion, and the heat transfer enhancement are computed using linear theory. Green's functions are used to convert the linear problem into linear Fredholm integral equations. Theorems are proved which establish the properties of the eigenvalues and eigenfunctions of the linear integral operator which appears in these equations.