Spectroscopic investigation and molecular modeling on porphyrin/PAMAM supramolecular adduct

Noncovalent adducts (TPPC@PAMAM) between meso-tetrakis(4-carboxyphenyl)porphyrin (TPPC) and polyamidoamine PAMAM dendrimer (generation 2.0) have been obtained by simply mixing the two components at different stoichiometric amount. The resulting species are readily soluble and stable in aqueous solution up to millimolar concentration. Electrostatic interactions between the anionic carboxylate groups of TPPC and the protonated amino groups of the PAMAM dendrimer play an important role in the stabilization of these adducts. UV/Vis absorption, steady state and time-resolved fluorescence emission and anisotropy measurements suggest the presence of equilibria involving different species as function of the [PAMAM]/[TPPC] ratio. At low ratios the observed spectroscopic behavior evidence the presence of H-aggregates, while at higher ratios well-defined species containing monomeric TPPC strongly interacting with the charged dendrimer are formed. Docking of the binary supramolecular adduct further supports the experimental results showing a favorable interaction with the porphyrin being completely included in the dendrimer. The interaction of the binary TPPC@PAMAM adduct (1/1 ratio) with calf-thymus DNA has been investigated through spectroscopic and photophysical techniques. All the experimental results point to the formation of a ternary complex between the binary adduct and the DNA backbone.     

Micropolar nematic model for polarized liquid crystals

A micromorphic electroelastic model for polarized liquid crystals is proposed on the basis of a representation of electric multipoles in terms of microdeformation. Nematic liquid crystals are modeled as micropolar continua endowed with intrinsic electric dipole and quadrupole. A nonlinear dimensionless problem for a homogeneous nematic layer is formulated and solved numerically. The existence of a threshold electric potential is discussed, and the corresponding linearized system is also obtained to compare results on small values of deformation and electric field. Differently from common results of the classical continuum approach, asymmetric deformations and electric potentials within the layer are obtained due to the occurrence of non-null intrinsic quadrupole.     

Non-maturing deposits modelling in a Ornstein-Uhlenbeck framework

This paper builds a multivariate Lévy-driven Ornstein-Uhlenbeck process for the management of non-maturing deposits, that are a major source of funding for banks. The contribution of the paper is both theoretical and operational. On the theoretical side, the novelty of this model is to include three independent sources of randomness in a Lévy framework: market interest rates, deposit rates and deposit volumes. The choice of a Lévy background driving process allows us to model rare but severe events. On the operational side, we propose a procedure to include severe volume outflows with positive probability in future scenarios simulation, explaining its implementation with an illustrative example using Italian banking sector data.