Cation-pi interactions in aromatics of biological and medicinal interest: Electrostatic potential surfaces as a useful qualitative guide

The cation-pi interaction is an important, general force for molecular recognition in biological receptors. Through the sidechains of aromatic amino acids, novel binding sites for cationic ligands such as acetylcholine can be constructed. We report here a number of calculations on prototypical cation-pi systems, emphasizing structures of relevance to biological receptors and prototypical heterocycles of the type often of importance in medicinal chemistry. Trends in the data can be rationalized using a relatively simple model that emphasizes the electrostatic component of the cation-pi interaction. In particular, plots of the electrostatic potential surfaces of the relevant aromatics provide useful guidelines for predicting cation-pi interactions in new systems

Braincase With Natural Endocast of a Juvenile Rhinocerotinae From the Late Middle Pleistocene Site of Melpignano (Apulia, Southern Italy)

Cranial remains of juvenile fossil rhinoceroses are rarely described in literature and very few is known about the ontogenetic development of their inner anatomy. In this study, we report the first CT based description of a juvenile braincase and its natural brain endocast of a late Middle Pleistocene Rhinocerotinae from Melpignano (Apulia, Italy). The specimen belongs to an individual about 12–18 months old, representing to date the youngest Pleistocene rhinoceros of Mediterranean Europe documented by neurocranial material. Through digital visualization methods the neurocranium has been restored and the anatomy of both the brain and the paranasal sinuses has been obtained and compared with those of juvenile and adult Pleistocene rhinoceroses. We evidence a different morphological development of the inner cranial anatomy in fossil and extant African species

Nonlinear propagation equations in fibers with multiple modes—Transitions between representation bases

The transverse pattern of the field that propagates in a fiber supporting multiple modes can always be described as a superposition of the patterns of the individual fiber modes. Yet, the use of other bases is often found to be more convenient, with the most famous example being that of linearly polarized modes in weakly guiding fibers. The nonlinear propagation equations contain coefficients that involve overlap integrals between the lateral profiles of multiple propagation modes. A fundamental question that has been raised in this context is whether it is legitimate to compute these coefficients from the overlap integrals between elements of alternative bases for the field representation. In this paper, we show that the answer to this question is positive in the most general sense. This result is significant in the context of space-division multiplexed transmission in multi-mode and multi-core fibers.The transverse pattern of the field that propagates in a fiber supporting multiple modes can always be described as a superposition of the patterns of the individual fiber modes. Yet, the use of other bases is often found to be more convenient, with the most famous example being that of linearly polarized modes in weakly guiding fibers. The nonlinear propagation equations contain coefficients that involve overlap integrals between the lateral profiles of multiple propagation modes. A fundamental question that has been raised in this context is whether it is legitimate to compute these coefficients from the overlap integrals between elements of alternative bases for the field representation. In this paper, we show that the answer to this question is positive in the most general sense. This result is significant in the context of space-division multiplexed transmission in multi-mode and multi-core fibers

Fokker-Planck equation approach to the description of soliton statistics in optical fiber transmission systems

We derive rigorously the Fokker-Planck equation that governs the statistics of soliton parameters in optical transmission lines in the presence of additive amplifier spontaneous emission. We demonstrate that these statistics are generally non-Gaussian. We present exact marginal probability-density functions for soliton parameters for some cases. A WKB approach is applied to describe the tails of the probability-density functions

Nonclassical correlations in damped quantum solitons

Using cumulant expansion in Gaussian approximation, the internal quantum statistics of damped soliton-like pulses in Kerr media are studied numerically, considering both narrow and finite bandwidth spectral pulse components. It is shown that the sub-Poissonian statistics can be enhanced, under certain circumstances, by absorption, which damps out some destructive interferences. Further, it is shown that both the photon-number correlation and the correlation of the photon-number variance between different pulse components can be highly nonclassical even for an absorbing fiber. Optimum frequency windows are determined in order to realize strong nonclassical behavior, which offers novel possibilities of using solitons in optical fibers as a source of nonclassically correlated light beams.Comment: 15 pages, 11 PS figures (color