Gender Differences in Pharmacokinetics: A Perspective on Contrast Agents.

Gender is an important risk factor for adverse drug reactions. Women report significantly more adverse drug reactions than men. There is a growing consensus that gender differences in drug PK is a main contributor to higher drug toxicity in women.

Haddon's POAV2 vs POAV theory for non-planar molecules.

In this note, we give a self-contained presentation of the POAV2 theory developed by Haddon to study the alignment of π-orbitals along a non-planar molecule. The classical POAV theory is purely geometric instead of the POAV2 which includes more physics in the computations. We compare the results obtained from the POAV2 and POAV theory.

Generation of Helical States - Breaking of Symmetries, Curie's Principle, and Excited States.

Herein, we deeply detail for the very first time mathematical concepts behind the generation of helical molecular orbitals (MOs) for linear chains of atoms. We first give a definition of helical MOs and we provide an index measuring how far a given helical states is from a perfect helical distribution. Structural properties of helical distribution for twisted -cumulene and cumulene version of Möbius systems are given.

Relating the molecular topology and local geometry: Haddon's pyramidalization angle and the Gaussian curvature.

The pyramidalization angle and spherical curvature are well-known quantities used to characterize the local geometry of a molecule and to provide a measure of regio-chemical activity of molecules. In this paper, we give a self-contained presentation of these two concepts and discuss their limitations. These limitations can bypass, thanks to the introduction of the notions of angular defect and discrete Gauss curvature coming from discrete differential geometry.