Fractional Sobolev Metrics on Spaces of Immersed Curves

Motivated by applications in the field of shape analysis, we study reparametrization invariant, fractional order Sobolev-type metrics on the space of smooth regular curves Imm(S1 , R ) and on its Sobolev completions ℐ (S1 , R ). We prove local well-posedness of the geodesic equations both on the Banach manifold ℐ (S1 , R ) and on the Fr´echetmanifold Imm(S1 , R ) provided the order of the metric is greater or equal to one. In addition we show that the -metric induces a strong Riemannian metric on the Banach manifold ℐ (S1 , R ) of the same order , provided > 3 2 . These investigations can be also interpreted as a generalization of the analysis for right invariant metrics on the diffeomorphism group

Defining the hydrogen bond: An account (IUPAC Technical Report)

The term "hydrogen bond" has been used in the literature for nearly a century now. While its importance has been realized by physicists, chemists, biologists, and material scientists, there has been a continual debate about what this term means. This debate has intensified following some important experimental results, especially in the last decade, which questioned the basis of the traditional view on hydrogen bonding. Most important among them are the direct experimental evidence for a partial covalent nature and the observation of a blue-shift in stretching frequency following X-H···Y hydrogen bond formation (XH being the hydrogen bond donor and Y being the hydrogen bond acceptor). Considering the recent experimental and theoretical advances, we have proposed a new definition of the hydrogen bond, which emphasizes the need for evidence. A list of criteria has been provided, and these can be used as evidence for the hydrogen bond formation. This list is followed by some characteristics that are observed in typical hydrogen-bonding environments. © 2011 IUPAC

Definition of the hydrogen bond (IUPAC Recommendations 2011)

A novel definition for the hydrogen bond is recommended here. It takes into account the theoretical and experimental knowledge acquired over the past century. This definition insists on some evidence. Six criteria are listed that could be used as evidence for the presence of a hydrogen bond. © 2011 IUPAC

Structural characterization of agmatine at physiological conditions

Abstract The present work aims at determining the structure–activity relationships (SAR’s) which rule the biological function of agmatine (4-(aminobutyl)guanidinium, AGM), a biogenic amine produced by decarboxylation of arginine. Its structural preferences, both as an isolated molecule and in aqueous solution (namely at physiological conditions) were ascertained, by vibrational (Raman) spectroscopy coupled to theoretical (density functional) calculations. An evaluation of mitochondrial functions (membrane potential (??), mitochondrial swelling, and cytochrome c release) in rat liver mitochondria (RLM) was also carried out. The results thus obtained, coupled to the conformational analysis performed for the distinct polyamine protonation states, allowed to individualize the agmatine structures which interact with the mitochondrial site responsible for its transport and for the protection against mitochondrial permeability transition (MPT) induction, as well as to gain information on the specific mechanisms involved