Highly accurate and precise crystal structures of methyl R-D-arabinofuranoside, methyl â-D-ribofuranoside, methyl R-D-lyxofuranoside, and methyl R-D-xylofuranoside have been determined at 100 K by X-ray crystallography. The structures of methyl R-D-arabinofuranoside and methyl â-D-ribofuranoside have also been determined at 15 K by neutron diffraction. Equilibrium (re) geometries of the same co...

The 1H and natural-abundance 13C-NMR spectra of 1-thiacyclooctan-3-one (1) have been measured from 25 to -100°C. Coalescence is observed in the 1H-NMR spectra of (1) at about -80°C, and attributed to ring inversion in a boat-chair conformation, which is the predominant conformation of (1). The free energy of activation (DG¹</s...

The profile of chemical potential of benzene fluid has been investigated using Anisotropic United Atom (AUA) model. A Monte Carlo simulation in canonical ensemble was done to obtain the isotherm of benzene fluid, from which the excess part of chemical potential was calculated. A surge of potential energy is observed during the simulation at high temperature which is related to the gas-liquid ph...

Sugars are clearly of biochemical interest as cellular energy fuels, metabolic intermediates, mediators of cellular interactions, or structural building blocks. Recently the interest in sugars has been boosted by the quest for organic molecules in interstellar space. The detection of prebiotic building blocks is relevant both to cosmochemistry and biology, since it could trace the construction ...

A summary of the most recent advances to the design of pronucleotides will be presented. Approaches that have been designed to be activated by enzymes such as carboxyesterases [bis(POM)-, bis(POC)-, bis(SATE)-, bis(AB) phosphotriesters and the arylphosphoramidates] or by reductases [bis(SDTE) approach] will be discussed as well as the amino acids phosphoramidate diester concept with its still u...

The glossary contains de®nitions and explanatory notes for more than 450 terms used in the context of multidisciplinary research and publications related to applications of modern theoretical concepts, computational and graph-theoretical methods to investigation into structure, reactivity, spectroscopic and other physical and physicochemical properties of organic, organometallic and metal coord...