The finding that the hydration of fumarate in deuterium oxide, as catalyzed by pig heart fumarase, resulted in monodeutero-nmalate, and that prolonged incubations did not lead to any appreciable isotope incorporation into fumarate, established the stcreospecific nature of this reaction (l-3). Through the application of the proton magnetic resonance solid state method, Farrar et al. (4) showed t...

The concept of a double-bonded pancake bonding mechanism is introduced to explain the extremely short π-π stacking contacts in dimers of dithiatriazines. While ordinary single pancake bonds occur between radicals and already display significantly shorter interatomic distances in comparison to van der Waals (vdW) contacts, the double-bonded pancake dimer is based on diradicaloid or antiaromatic ...

In the title compound, C(18)H(19)BrN(2)O, the seven-membered azepine ring adopts a twist-boat conformation: the bond angles about the azepine N atom are indicative of sp(2) hybridization. The dihedral angle between the plane of the carbon-carbon double bond of the enone unit and the mean plane of the indole ring is 27.8 (1)°. In the crystal, an N-H⋯O hydrogen bond links the mol-ecules into chai...

A new class of polymerizations was developed via metal-catalyzed C-C bond forming radical polyaddition; the monomers were designed to have a reactive C-Cl bond, which can be activated by the metal catalysts to generate a carbon radical species, along with a C=C double bond, to which the carbon radical generated from another molecule adds to form a C-C backbone polymer with an inactive C-Cl pend...

In the title compound, C(23)H(22)ClN(3)O, the benzene ring of the 4-chorobenzyl group makes a dihedral angle of 78.56 (6)° with the best plane of the indole ring. The double bond connecting the aza-bicyclic and indole groups adopts a Z geometry. The geometry adopted by the C=N bond with respect to the N-OH bond is trans. The absolute configuration of the compound was determined from refinement ...

The contribution of a specific hydrogen bond in apoflavodoxin to protein stability is investigated by combining theory, experiment and simulation. Although hydrogen bonds are major determinants of protein structure and function, their contribution to protein stability is still unclear and widely debated. The best method so far devised to estimate the contribution of side-chain interactions to p...

Atomistic-level understanding of the interaction of α,β-unsaturated aldehydes and their derivatives with late transition metals is of fundamental importance for the rational design of new catalytic materials with the desired selectivity towards C[double bond, length as m-dash]C vs. C[double bond, length as m-dash]O bond partial hydrogenation. In this study, we investigate the interaction of acr...

Phoslactomycins (PLMs), exemplified by PLM B (Figure 1), are a unique class of antitumor, antiviral, and antifungal polyketide natural products.1,2 The antitumor activity of PLMs is attributed to a potent and selective inhibition of protein Ser/Thr phosphatase 2A (PP2A).3 The PLM biosynthetic gene cluster from Streptomyces sp. HK803 has been cloned and sequenced.4 The PLM polyketide synthase (P...