The first structure of an aromatic bis(trifluoroborate) dipotassium salt, elucidated by the combination of crystallography, DFT calculations, topological and non-covalent interaction analysis, discloses a 3D network undergoing spontaneous self-assembly thanks to the massive participation of weak intra- and intermolecular interactions for which fluorine atoms proved to play a leading role.

The conformational population of Z and E isomers of the amide bond in N-acetyl oxazolidines is dictated by the electronic nature of the vicinal aryl ring. Experimental and theoretical data support a rationale based on a strong and stereodirecting charge-charge interaction that should be added to the arsenal of non-covalent interactions and whose influence can be more important than once thought.

Reversible clusters of nanobiocatalysts are developed via non-covalent interaction among enzyme-bound iron oxide magnetic nanoparticles. Dissociation of the clusters by shaking during biotransformation enables high catalytic performance, and re-clustering by stopping shaking after reaction allows for easy magnetic separation. The novel concept is demonstrated with alcohol dehydrogenase RDR for ...

The dinuclear title compound, [Pb(2)(C(6)H(8)O(4))(NO(3))(2)(C(19)H(13)N(5))(2)], lies with the mid-point of the butyl chain of the bridging adipate unit on a center of inversion. The Pb(II) ion is covalently bonded to the nitrate anion and is bonded to a carboxyl-ate group of the adipate unit by another covalent bond. The N-heterocycle functions in a chelating tridentate mode. The metal atom e...

An HPLC assay is described that can be used to study the covalent bonding interaction of carbinolamine-containing pyrrolo[2,1-c][1,4]benzodiazepines with the model nucleophile thiophenol, in order to evaluate electrophilicity at the C-11-position. Preliminary experiments with anthramycin, tomaymycin and neothramycin show that their reaction with thiophenol follows second-order kinetics, but the...

The solvothermal synthesis and crystal structure of [bis(thiocyanato-?N)bis(tris(pyridin-2-yl-?N)amine)iron(II)] ( 1 ) are described. obtained was i subjected to theoretical analysis interaction energies intra- intermolecular bonding. This comprehensive study illustrates the richness non-covalent interactions that exhibited by nitrile anionmetal complexes. neutral complex lies on a crystallogra...

he present art of drug discovery and design of new drugs is based on suicidal irreversible inhibitors. Covalent inhibition is the strategy that is used to achieve irreversible inhibition. Irreversible inhibitors interact with their targets in a time-dependent fashion, and the reaction proceeds to completion rather than to equilibrium. Covalent inhibitors possessed some significant advantages ov...