Single crystal neutron diffraction is one of the powerful methods to obtain structure information, including that hydrogen atoms. The IBARAKI biological diffractometer called iBIX a high-performance time-of-flight single elucidate hydrogen, protonation and hydration structures macromolecules in various life processes. Most notably merit observation atoms states. From remarkable results by iBIX,...

The structure of the genetic code implies strict Watson-Crick base pairing in the first two codon positions, while the third position is known to be degenerate, thus allowing wobble base pairing. Recent crystal structures of near-cognate tRNAs accommodated into the ribosomal A-site, however, show canonical geometry even with first and second position mismatches. This immediately raises the ques...

The tautomerase superfamily consists of three major families represented by 4-oxalocrotonate tautomerase (4-OT), 5-(carboxymethyl)-2-hydroxymuconate isomerase (CHMI), and macrophage migration inhibitory factor (MIF). The members of this superfamily are structurally homologous proteins constructed from a simple beta-alpha-beta fold that share a key mechanistic feature; they use an amino-terminal...

BACKGROUND Cyanoform is long known as one of the strongest acid. Cyanoform is only stable below -40 °C. The issue of the stability and tautomeric equilibria of cyanoform (CF) are investigated at the DFT and MP2 levels of theory. The present work presents a detailed study of structural tautomer interconversion in three different media, namely, in the gas phase, in a solvent continuum, and in a m...

Single walled nanotubes (SWNT) are common interested nanovehicle to make biosensors more sensitive. Carbon nanotubes (CNTs) have many distinct properties make them to be exploited to develop the next generation of such nano sensors .The Keto-Enol tautomerization is one of the most common investigated subjects of isomerism in this regards, sensors are devices that are able to detect and change t...

The gas-phase thermal tautomerization reaction between 2-hydroxypyridine (2-HPY) and 2-pyridone (2-PY) was investigated by applying 6-311++G** and aug-cc-pvdz basis sets incorporated into some density functional theory (DFT) and coupled cluster with singles and doubles (CCSD) methods. The geometrical structures, dipole moments, HOMO-LUMO energy gaps, total hyperpolarizability, kinetics and ther...