The absolute configuration of haem A, the prosthetic group of cytochrome c oxidase, was determined to be S by analysis of the bond angles surrounding the chiral centre of haem A after refinement with X-PLOR starting from respective initial structures with R and S configurations under absolute configuration constraints at 1.8 Angstrom resolution. The same result was obtained by refinement at 1.8...

When a strong laser field ionizes atoms (or molecules), the electron wave packet that tunnels from the molecule moves under the influence of the strong field and can re-collide with its parent ion. The maximum re-collision electron kinetic energy depends on the laser wavelength. Timed by the laser field oscillations, the re-colliding electron interferes with the bound state wave function from w...

The structures of the hydrated scandium(III) ion and of the hydrated dimeric hydrolysis complex, [Sc2(mu-OH)2]4+, in acidic aqueous solutions have been characterized by X-ray absorption fine structure (XAFS) and large-angle X-ray scattering (LAXS) methods. Comparisons with crystalline reference compounds containing hydrated scandium(III) ions in well characterized six-, seven- and eight-coordin...

Context. Collecting a large variety of exoplanetary atmosphere measurements is crucial to improve our understanding exoplanets. In this context, it likely that the field would benefit from broad species surveys, particularly using transit spectroscopy, which most successful technique characterization so far. Aims: Our goal develop model-unbiased spectroscopy analyze every qualified atomic spect...

Structures of a 10-subunit yeast RNA polymerase II have been derived from two crystal forms at 2.8 and 3.1 angstrom resolution. Comparison of the structures reveals a division of the polymerase into four mobile modules, including a clamp, shown previously to swing over the active center. In the 2.8 angstrom structure, the clamp is in an open state, allowing entry of straight promoter DNA for th...

Voltage-gated ion channels respond to changes in membrane potential by movement of their voltage sensors across the electric field between cytoplasmic and extracellular solutions. The principal voltage sensors in these proteins are positively charged S4 segments. The absolute magnitude of S4 movement discriminates two competing classes of gating models. In one class, the movement is <10 Angstro...

Bacteriophage G4 and phiX174 are members of the Microviridae family. The degree of similarity of the structural proteins ranges from 66% identity of the F protein to 40% identity of the G protein. The atomic structure of the phiX174 virion had previously been determined by X-ray crystallography. Bacteriophage G4 procapsids, consisting of the structural proteins F, G, D, B, H, and small traces o...

Recently, we proposed a combination of molecular dynamics (MD) simulation with the threedimensional reference interaction site model (3D-RISM) theory, i.e. MD/3D-RISM method [1]. We extend this combination method to a thermodynamic integration method to calculate the free energy differences between different states in solution. Regarding this extension, we develop two computational tools: i.e. ...

We reported previously that unsaturated linear-chain fatty acids of the cis-configuration with a C18-hydrocarbon chain such as linoleic acid (cis-9, 12-octadecadienoic acid, C18:2) could potently inhibit the activity of mammalian DNA polymerases (Biochim Biophys Acta 1308: 256-262, 1996). In this study, we investigated the inhibitory effects of cis-type C22-fatty acids including cis-7,10,13,16,...

a new polymorph crystalline silica composition having uniform pore dimensions were synthesized by calcining a crystalline hydrated alkyl-ammonium silicate. the pore dimensions approximately were 6 angstrom for silicalite-1 and 11 angstrom for silicalite-2 units. the silicalite-1 was prepared hydrothermally at a ph of about 10 from a reaction mixture consist of water, amorphous silica and a quat...