In the title polymeric compound, [Cd(C(9)H(12)O(4))(C(10)H(8)N(2))](n), the Cd(II) atom is located on a twofold rotation axis and is coordinated by two 4,4'-bipyridine ligands and two 2,2-dimethyl-cyclo-pentane-1,3-dicarboxyl-ate ions. The carboxyl-ate ion and the N-heterocycle both function as bridges to link adjacent Cd(II) atoms to result in the formation of a layer structure parallel to (01...

PDZ domains are protein-protein interaction modules that normally recognize short C-terminal peptides. The apparent requirement for a ligand with a free terminal carboxylate group has led to the proposal that electrostatic interactions with the terminus play a significant role in recognition. However, this model has been called into question by the more recent finding that PDZ domains can recog...

We report the results of a Born-Oppenheimer molecular dynamics study on an L-alanine amino acid in neutral aqueous solution. The whole system, the L-alanine zwitterion and 50 water molecules, was treated quantum mechanically. We found that the hydrophobic side chain (R = CH3) defines the trajectory path of the molecule. Initially fully hydrated in an isolated droplet of water, the amino acid mo...

The IR low-temperature Ar and Kr matrix spectra of l-isoserine were registered for the first time and interpreted by means of the anharmonic DFT frequencies calculated at the B3LYP/aug-cc-pVTZ and B3LYP/aug-cc-pVDZ levels. 54 l-isoserine conformers were predicted to be stable at the B3LYP/aug-cc-pVDZ level. Population of the 8 most stable conformers was based on the QCISD/aug-cc-pVDZ energies, ...

BACKGROUND The neuraminidase (NA) inhibitor oseltamivir is widely used to treat patients infected with influenza viruses. An Ile-to-Val change at position 117 in influenza A virus subtype H5N1 NA (NA-I117V) confers a reduction in susceptibility to oseltamivir carboxylate. However, the in vivo relevance and molecular basis of the decreased sensitivity mediated by this mutation are poorly underst...

In this study, the fabrication of nickel (Ni)-cellulose nanofiber (CNF) composite electroplating films was attempted using sodium carboxymethyl cellulose (CMC) and 2,2,6,6-tetramethylpiperidine 1-oxyl (TEMPO)-oxidized CNF as introduced with carboxy groups. As a result, co-deposition confirmed for both CNFs, former showed 82% improvement in surface Vickers hardness compared to plated film deposi...

We have studied in the rabbit reticulocyte and the pigeon erythrocyte the interactions between Na+ and various neutral amino acids with respect to transport by an apparently ubiquitous Na+-dependent system that prefers the linear aliphatic and hydroxy aliphatic amino acids. In the series, alanine to norleucine, stronger and stronger apolar bonding to the transport site with increasing chain len...

The crystal structure of a periplasmic l-aspartate/l-glutamate binding protein (DEBP) from Shigella flexneri complexed with an l-glutamate molecule has been determined and refined to an atomic resolution of 1.0 A. There are two DEBP molecules in the asymmetric unit. The refined model contains 4462 non-hydrogen protein atoms, 730 water molecules, 2 bound glutamate molecules, and 2 Tris molecules...

AIMS The aims of the present study were to compare the pharmacokinetics of oseltamivir and its active antiviral metabolite oseltamivir carboxylate in obese and non-obese individuals and to determine the effect of obesity on the pharmacokinetic properties of oseltamivir and oseltamivir carboxylate. METHODS The population pharmacokinetic properties of oseltamivir and oseltamivir carboxylate wer...

Antiferromagnetically coupled Mn(III)Mn(IV) dimers have been commonly used to study biological systems that exhibit complex exchange interactions. Such is the case for the oxygen evolving complex (OEC) in photosystem II (PSII), where we have studied whether the C-terminal carboxylate of D1-Ala344 is directly bound to the Mn cluster. To probe these protein-derived carboxylate hyperfine interacti...