Two new Co(II) and Cu(II) azido complexes with 4-picoline (4-Pic) pyridine-2-carboxaldoxime (HAld) were synthesized by self-assembly of the organic ligand M(II) nitrate in presence azide as a co-ligand. Their structures determined to be [Co(4-Pic)4(H2O)(N3)]NO3*H2O*4-Pic (1) [Cu(HAld)(Ald)(N3)] (2) using X-ray single crystal diffraction. In complex 1, coordination geometry is slightly distorted...

The pseudo Jahn–Teller (PJT) origin of the proton transfer barrier in Zundel cation at different O–O distances and an H5O2+(H2O)4 cluster is revealed by means ab initio calculations their electronic structures adiabatic potential energy curves. vibronic constants this approach were estimated fitting calculated to its analytical expression. It shown also that high-symmetry nuclear configurations...

ABSTRACT Vibrationally excited levels of the H2O molecule are currently detected in various environments interstellar medium (ISM), and collisional data for H2O, including vibration with main colliders ISM, needed. The present study focuses on bending relaxation by collision H when taking bending–rotation coupling explicitly into account rigid-bender close-coupling (RB-CC) method. With this aim...

Heme-copper oxidases (HCOs) catalyze efficient reduction of oxygen to water in biological respiration. Despite progress in studying native enzymes and their models, the roles of non-covalent interactions in promoting this activity are still not well understood. Here we report EPR spectroscopic studies of cryoreduced oxy-F33Y-CuBMb, a functional model of HCOs engineered in myoglobin (Mb). We fin...

Complement protein C3 is a 187-kDa (1641-aa) protein that plays a key role in complement activation and immune responses. Its hydrolyzed form, C3(H2O), is responsible for the initiation of the activation of alternative complement pathway. Previous analyses using mAbs, anilinonaphthalenesulfonate dyes, and functional studies have suggested that C3 is conformationally different from C3(H2O). We h...

The asymmetric unit of the title inorganic-organic hybrid compound, (C10H16N2O)[CoCl4]·H2O, consists of a tetrahedral [CoCl4](2-) anion, together with a [C10H18N2O](2+) cation and a water mol-ecule. Crystal cohesion is achieved through N-H⋯Cl, O-H⋯Cl and N-H⋯O hydrogen bonds between organic cations, inorganic anions and the water mol-ecules, building up a three-dimensional network.

Introduction: Prior to the discovery of H2O dissolved in the picritic lunar glass beads [1], models for the eruption of lunar picritic magmas involved both a column of melt extending deep into the lunar mantle, and a gas-assisted lift of the magma to achieve explosive eruption [2,3,4,5]. In a H-free moon, first gas phase formation would have involved the oxidation of reduced C (graphite) to pro...