Carbon monoxide formation from trimethylamine-boranecarboxylate: DFT studies of Si and chelotropic mechanisms.

Trimethylamine-boranecarboxylic acid (CH)N-BHCOOH and other amine carboxyboranes have been observed to undergo slow decarbonylation in neutral aqueous solution. This reaction, when it occurs , may have a therapeutic effect by delivering low concentrations of carbon monoxide over an extended period. In order to identify a possible mechanistic pathway for decarbonylation, the smallest tertiary amine derivative and its corresponding carboxylate ion were studied using CCSD(T)/PCM/6-311++G(2d,p)//M06-2X/PCM/6-311++G(2d,p) model chemistry.

Sulfur Dioxide-Pyridine Dimer. FTIR and Theoretical Evidence for a Low-Symmetry Structure.

Sulfur dioxide-pyridine complex formation was reinvestigated using Fourier transform infrared (FTIR) spectroscopy and computational methods. The SO2-pyridine dimer has been proposed to have a v-shaped, Cs-symmetric structure based on the microwave spectrum; however, recent research showing the occurrence of X···H-C hydrogen bonds in noncovalent complexes suggested that the structure of the complex should be re-examined. The FTIR spectrum of the dimer was obtained by numerical analysis of the spectra of pyridine-SO2 mixtures in CCl4.

Invited Article: First flight in space of a wide-field-of-view soft x-ray imager using lobster-eye optics: Instrument description and initial flight results.

We describe the development, launch into space, and initial results from a prototype wide field-of-view soft X-ray imager that employs lobster-eye optics and targets heliophysics, planetary, and astrophysics science. The sheath transport observer for the redistribution of mass is the first instrument using this type of optics launched into space and provides proof-of-concept for future flight instruments capable of imaging structures such as the terrestrial cusp, the entire dayside magnetosheath from outside the magnetosphere, comets, the Moon, and the solar wind interaction with planetary bodies like Venus and Mars [Kuntz et al., Astrophys.

Theoretical study of formic acid-sulfur dioxide dimers.

We report the first theoretical study of noncovalent and covalent interactions in formic acid (FA)-SO(2) complexes. Using ab initio and DFT model chemistries, five stable noncovalent complexes were identified, as well as a covalent adduct, formic sulfurous anhydride HOSO(2)CHO. syn-FA is predicted to form two nonplanar bidentate complexes with SO(2): the more stable one contains a normal hydrogen bond donated by OH, and the less stable one contains a blue-shifted hydrogen bond donated by CH.

Rotation rate and duration effects on the somatogyral illusion.

Introduction: Aviation spatial disorientation mishaps remain a concern, especially due to their fatality rate. Some of the most insidious disorientations are due to vestibular stimuli in the absence of visual cues. A category of such disorientations are known as somatogyral illusions.

Role of Q52 in catalysis of decarboxylation and transamination in dialkylglycine decarboxylase.

Dialkylglycine decarboxylase (DGD) is a pyridoxal phosphate dependent enzyme that catalyzes both decarboxylation and transamination in its normal catalytic cycle. DGD uses stereoelectronic effects to control its unusual reaction specificity. X-ray crystallographic structures of DGD suggest that Q52 is important in maintaining the substrate carboxylate in a stereoelectronically activated position.