Просмотр исходного текста страницы -Electronic-structure-calculations-up-to-the-CCSDTAVTZ-level-suggest-an-isoenergetic-situation-for-methanol-after-harmonic-zero-point-energy-correction-within-less-than-1-kJ-mol1-q

Linear infrared absorption spectroscopy in the OH stretching fundamental range applied to a cold supersonic jet expansion of anisole and methanol in helium shows that the oxygen binding site is preferred, with about 20 times less π-bonded than O-bonded dimers despite the non-equilibrium collisional environment. Accidental band overlap is ruled out by OH overtone and OD stretching spectroscopy. Furthermore, the diagonal anharmonicity constant of the OH stretching mode is derived from experiment and reaches 80% of the monomer distortion found in the methanol dimer, as expected for a weaker hydrogen bond to the aromatically substituted oxygen. To reconcile these experimental findings with ab initio theory, accurate nuclear and electronic structure calculations involving AVQZ basis sets are required. Dispersion-corrected double-hybrid density functional theory provides a less expensive successful structural approach.Multifocal microlens arrays using multilayer photolithography.<br /><br />Bae SI, Kim K, Yang S, Jang KW, Jeong KH.We report a new microfabrication method of multifocal microlens arrays (MF-MLAs) for extended depth-of-field (DoF) using multilayer photolithography and thermal reflow. Microlenses of different focal lengths were simultaneously fabricated on a single glass wafer by using repeated photolithography with multiple photomasks to define microposts of different thicknesses and concurrent thermal reflow of multi-stacked microposts. The diverse lens curvatures of MF-MLAs are precisely controlled by the thickness of the micropost. Hexagonally packaged MF-MLAs clearly show three different focal lengths of 249 µm, 310 µm, and 460 µm for 200 µm in lens diameter and result in multifocal images on a single image sensor. This method provides a new route for developing various three-dimensional (3D) imaging applications such as light-field cameras or 3D medical endoscopes.Biochemical aromatization of 2-methyleneandrostenedione: stereochemistry of To explore a stereochemistry of hydrogen removal at C-1 of the powerful conformation is markedly different from that of the natural substrate androstenedione (AD), in the course of the aromatase-catalyzed A-ring steroid 1 and its [1beta-2H]stereoisomer, and the metabolic fate of the C-1 deuterium in aromatization was analyzed by gas chromatography-mass spectrometry (GC-MS) in each.<br /><br /> Parallel [https://anotepad.com/notes/3tcppwnw Characterization and Spectroscopic Analysis of 6-butyl-n-hydroxynaphthimide trifluoromethanesulfonic acid] with the natural substrates [1alpha-2H] and [1beta-2H]ADs were also carried out. The GC-MS analysis indicated that 2-methyl estrogen 2 produced from [1alpha-2H]labeled substrate 1 retained completely the 1alpha-deuterium (1beta-H elimination), while product 2 obtained from [1beta-2H]isomer 1 lost completely the 1beta-deuterium. Stereospecific 1beta-hydrogen elimination was also observed in the parallel experiments with the labeled ADs as established previously. The results indicate that biochemical aromatization of the 2-methylene steroid 1 proceeds through the 1beta-hydrogen This would give additional evidence for the stereomechanisms for the last step of aromatization of AD, requiring the stereospecific 1beta-hydrogen abstraction group at C-3 in the A-ring aromatization.Different in vitro metabolism of 7 alpha-methyl-19-nortestosterone by human and The ability of human and equine placental microsomes to aromatize 7 alpha-methyl-19-nortestosterone (MNT) was studied. Kinetic analysis indicates that MNT shares the androgen-binding site of human and equine placental microsomal aromatases. Human placental microsomal estrogen synthetase had about a 2-fold higher relative affinity for MNT than the equine placental enzyme (KiMNT/Km androstenedione of 32 versus 87).<br /><br /> However, MNT was not metabolized by human placental microsomes, whereas it was very actively metabolized by equine placental microsomes. Further studies using purified equine cytochrome P-450arom indicated that the presence of a 7 alpha-methyl group and the absence of a C19 methyl group did not impair its conversion by the purified enzyme. The product of this reaction was separated and identified as 7 alpha-methylestradiol by gas chromatography coupled to mass spectrometry.Closed Bipolar Electrode-Enabled Electrochromic Sensing of Multiple Metabolites Dame, Notre Dame, Indiana46556, United States.We report a closed bipolar electrode (CBE)-based sensing platform for the detection of diagnostic metabolites in undiluted whole human blood. The sensor blood-compatible adsorption-resistant phosphorylcholine (PPC) and phenylbutyric enzymes. This scheme is designed to overcome nonspecific protein adsorption and amplify sensing currents in whole human fluids.<br /><br /> The scheme also incorporates a diffusing mediator to increase electronic communication between the immobilized redox enzyme and the working electrode. The use of both bound and freely diffusing mediators is synergistic in producing the electrochemical response. The sensor is realized by linking the analyte cell, containing the specific electrode surface architecture, through a CBE to a reporter cell containing the electrochromic reporter, methyl viologen (MV).