Angular distribution of different vibrational components of the X and B states reached after resonant Auger decay of core-excited H2O: experiment and theory

Vibrationally resolved spectra have been obtained for the lowest-lying cationic states X (2)B(1), A (2)A(1), and B (2)B(2) of the water molecule reached after participator resonant Auger decay of core-excited states. The angular distribution has been measured of the first four vibrational components of the X state in the photon energy regions including the O 1s-->4a(1) and the O 1s-->2b(2) core excitations, and for different portions of the vibrational envelope of the B state in the photon energy region including the O 1s-->2b(2) core excitation. For the X state, a large relative spread in beta values of the different vibrational components is observed across both resonances. For the B state, a very different trend is observed for the high binding energy side and the low binding energy side of the related spectral feature as a function of photon energy. A theoretical method based on the scattering K matrix has been used to calculate both the photoabsorption spectrum and the beta values, by taking both interference between direct and resonant photoemission and vibrational/lifetime interference into account. The numerical results show qualitative agreement with the trends detected in the experimental values and explain the conspicuous variations of the beta values primarily in terms of coupling between direct and resonant photoemission by interaction terms of different sign for different final vibrational states.     

Symmetry-resolved absorption spectra of vibrationally excited CO2 molecules

Symmetry-resolved x-ray absorption spectroscopy has been first carried out on high-temperature molecules. From the angle-resolved ion yield spectra of CO2 both at room temperature and at 430 degrees C, symmetry-resolved absorption profiles of the C 1s(-1) 2pi(u) and O 1s(-1) 2pi(u) resonances have been extracted for the vibrational ground state molecules and bending-vibration excited ones. The profiles change dramatically between them, and the Renner-Teller effect becomes more evident for the vibrationally excited molecules. The effects of the multimode vibronic coupling are suggested for the O 1s(-1) 2pi(u) and O 1s(-1) 3s sigma(g) resonances.     

A new type of stilbene-related secondary metabolite, idenburgene, from Cryptocarya idenburgensis

A new type of natural product, idenburgene (1), was isolated from Crytocarya idenburgensis, and its unique structure was elucidated. Four known compounds, 3-hydroxy-5-methoxystilbene (2), 2',6'-dihydroxy-4'-methoxydihydrochalcone (3), stigmast-4-ene-3-one, and beta-sitosterol were also isolated and identified.     

Texture and molecular chain mobility in cold-deformed linear polyethylene

The fine texture and molecular motion in rolled (draw ratios λ = 2, λ = 5), cold-drawn (λ = 6), and hot-drawn (λ = 6), linear polyethylene (Sholex 6050) films were studied by small-angle x-ray scattering, wide-line nuclear magnetic resonance (NMR), and dynamic viscoelastic measurements. NMR spectra of the rolled (λ = 5) and cold-drawn samples show a small narrow component at room temperature. For these cold-deformed samples, a gradual decrease in the second moment is observed well below the α relaxation temperature and a new relaxation appears in the same temperature region in the logarithmic decrement versus temperature. This relaxation is absent in the original and hot-drawn samples. It is concluded that the new relaxation arises from molecular motion in intermediate regions where molecular chains are less mobile than in the amorphous state.     

Collision-induced dissociation actualized the H+-promoted reaction as observed in vitro; harman formation from beta-carboline-type monoterpenoid glucoindole alkaloids

The fragmentation from beta-carboline-type monoterpenoid glucoindole alkaloids to harman, which is a hypothetical pathway to generate simple beta-carbolines, was actualized in the collision-induced dissociation in MS.     

Formation of an unusual dimeric compound by lead tetraacetate oxidation of a corynanthe-type indole alkaloid,mitragynine

Lead tetraacetate oxidation of a Corynanthe-type indole alkaloid, mitragynine, produced mainly 7-acetoxyindolenine derivative (2) together with a dimeric compound (4) as a minor product. The novel structure having a bridge between the C-11' and C-7 positions in the respective indolenine parts and its formation mechanism were studied.     

Structure-activity relationships of new N-acylanthranilic acid derivatives as plasminogen activator inhibitor-1 inhibitors

Novel anthranilic acid derivatives having substituted N-acyl side chains were designed and synthesized for evaluation as plasminogen activator inhibitor-1 (PAI-1) inhibitors. Compounds with a 4-diphenylmethyl-1-piperazinyl moiety on the acyl side chains in general exhibited potent in vitro PAI-1 inhibitory activity and good pharmacokinetic profiles after oral administration in rats. Compound 16f (TM5275) was identified as a promising candidate for further pharmacological evaluation.