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Significant anomalous changes in the ultra low frequency range (approximately 0.01 Hz) were observed in both geoelectric and geomagnetic fields before the major volcano-seismic activity in the Izu Island region, Japan. The spectral intensity of the geoelectric potential difference between some electrodes on Niijima Island and the third principal component(More)
Enantioselectivity in the aza-Cope rearrangement of a guest molecule encapsulated in a cage-like supramolecular assembly [Ga4 L6 ](12-) [L = 1,5-bis(2',3'-dihydroxybenzamido)naphthalene] is investigated using density functional theory and ab initio molecular orbital calculations. Reaction pathways leading to R- and S-enantiomers encapsulated in the [Ga4 L6(More)
A method to compute magnetic shielding tensors with generalized hybrid-orbital (GHO) QM/MM scheme is developed at the levels of Hartree-Fock and second-order Møller-Plesset perturbation theory using gauge-including atomic orbitals. A feature of the GHO method is utilized to ensure gauge-origin independency of GHO shielding tensors in a simple way. The(More)
Inhibition of 5alpha-reduction of testosterone by an anti-androgen TSAA-291 (16beta-ethyl-17beta-hydroxy-4-estren-3-one) was studied in rat ventral prostates and the metabolic conversion of 3H-TSAA-291 was examined both in vitro and in vivo. In the in vitro experiment using nuclear 5alpha-reductase of the prostate, 5alpha-dihydrostestosterone formation from(More)
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