Molecular structure of phosgene as studied by gas electron diffraction and microwave spectroscopy: The rs,rm, and re structures

The microwave spectra of eight isotopic species of COCl₂ have been observed, and the following rotational constants have been obtained: An analysis of the rotational constants has resulted in the r_s and r_m structures. The equilibrium structure, r_e, has been estimated by combining the r_m parameters derived according to Watson's method and the r_e bond distances estimated in our recent electron-diffraction and spectroscopic studies to be $\text{r}{}_{\mathrm{e}}\text{(CO}\text{) = 1.1756 ± 0.0023}\text{A}\text{?}$, $\text{r}{}_{\mathrm{e}}\text{(CCl}\text{) = 1.7381 ± 0.0019}\text{A}\text{?}$, ∠_eClCCl = 111.79 ± 0.24°.     

Excited state property of hardly photodissociable heme-CO adduct studied by time-dependent density functional theory

While most of CO-bound hemes are easily photodissociated with a quantum yield of nearly unity, we occasionally encounter a CO-heme which appears hardly photodissociable under the ordinary measurement conditions of resonance Raman spectra using CW laser excitation and a spinning cell. This study aims to understand such hemes theoretically, that is, the excited-state properties of the five-coordinate heme-CO adduct (5cH) as well as the 6c heme-CO adduct (6cH) with a weak axial ligand. Using a hybrid density functional theory, we scrutinized the properties of the ground and excited spin states of the computational models of a 5cH and a water-ligated 6cH (6cH-H(2)O) and compared these properties with those of a photodissociable imidazole-ligated 6cH (6cH-Im). Jahn-Teller softening for the Fe-C-O bending potential in the a(1)-e excited state was suggested. The excited-state properties of 6cH-Im and 5cH were further studied with time-dependent DFT theory. The reaction products of 6cH-Im and 5cH were assumed to be quintet and triplet states, respectively. According to the time-dependent DFT calculations, the Q excited state of 6cH-Im, which is initially a pure pi-pi state, crosses the Fe-CO dissociative state (2A') without large elongation of the Fe-CO bond. In contrast, the Q state of the 5cH does not cross the Fe-CO dissociative state but results in the formation of the excited spin state with a bent Fe-C-O. Consequently, photoisomerization from linear to bent Fe-C-O in the 5cH is a likely mechanism for apparent nonphotodissociation.     

The Elliptic Algebra and the Drinfeld Realization of the Elliptic Quantum Group

By using the elliptic analogue of the Drinfeld currents in the elliptic algebra , we construct a L-operator, which satisfies the RLL-relations characterizing the face type elliptic quantum group . For this purpose, we introduce a set of new currents in . As in the N=2 case, we find a structure of as a certain tensor product of and a Heisenberg algebra. In the level-one representation, we give a free field realization of the currents in . Using the coalgebra structure of and the above tensor structure, we derive a free field realization of the -analogue of -intertwining operators. The resultant operators coincide with those of the vertex operators in the -type face model.     

An idea for predicting the evaporation residue cross section in superheavy mass region

A trial to clarify the main contributors to the evaporation residue cross section in the superheavy mass region is presented. The precise analysis of these factors enables us to understand more clearly the trend of experimental data decreasing exponentially when the atomic number of the residue nucleus increases. It is found that almost all of the experimental data producing nuclei with Z=104 to 114 are fitted with a common parameter set within a reasonable allowance, i.e., ±0.7 order. In this sense, this model has a reliable predictability for the synthesis of new elements.     

A novel action of terpendole E on the motor activity of mitotic Kinesin Eg5

To reveal the mechanism of mitosis, the development of M phase-specific inhibitors is an important strategy. We have been screening microbial products to find specific M phase inhibitors that do not directly target tubulins, and rediscovered terpendole E (TerE) as a novel Eg5 inhibitor. TerE did not affect microtubule integrity in interphase, but induced formation of a monoastral spindle in M phase. TerE inhibited both motor and microtubule-stimulated ATPase activities of human Eg5, but did not affect conventional kinesin from either Drosophila or bovine brain. Although terpendoles have been reported as inhibitors of acyl-CoA:cholesterol O-acyltransferase (ACAT), the Eg5 inhibitory activity of TerE was independent of ACAT inhibition. Taken together, we demonstrate that TerE is a novel Eg5 inhibitor isolated from a fungal strain.     

Preparation of organic-inorganic composites containing rod-like phthalocyanine polymers

Sol-gel polymerization of tetraethoxysilane in the presence of amphiphilic phthalocyanine polymer 2 produced organic-inorganic composites with the rod-like phthalocaynine polymers incorporated within ordered hexagonal channels.