Multi-level optimization for multi-objective problems

A multi-level solution method is presented for multi-objective optimization of large-scale systems associated with the hierarchical structure of decision-making. The method, consisting of a multi-level problem formulation and an interactive algorithm, has distinct advantages in handling the difficulties which are often experienced in engineering. The method is illustrated by its application to an optimal design of a processing system.     

A direct radioimmunoassay for serum 11-deoxycortisol

A simple direct radioimmunoassay for 11-deoxycortisol in serum is described. A new type of bridge heterologous 125I labeled 11-deoxycortisol was prepared and was applied to the direct radioimmunoassay. Low and high levels of 11-deoxycortisol in serum were sensitively determined by the direct radioimmunoassay.     

A decidable paraconsistent relevant logic: Gentzen system and Routley‐Meyer semantics

In this paper, the positive fragment of the logic of contraction‐less relevant implication is extended with the addition of a paraconsistent negation connective similar to the strong negation connective in Nelson's paraconsistent four‐valued logic . This extended relevant logic is called , and it has the property of constructible falsity which is known to be a characteristic property of . A Gentzen‐type sequent calculus for is introduced, and the cut‐elimination and decidability theorems for are proved. Two extended Routley‐Meyer semantics are introduced for , and the completeness theorems with respect to these semantics are proved.     

Nuclear Wavepacket Study on Unimolecular Reactions of Hydrogen Cyanide Excited by Femtosecond Pulsed Lasers

The unimolecular reaction dynamics of hydrogen cyanide (HCN) induced by IR multiphoton, femtosecond excitations was studied on the basis of the nuclear wavepacket theory. Both hydrogen dissociation and migration of HCN are taken into account. In evaluating the propagation of the wavepackets in the two-dimensional potential surface, position grid and eigenfunction basis sets were adopted for the dissociation and hydrogen migration coordinates, respectively. The ground state potential energy function and the dipole moment function calculated by using a MCSCF ab-initio procedure were used. Laser-intensity dependencies of the dissociation and hydrogen migration probabilities were evaluated. Effects of mode-couplings on the hydrogen migration were examined.     

A theoretical study on the ionization of H2S with analysis of vibrational structure of the photoelectron spectra

Ab initio calculations were performed to study the molecular structures and the vibrational levels of the low-lying ionic states (²B₁, ²A₁ and ²B₂) of hydrogen sulphide. The equilibrium molecular structure and the vibrational analysis of these states are presented. The normal vibrational calculations at the RHF level and more extensive calculations at the SDCI level using the explicit vibrational Hamiltonians were used for the vibrational analysis. The theoretical ionization intensity curves including the vibrational structures of these ionic states are also presented and compared with the photoelectron spectrum. The results show that the global shape of the potential energy surface has to be taken into consideration in order to analyze the ²A₁ and ²B₂ states. A new assignment of the photoelectron spectra of H₂S is proposed.     

Highly diastereoselective heterogeneously catalyzed hydrogenation of enamines for the synthesis of chiral beta-amino acid derivatives

Pure (Z)-enamines readily prepared from beta-ketoesters and amides using (S)-phenylglycine amide were hydrogenated with very high diastereoselectivities (up to 200:1) using heterogeneous catalysis. Hydrogenolytic cleavage of the (S)-phenylglycine amide afforded the corresponding chiral beta-aminoesters and amides. The high geometrical purity of the (Z)-enamine and a simple activation procedure for the PtO2 catalyst are essential in achieving high selectivity.     

Regioselective Cyclotrimerization of Terminal Alkynes Using a Digermyne

The catalytic activation of small neutral molecules followed by the formation of C?C bonds is a highly important method to increase the complexity and/or value of simple starting materials. Reported is an isolable digermyne, a compound with a Ge≡Ge bond, which acts as a precatalyst for the cyclotrimerization of terminal arylacetylenes to afford the corresponding 1,2,4‐triarylbenzenes with absolute regioselectivity. The results demonstrate that bespoke main‐group‐element compounds can catalytically activate and transform small neutral organic molecules and induce the formation of C?C bonds.     

Photochemical and thermal reactions of a kinetically stabilized 9-silaanthracene: the first spectroscopic observation of a 9,10-Dewar-9-silaanthracene isomer

A kinetically stabilized 9-silaanthracene (1) underwent unique photochemical and thermal reactions to afford 9,10-Dewar-9-silaanthracene 2a and the head-to-tail [4 + 4] dimer 3, respectively. The structure of 2a was confirmed by 1H, 13C, and 29Si NMR spectra, and the kinetic parameters for the thermal reversion of 2a to 1 were obtained by the measurement of UV/vis spectra. The dimer 3 was thermally stable, and the molecular structure of 3 was determined by X-ray crystallographic analysis. It was experimentally demonstrated for the first time that 9-silaanthracene, as well as anthracene, can afford either the Dewar isomer or [4 + 4] dimer, depending on the reaction conditions.