Efficient synthesis of trifluoromethyl and related trisubstituted alkene dipeptide isosteres by palladium-catalyzed carbonylation of amino acid derived allylic carbonates

A novel stereoselective synthetic approach to (Z)-trifluoromethylalkene dipeptide isosteres (CF(3)-ADIs) is described. Starting from readily available N-Boc-L-phenylalanine, Phe-Gly type CF(3)-ADIs were obtained through palladium-catalyzed carbonylation of allylic carbonates under CO. While the reaction of N-Boc derivatives proceeds in excellent yields but lower stereoselectivity (E: Z = 62:38-43:57), the reaction of the N, N-diBoc derivative exclusively affords the desired (Z)-isomer in 61% yield. We also present a highly stereoselective synthesis of several Phe-Gly type trisubstituted alkene dipeptide isosteres by palladium-catalyzed carbonylation.     

An efficient synthesis of 4‐alkoxy‐5,6‐dihydro‐furo(and ‐thieno)[2,3‐d]pyrimidines using zinc chloride/triethylamine reagent system

The one‐pot synthesis of 4‐alkoxy‐5,6‐dihydro‐furo(and ‐thieno)[2,3‐d]pyrimidines is described. The reactions of 2‐benzamido‐4,5‐dihydro‐3‐furan(and ‐3‐thiophene)carbonitriles 1a‐d and 2a‐c with ethanol and/or methanol in the presence of zinc chloride and triethylamine gave the corresponding 4‐alkoxy‐5,6‐dihydro‐furo(and ‐thieno)[2,3‐d]pyrimidines 3a‐d , 4a‐d , 5a‐c and 6a‐c .     

Asymptotic profile of solutions to nonlinear dissipative evolution system with ellipticity

We consider the Cauchy problem for the nonlinear dissipative evolution system with ellipticity on one dimensional space

Factors and vertex-deleted subgraphs

A relationship is considered between an f-factor of a graph and that of its vertex-deleted subgraphs. Katerinis [Some results on the existence of 2n-factors in terms of vertex-deleted subgraphs, Ars Combin. 16 (1983) 271-277] proved that for even integer k, if G-x has a k-factor for each x∈V(G), then G has a k-factor. Enomoto and Tokuda [Complete-factors and f-factors, Discrete Math. 220 (2000) 239-242] generalized Katerinis’ result to f-factors, and proved that if G-x has an f-factor for each x∈V(G), then G has an f-factor for an integer-valued function f defined on V(G) with even. In this paper, we consider a similar problem to that of Enomoto and Tokuda, where for several vertices x we do not have to know whether G-x has an f-factor. Let G be a graph, X be a set of vertices, and let f be an integer-valued function defined on V(G) with even, |V(G)-X|?2. We prove that if and if G-x has an f-factor for each x∈V(G)-X, then G has an f-factor. Moreover, if G excludes an isolated vertex, then we can replace the condition with . Furthermore the condition will be when |X|=1.     

From the Klein–Gordon–Zakharov system to a singular nonlinear Schrödinger system

In this paper, we continue our investigation of the high-frequency and subsonic limits of the Klein–Gordon–Zakharov system. Formally, the limit system is the nonlinear Schrödinger equation. However, for some special case of the parameters going to the limits, some new models arise. The main object of this paper is the derivation of those new models, together with convergence of the solutions along the limits.     

Modeling the drainage and groundwater table above the collecting pipe through 2D groundwater models

In order to understand the effects of the landfill operation on groundwater flow behavior, 2D horizontal groundwater simulation model was carried out. The model saved the memory of computer and time consumption comparing with 3D groundwater flow model. However, the most difficulty is the assignment of collecting pipe boundary in the study site. Therefore, 2D vertical model was applied to calculate the change of groundwater table above the collecting pipe. This paper paid attention to examine the validation of the assignment of the collecting pipe boundary by applying the results of 2D vertical model. 2D horizontal model was coupled with the recharge model to solve the partial differential equation of groundwater flow. Finite difference method and iterative successive over relaxation were applied. The drainage volume of leachate collection was summed up in the whole landfill site and compared with the average volume of treated waste water. The study demonstrated that the results of 2D vertical model validated and can be applied to 2D horizontal groundwater flow simulation.     

Light absorption and excitation energy transfer calculations in primitive photosynthetic bacteria

In photosynthetic organisms, light energy is converted into chemical energy through the light absorption and excitation energy transfer (EET) processes. These processes start in light-harvesting complexes, which contain special photosynthetic pigments. The exploration of unique mechanisms in light-harvesting complexes is directly related to studies, such as artificial photosynthesis or biosignatures in astrobiology. We examined, through ab initio calculations, the light absorption and EET processes using cluster models of light-harvesting complexes in purple bacteria (LH2). We evaluated absorption spectra and energy transfer rates using the LH2 monomer and dimer models to reproduce experimental results. After the calibration tests, a LH2 aggregation model, composed of 7 or 19 LH2s aligned in triangle lattice, was examined. We found that the light absorption is red shifted and the energy transfer becomes faster as the system size increases. We also found that EET is accelerated by exchanging the central pigments to lower energy excited pigments. As an astrobiological application, we calculated light absorptions efficiencies of the LH2 in different photoenvironments.     

Three-dimensional flow visualization system by holographic interferometry

A holographic system has been developed to visualize a three-dimensional fluid flow. The system consists principally of a thermoplastic film, a monochrome video camera, a microcomputer with image-processing capability and a printer. The system makes it possible to measure a slow flow. Two examples of such, the bimodal and mixed-mode convection flows within a Bénard cell, are presented.     

The study of Al3(Mn,Pd) crystal and Al–Mn–Pd decagonal quasicrystal by spherical aberration-corrected scanning transmission microscopy and atomic-resolution energy dispersive X-ray spectroscopy

An Al₃Mn-type Al₃(Mn, Pd) crystal and an Al–Mn–Pd decagonal quasicrystal (DQC) in an Al₇₀Mn₂₀Pd₁₀ alloy are studied using a spherical aberration (Cs)-corrected scanning transmission electron microscope (STEM) with high-angle annular dark-field (HAADF) and annular bright-field (ABF) techniques, together with atomic-resolution energy dispersive X-ray spectroscopy (EDS). Mn and Pd atomic positions in the Al₃(Mn, Pd) structure projected along the b-axis (pseudo-tenfold rotational axis) are represented by separate bright dots in observed HAADF-STEM images. Besides, Al as well as Mn and Pd atomic positions are represented as dark dots in ABF-STEM images. Most Mn and Pd atomic positions in the Al₃(Mn, Pd) structure can be observed on atomic-resolution EDS maps. On the basis of the good correlation between the STEM images and the EDS maps, and also considering the structure of the Al₃(Mn, Pd) crystal, which was determined by X-ray diffraction using a single crystal, observed HAADF and ABF-STEM images of the Al–Mn–Pd DQC have been interpreted. Pd and Mn atomic positions in the Al–Mn–Pd DQC can be detected on the observed EDS maps. It can be seen that Pd is enriched around the centre of the columnar clusters, having a decagonal section with 2 nm in diameter. It can therefore be concluded that Pd plays an important role in the stabilization of the decagonal clusters, which form the Al–Mn–Pd DQC structure.     

The structure of an Al–Rh–Cu decagonal quasicrystal studied by spherical aberration (Cs)-corrected scanning transmission electron microscopy

The structure of an Al–Rh–Cu decagonal quasicrystal formed with two quasiperiodic planes along the periodic axis in an Al₆₃Rh_18.5Cu_18.5 alloy has been studied by spherical aberration (Cs)-corrected high-angle annular detector dark-field (HAADF)- and annular bright-field (ABF)-scanning transmission electron microscopy (STEM). Heavy atoms of Rh and mixed sites (MSs) of Al and Cu atoms projected along the periodic axis can be clearly represented as separate bright dots in observed HAADF-STEM images, and consequently arrangements of Rh atoms and MSs on the two quasiperiodic planes can be directly determined from those of bright dots in the observed HAADF-STEM image. The Rh atoms are arranged in pentagonal tiling formed with pentagonal and star-shaped pentagonal tiles with an edge-length of 0.76 nm, and also MSs with a pentagonal arrangement are located in the pentagonal tiles with definite orientations. The star-shaped pentagonal tiles in the pentagonal tiling are arranged in τ²(τ: golden ratio)-inflated pentagonal tiling with a bond-length of 2 nm. From arrangements of Rh atoms placed in pentagonal tilings with a bond-length of 2 nm, which are generated by the projection of a five-dimensional hyper-cubic lattice, occupation domains in the perpendicular space are derived. Al atoms as well as Rh atoms and MSs are represented as dark dots in an observed ABF-STEM image, and arrangements of Al atoms in well-symmetric regions are discussed.