Synthesis, Structure and H+/K+-ATPase Inhibitory Activity of Novel Triazolyl Substituted Tetrahydrobenzofuran Derivatives via One-pot Three-component Click Reaction

Eleven triazolyl substituted tetrahydrobenzofuran derivatives were synthesized in high yields as novel H⁺/K⁺‐ATPase inhibitor via one‐pot CuI‐catalyzed three‐component click reaction of azide, secondary amine and 3‐bromopropyne under mild conditions in water. Their structures were characterized by NMR, IR, ESI‐MS, elemental analysis and single‐crystal X‐ray diffraction analysis. Most of the target compounds exhibited better H⁺/K⁺‐ATPase inhibitory activity than commercial omeprazole with IC₅₀ values less than 15 µmol·L^?1. The initial structure‐activity analysis suggested that the triazole substituted by cycloalkyl, aromatic ring or O‐containing side‐chain seemed to be beneficial for enhancing the activity.     

Phase Transfer Catalyzed Anomeric Nucleophilic Substitutions with D-Xylopyranosyl Halides

Abstract

Anomeric pairs of per-O-acetylated-D-xylopyranosyl halides were individually treated with a wide variety of nucleophiles under mild PTC conditions. Thus, 2,3,4-tri-O-acetyl-α-D-xylopyranosyl bromide 1 provided exclusively the β-D-xylopyranosyl anomers 2-11 in good to excellent yields (65-95%). Alternatively, under the same PTC conditions, 2,3,4-tri-O-acetyl-β-D-xylopyranosyl chloride 13 afforded solely the inverted α-D-anomers 15 (82%) and 16 (67%) upon treatment with thiophenol and sodium azide, respectively. Similarly, 2,3,4,6-tetra-O-acetyl-β-D-glucopyranosyl chloride 19 provided the analogous products 20 (63%) and 21 (31%) upon treatment with thiophenol and sodium azide. In the presence of tetrabutylammonium chloride as PTC catalyst, β-xylopyranosyl chloride 13 was shown to slowly equilibrate to the α-chloride 14. Therefore, care must be taken to avoid PTC catalyst for which counter anions can cause anomerization of the starting glycosyl halides.     

Multireference calculations on low-lying states and the X~3 Π_u -~3 Π_g absorption spectra of indium dimers

Multireference configuration interaction calculations are carried out on 11 Λ-S low-lying electronic states of indium dimers. The states are investigated with spin-orbit pseudopotentials via the state-interacting method, and characterized by fitted spectroscopic constants based on computed potential energy curves. The vibrational structures of the double-potential well 0+g (I) ( 3 Σ g ) state are also analyzed. The experimentally observed absorption spectrum centred at ～ 13000cm-1 is simulated and assigned to X 3 Πu (v=0)-3Πg transition according to the present ab initio calculations on transition energies and dipole moment functions.     

Size-refinement enhanced flexibility and electrochemical performance of MXene electrodes for flexible waterproof supercapacitors

Increasing mechanical flexibility without sacrificing electrochemical performance of the electrode mate-rial is highly desired in the design of flexible electro...     

Legendre函数加权的声纳宽频带恒定束宽波束特性分析*

为了处理水声信号,声纳阵列通常需要形成宽频带恒定束宽的波束。采用两种阵元加权方法分析二维圆弧形恒定束宽换能器声纳阵列:球面Legendre函数加权方法和柱面Legendre函数加权方法。分别对球面阵、柱面阵和平面阵这三种几何结构的声纳阵列进行分析,并且计算波束宽度和波束方向。结果表明,在宽频带范围内,除了柱面Legendre函数加权的球面阵之外,其余Legendre函数加权的声纳阵列均能利用简单的、不随频率变化的阵元权重和阵元延时,形成恒定束宽的波束,并且具有较小的旁瓣,此外波束方向与预设方向也较为一致。相对于其他恒定束宽波束形成方法,Legendre函数加权方法能利用较低的计算复杂度来实现良好的宽频带恒定束宽的波束特性。     

Inverses and eigenpairs of tridiagonal Toeplitz matrix with opposite-bordered rows

In this paper, tridiagonal Toeplitz matrix (type I, type II) with opposite-bordered rows are introduced. Main attention is paid to calculate the determinants, the inverses and the eigenpairs of these matrices. Specifically, the determinants of an $n\times n$ tridiagonal Toeplitz matrix with opposite-bordered rows can be explicitly expressed by using the $(n-1)$th Fibonacci number, the inversion of the tridiagonal Toeplitz matrix with opposite-bordered rows can also be explicitly expressed by using the Fibonacci numbers and unknown entries from the new matrix. Besides, we give the expression of eigenvalues and eigenvectors of the tridiagonal Toeplitz matrix with opposite-bordered rows. In addition, some algorithms are presented based on these theoretical results. Numerical results show that the new algorithms have much better computing efficiency than some existing algorithms studied recently.