局部Z-空间和Z-连续空间

对于一般广义子集系统Z,引入了局部Z-空间和Z-连续空间的概念,讨论了局部Z-空间的基本性质;基于收敛网,给出了局部Z-空间的等价刻画,证明了X为Z-连续空间当且仅当X为局部Z-空间。     

Z‐Selective Cross Metathesis with Ruthenium Catalysts: Synthetic Applications and Mechanistic Implications

Olefin cross metathesis is a particularly powerful transformation that has been exploited extensively for the formation of complex products. Until recently, however, constructing Z‐olefins using this methodology was not possible. With the discovery and development of three families of ruthenium‐based Z‐selective catalysts, the formation of Z‐olefins using metathesis is now not only possible but becoming increasingly prevalent in the literature. In particular, ruthenium complexes containing cyclometalated NHC architectures developed in our group have been shown to catalyze various cross metathesis reactions with high activity and, in most cases, near perfect selectivity for the Z‐isomer. The types of cross metathesis reactions investigated thus far are presented here and explored in depth.     

A Stereoselective Total Synthesis of Xyolide,a Natural Bioactive Nonenolide

A stereoselective total synthesis of xyolide, a naturally occurring bioactive nonenolide, has been accomplished. The acid fragment of the molecule has been prepared from D ‐mannitol and the alcohol fragment from (2Z)‐but‐2‐ene‐1,4‐diol. The synthesis involves the coupling of these two fragments using the Yamaguchi esterification protocol, followed by intramolecular ring‐closing methathesis. The diastereoisomeric alcohol fragment has also been utilized in this synthesis by employing the Mitsunobu esterification.     

Stereoselective Synthesis of the Non‐Lactonic Portion of (Z)‐Cryptofolione and Approaches towards Its Conversion to (Z)‐Cryptofolione

The stereoselective synthesis of the non‐lactonic part of the natural G₂ checkpoint inhibitor, (Z)‐cryptofolione, has been accomplished. Butane‐1,4‐diol was used as the starting material, and the stereogenic centers were generated through L ‐proline‐catalyzed α‐aminoxylation and Maruoka asymmetric allylation. We attempted to convert this non‐lactonic moiety to (Z)‐cryptofolione via olefin cross‐metathesis reaction, but by this approach another naturally occurring lactonic compound, goniothalamin, was obtained.     

Photooptical Properties of Polymethacrylates Having Cyanoazobenzene‐Containing Side Groups with Lateral Methyl Substituents and Different Spacer Length

New photochromic polymethacrylates with different spacer length having azobenzene side groups and lateral methyl substituents were synthesized. The phase behavior of polymethacrylates and their photooptical properties were studied and compared with unsubstituted analogues. It is shown that an introduction of lateral methyl substituents results in almost complete suppression of liquid crystalline (LC) phase formation and strong decrease of photoinduced dichroism values. It is found that rates of the photoinduced E‐Z isomerization and back thermal Z‐E isomerization are almost independent on spacer lengths. Due to the presence of lateral substituents, the photoinduced azobenzene Z‐form shows remarkable long lifetime, and back thermal conversion at room temperature takes more than 10 days. Specific peculiarities of the photoorientation process in polymer films under the polarized UV and visible light action were studied and their mechanism is suggested. © 2019 Wiley Periodicals, Inc. J. Polym. Sci., Part B: Polym. Phys. 2019 , 57, 1337–1342     

A fast algorithm for the spectral radii of weakly reducible nonnegative tensors

In this paper, we propose a fast algorithm for computing the spectral radii of symmetric nonnegative tensors. In particular, by this proposed algorithm, we are able to obtain the spectral radii of weakly reducible symmetric nonnegative tensors without requiring the partition of the tensors. As we know, it is very costly to determine the partition for large‐sized weakly reducible tensors. Numerical results are reported to show that the proposed algorithm is efficient and also able to compute the spectral radii of large‐sized tensors. As an application, we present an algorithm for testing the positive definiteness of Z‐tensors. By this algorithm, it is guaranteed to determine the positive definiteness for any Z‐tensor.     

The Versatile Electronic,Magnetic and Photo-Electro Catalytic Activity of a New 2D MA2Z4 Family**

The recent successful growth of MoSi₂N₄ and WSi₂N₄ monolayers led to the discovery of a new class of the two-dimensional (2D) MA₂Z₄ materials with no known 3D layered allotropes, which renders great possibilities to integrate diverse properties by proper design of sandwiched “MZ₂” building blocks and “A−Z” passivation layers. In this work, the dynamic stability, electronic properties, and surface reactivity of the new MA₂Z₄ family, in which M is Ti, Zr, Hf, V, Nb, Ta, Cr, Mo, W, A refers to Si or Ge, and Z is N, P or As, is theoretically probed. Among the proposed 54 possible combinations, about 42 compositions are dynamically stable, which vary from non-magnetic, anti-ferromagnetic, to ferromagnetic semiconductors, metals and half-metals. In particular, the VB (V, Nb, Ta) MA₂Z₄ possesses robust intrinsic ferromagnetism that is essential for spintronics applications. In regard to surface activity, most MA₂Z₄, particularly N- or P-terminated IVB and VB MA₂Z₄, have high catalytic potential for hydrogen evolution, and the ▵G_H of non-magnetic MA₂Z₄ is highly correlated to the highest occupied p electronic states of the surface Z atoms. The photocatalytic activity is also evaluated. MoSi₂N₄ and WSi₂N₄ within 4 % tensile strain are capable of photocatalytic overall water splitting. The findings indicate the new 2D MA₂Z₄ family has fascinating properties and possesses strong potential for applications but not limited to electronics, spintronics and catalysts, which will stimulate the interests of experimental synthesis.     

Experimental NMR and MS study of benzoylguanidines. Investigation of E/Z isomerism

Molecules containing the guanidinic nuclei possess several pharmacological applications, and knowing the preferred isomers of a potential drug is important to understand the way it operates pharmacologically. Benzoylguanidines were synthesized in satisfactory to good yields and characterized by NMR, Electrospray Ionization Mass Spectrometry (ESI‐MS) and Fourrier Transform InfraRed Spectroscopy techniques (FTIR). E/Z isomerism of the guanidines was studied and confirmed by NMR analysis in solution (¹H‐¹³C Heteronuclear Single Quantum Coherence (HSQC) and Heteronuclear Multiple‐Bond Correlation (HMBC), ¹H‐¹⁵N HMBC, ¹H‐¹H Correlation Spectroscopy (COSY) and Nuclear Overhauser Effect Spectroscopy (NOESY) experiments) at low temperatures. Compounds with p‐Cl and p‐Br aniline moiety exist mainly as Z isomer with a small proportion of E isomer, whereas compounds with p‐NO2 moiety showed a decrease in proportion of isomer Z. The results are important for the application of these molecules as enzymatic inhibitors. Copyright © 2013 John Wiley & Sons, Ltd.     

Novel One-Pot Synthesis of Functionalized (Z)-2-Arylvinyl Bromides

A novel and versatile one-pot synthesis of functionalized (Z)-2-arylvinyl bromides was developed. The new procedure involved microwave-induced debrominative decarboxylation of cinnamic acid dibromide with Et₃N and subsequent esterification in the presence of dicyclohexyl carbodiimide (DCC) and dimethyl-aminopyridine (DMAP).     

噁唑-苯甲酰胺类FtsZ受体抑制剂的3D-QSAR研究

FtsZ蛋白和细菌的繁殖过程有关,是药物设计理想的靶点。本文采用Sybyl分子模拟软件,利用比较分子场方法(CoMFA)及比较分子相似性指数的方法(CoMSIA)对已报道的33个噁唑-苯甲酰胺类FtsZ受体抑制剂进行了分析,建立了三维定量构效关系(3D-Qsar)模型。CoMFA模型的交互验证系数q2为0.619,线性回归系数r2为0.988;CoMSIA模型的q2为0.633,r2为0.936。模型具有较好的预测能力,为今后噁唑-苯甲酰胺类化合物的设计和改造提供了理论依据。