龙爪芦荟和库拉索芦荟中微量锗的测定与红外光谱区别

采用吸光光度法对龙爪芦荟和库拉索芦荟中的微量锗进行了测定,并探讨了两种芦荟的红外光谱的区别。结果表明,龙爪芦荟中含锗量在26.1～28.6μg·g-1,回收率为91.6%～97 5%。库拉索芦荟中含锗量在16.8～20.0μg·g-1,回收率为87.1%～94.5%。两种芦荟的FT IR光谱图在2100cm-1处有明显差异,由此可区别两种芦荟。     

The reactivity of complexed carbocycles : XII. Neutral dimetallic complexes with bridging cyclooctatetraene. X-ray structure of μ-[1–4:5–8η-cyclooctatetraene]cyclopentadienylcobalt-tricarbonylmolybdenum (CoMo)

The reaction of CpCoC₈H₈ with (diglyme)Mo(CO)₃, (CH₃CN)₃Cr(CO)₃ and (DMF)₃W(CO)₃ yields dimetallic complexes CpCoC₈H₈M(CO)₃ which contain bridging fluctional cyclooctatetraene. The electron deficiency of the Mo(CO)₃ groups relative to CpCo is believed to be balanced by a π-donor metal—metal bond. This is indicated by an unusually low absorption band in the IR spectrum, and by the X-ray structure of the CoMo dimer, which shows a shortened MoCO bond trans to the metal—metal bond. A further product is the nonfluctional dimer CpCoC₈H₈Mo(CO)₄, in which cyclooctatetraene retains a rigid “tub” conformation. Reaction of C₈H₈Fe(CO)₃ with (diglyme)Mo(CO)₃ also yields a dimeric product (CO)₃FeC₈H₈Mo(CO)₃ with a fluctional bridge ligand.     

Use of locally dense basis sets for nuclear magnetic resonance shielding calculations

The locally dense basis set approach to the calculation of nuclear magnetic resonance shieldings is one in which a sufficiently large or dense set of basis functions is used for an atom or molecular fragment containing the resonant nucleus or nuclei of interest and fewer or attenuated sets of basis functions employed elsewhere. Provided the dense set is of sufficient size, this approach is capable of determining chemical shieldings nearly as well as a calculation with a balanced basis set of quality equal to the locally dense set, but with considerable savings of CPU time. Detailed comparisons are provided of locally dense and balanced calculations in the gauge including atomic orbital (GIAO) method for the individual principal values, the isotropic shieldings, and the tensor orientations for hydrogen, carbon, nitrogen, oxygen, fluorine, and phosphorus nuclei. It is seen that chemical functional groups can often define the appropriate molecular fragment to be taken locally dense. While the present test cases are for the most part small molecules, the value of the method is that it will allow calculations on systems that would otherwise presently be computationally expensive or inaccessible. © John Wiley & Sons, Inc.     

微波促进的N-取代2,3,3a,4,7,7a-六氢异吲哚-1,3-二酮的Beller法合成

A rapid and facile synthesis of N-substituted 2,3,3a,4,7,7a-hexahydroisoindole-l,3-dione derivatives via microwave-promoted Beller three-component domino reaction of α,β,-unsaturated aldehydes, amides and N-substituted maleimides was described.     

On Mixed Pressure-Velocity Regularity Criteria to the Navier-stokes Equations in Lorentz Spaces,Part Ⅱ:The Non-slip Boundary Value Problem

This paper is a continuation of the authors recent work [Beir?o da Veiga, H.and Yang, J., On mixed pressure-velocity regularity criteria to the Navier-Stokes equations in Lorentz spaces, Chin. Ann. Math., 42(1), 2021, 1–16], in which mixed pressure-velocity criteria in Lorentz spaces for Leray-Hopf weak solutions of the three-dimensional NavierStokes equations, in the whole space R~3 and in the periodic torus T~3, are established. The purpose of the present work is to extend the result of mentio...     

A new proposal for the discretization of the Griffin—Wheeler—Hartree—Fock equations

A polynomial expansion is proposed as a new way to discretize the Griffin-Wheeler-Hartree-Fock equations of the Generator Coordinate Hartree-Fock method. The implementation of the polynomial expansion in the Generator Coordinate Hartree-Fock method discretizes the Griffin-Wheeler-Hartree-Fock equations through a numerical mesh which is not equally spaced. This procedure makes the optimization of Gaussian exponents in the Generator Coordinate Hartree-Fock method more flexible and more efficient. The results obtained with the polynomial expansion for atomic Hartree-Fock energies show this technique is very powerful when employed in the design of compact and high accurate Gaussian basis sets used in ab initio non-relativistic (Hartree-Fock) and relativistic (Dirac-Fock) calculations.     

COMPONENT ALLEE EFFECTS AND STAGE‐SPECIFIC PREDATION: A BRIEF INSIGHT INTO CONSERVATION AND BIOLOGICAL CONTROL ISSUES

In this paper, we propose a two‐stage structured population model subject to component Allee effects in fecundity and maturation, and with two disturbances (predation only and harvest and predation) acting on both stages. It is shown that this combination leads to a demographic Allee effect—a characteristic that could be exploited in pest biological control, but on the other hand, it represents a bane in conservation biology. The analysis is performed for disturbances with functional responses type 2 and 3, and the models show that they yield qualitatively similar results. This characteristic is discussed from the species conservation and biological control point of view, together with possible extensions of this work.     

基于多分辨分析的沪深股市相关性分析

为了有效地揭示沪深股市不同交易周期股票交易的相关性,本文采用极大重叠离散小波变换,将上证指数和深圳成指高频收益率分解在不同的交易周期上,对各个周期的收益率采用semi-GPD模型作为其边缘分布分别进行拟合,在此基础上采用Copula函数方法建立同周期收益率的联合分布,度量了沪深两市同周期交易的相关性.实证表明,不同交易周期所表现出的相关性存在明显差异,并且随着交易期的增长,沪深两市非对称结构逐步明显。     

Highly Catalytic Enantioselective Addition of Diethyl Zinc to Aldehydes and Chalcone in the Presence of Chiral Ligands

Catalytic asymmetric carbon-carbon bond formation is one of the most important reactions and have attracted much attention to develop more efficient enantioselective C-C formation methods in organic synthesis. In this field, asymmetric addition of diethylzinc to aldehydes[1] and conjugate addition to enones[2] have drawn special interests and have been greatly developed. Regardless of it, much spaces in these areas still exist, so it needs more extensive and intensive researches for the purpose of as follows: (1) attaching ligands to a polymer for the easy separation of the catalysts so as to be able to allow very efficient recovery and reuse of the catalysts, and the possibility of carrying out the desired transfomation in continuous mode in a flow reactor, etc., (2) searching for novel chiral catalysts with such features as more suitable for more extensive substrates varieties, and more convenient and economical as well as possessing applicable prospect, and so on. Here we report some works in these areas done in our laboratory.