Theoretical study of endohedral metallofullerenes: Sc3−nLanN@C80 (n=0–3)

To provide theoretical insight into the structures and properties of Sc₃N@C₈₀, which has been isolated in high yield and purity as a new stable endohedral metallofullerene, density functional calculations are carried out for the Sc_3?nLa_nN@C₈₀ (n=0–3) series. Because of electron transfer from Sc₃N to C₈₀, the electronic structure of Sc₃N@C₈₀ is formally described as (Sc₃N)⁶⁺C$_{80}^{6-}$. The encapsulated Sc₃N cluster takes a planar structure with long Sc–Sc distances and is highly stabilized inside the I_h cage of C₈₀, which rotates rapidly. As the number of La atoms increases, the Sc_3?nLa_nN cluster is forced to maintain a pyramidal structure in Sc_3?nLa_nN@C₈₀. In addition, the C₈₀ cage takes an open‐shell electronic structure due to an increase in the number of electrons transferring from Sc_3?nLa_nN. These make the endohedral structure less stable and more reactive. © 2001 John Wiley & Sons, Inc. J Comput Chem 22: 1353–1358, 2001     

Supercritical carbon dioxide extraction of Mentha pulegium L. essential oil

The dependence of Mentha pulegium L. (pennyroyal) essential oil composition, obtained by supercritical carbon dioxide (SC-CO₂), with the following parameters: pressure, temperature, extraction time (dynamic), and modifier (methanol) was studied. The results were also compared with those obtained by conventional hydrodistillation method in laboratory conditions. Regarding the percentages of menthone (30.3%) and pulegone (52.0%), the optimum SFE results were obtained at the following experimental conditions: pressure=100 atm, T=35 °C, dynamic time=10 min, and V_modifier=0 μl. The results of hydrodistillation showed that the major components of M. pulegium L. were pulegone (37.8%), menthone (20.3%), and piperitenone (6.8%). The evaluation of the composition of each extract was performed by gas chromatography-mass spectrometry.     

Determination of Taurine in Lycium Barbarum L. and Other Foods by Capillary Electrophoresis with Electrochemical Detection

A method based on capillary electrophoresis (CE) with electrochemical detection (ED) was developed for the determination of taurine in Lycium Barbarum L., LIPOVIYAN beverage and milk powder. The effects of some important factors such as the acidity of the running buffer, separation voltage, injection time, and applied potential to working electrode were investigated. Operated in a wall‐jet configuration, a 300 μm diameter carbon‐disk electrode was used as the working electrode, which exhibits good responses at +1.05 V (vs. SCE) for taurine. Excellent linearity was obtained in the concentration range from 5.0×10^?4 mol/L to 5.0×10^?6 mol/L. The detection limit (S/N=3) was 1.0×10^?7 mol/L. This proposed method has been successfully applied to analyze the actual samples with satisfactory assay results.     

The Discrete Approximation of Continuous-state Nonlinear Branching Processes in Lévy Random Environments北大核心CSCD

In this paper, we establish the discrete approximation of continuous-state nonlinear branching processes in Lévy random environments by using tightness and convergence sequence in infinite dimensional product space via stochastic differential equations. Taking α-stable branching as an example, the conditions which are given to discretize continuous-state nonlinear branching processes in Lévy random environments are verified. © 2022 Chinese Academy of Sciences. All rights reserved.     

Asymptotic Behavior of a Stochastic Predator-prey Model with Beddington-DeAngelis Functional Response and L\'{e}vy Jumps

A stochastic two-prey-one-predator model with Beddington-DeAngelis functional response and L\''{e}vy jumps is proposed and investigated in this paper. First of all, we prove the existence and uniqueness of the global positive solution, and stochastic ultimate boundedness of the solution. Next, under a simple assumption, by using It\^{o} formula and other important inequalities, some sufficient conditions are established to ensure the extinction and persistence in the mean of the system. The results show that neither strong white noise nor L\''{e}vy noise is conducive to the persistence of the population. Finally, the theoretical results are verified by numerical simulations.     

Invariant manifolds and global error estimates of numerical integration schemes applied to stiff systems of singular perturbation type -- Part I: RK-methods

Summary. For implicit RK-methods applied to singularly perturbed systems of ODEs it is shown that the resulting discrete systems preserve the geometric properties of the underlying ODE. This invariant manifold result is used to derive sharp bounds on the global error of RK-solutions. Received August 26, 1993 / Revised version received May 10, 1994     

Maximal estimates on measure spaces for weak-type multipliers

We describe sufficient conditions for transferring from locally compact abelian groups to measure spaces the weak-type bounds of maximal operators defined by multipliers of weak type. This leads to homomorphism theorems for maximal multiplier operators. Communicated by Guido Weiss     

C*-dynamical systems that are asymptotically highly anticommutative

It is shown that with probability 1 on , resp. ongx the irrational rotation algebra with respect to the CAT map and the generalized Price-Powers shiftA _X are asymptotically highly anticommutative.     

The non-existence of symplectic multi-derivative Runge-Kutta methods

A sufficient condition for the symplecticness ofq-derivative Runge-Kutta methods has been derived by F. M. Lasagni. In the present note we prove that this condition can only be satisfied for methods withq1, i.e., for standard Runge-Kutta methods. We further show that the conditions of Lasagni are also necessary for symplecticness so that no symplectic multi-derivative Runge-Kutta method can exist.This research has been supported by project PB89-0351 (Dirección General de Investigación Científica y Técnica) and by project No. 20-32354.91 of Swiss National Science Foundation.     

The distribution of square-full integers

Let , wheref(n) is the characteristic function of square-full integers. A formula is proved that can be used to obtain better upper bound estimate for (x). We get (x)=O(x ^5/33+), which improves the exponent 11/72 obtained by R. Blasubramania and K. Ramachandra.