[VS_4Cu_6(Py)_8I_3]的合成和晶体结构

在(NH4)3VS4/CuI/Py反应体系中合成了新化合物 [VS4Cu6(Py)8I3]并测定其晶体结构。该化合物(C40H40N8Cu6I3S4V)属正交晶系, 空间群为Fdd2, 晶胞参数为: a = 29.924(6), b = 13.475(3), c = 25.853(5) , V = 10425(4) ?, Dc = 2.006 g/cm3, Mr = 1573.92, Z = 8, (MoK) = 4.546 mm-1, F(000) = 6048。结构由直接法解出, 用全矩阵最小二乘法修正, 最终偏离因子R = 0.023, wR = 0.069。簇合物分子是由6个带端基配体的Cu沿着四面体单元VS4的6条SS边配位而成, 6个Cu排列成了1个八面体, V基本位于八面体的中心, 整个分子具有C2对称性。     

Shape preservation regions for six-dimensional spaces

We analyze the critical length for design purposes of six-dimensional spaces invariant under translations and reflections containing the functions 1, cos t and sin t. These spaces also contain the first degree polynomials as well as trigonometric and/or hyperbolic functions. We identify the spaces whose critical length for design purposes is greater than 2π and find its maximum 4π. By a change of variables, two biparametric families of spaces arise. We call shape preservation region to the set of admissible parameters in order that the space has shape preserving representations for curves. We describe the shape preserving regions for both families. To our friend Mariano Gasca on occasion of his 60th birthday Research partially supported by the Spanish Research Grant MTM2006-03388, by Gobierno de Aragón and Fondo Social Europeo.     

Plasmaneutrino spectrum

The spectrum of the neutrinos produced in the massive photon and longitudinal plasmon decay process has been computed with four levels of approximation for the dispersion relations. Some analytical formulae in the limit cases are derived. Interesting conclusions related to previous calculations of the energy loss in stars are presented. The high energy tail of the neutrino spectrum is shown to be proportional to exp(-E/kT), where E is the neutrino energy and kT is the temperature of the plasma. PACS 97.90.+j; 97.60.-s; 95.55.Vj; 52.27.Ep     

Dynamical dark energy models – dynamical system approach

We study the Friedmann-Robertson-Walker model with dynamical dark energy modelled in terms of the equation of state p _X = w _X (a(z)) ρ _X in which the coefficient w _X is parameterized by the scale factor a or redshift z. We use methods of qualitative analysis of differential equations to investigate the space of all admissible solutions for all initial conditions on the two-dimensional phase plane. We show advantages of representing this dynamics as a motion of a particle in the one-dimensional potential V(a). One of the features of this reduction is the possibility of investigating how typical big rip singularities are in the future evolution of the model. The properties of potential function V can serve as a tool for qualitative classification of all evolution paths. Some important features like resolution of the acceleration problem can be simply visualized as domains on the phase plane. Then one is able to see how large is the class of solutions (labelled by the inset of the initial conditions) leading to the desired property.     

Inferring mixed-culture growth from total biomass data in a wavelet approach

It is shown that the presence of mixed-culture growth in batch fermentation processes can be very accurately inferred from total biomass data by means of the wavelet analysis for singularity detection. This is accomplished by considering simple phenomenological models for the mixed growth and the more complicated case of mixed growth on a mixture of substrates. The main quantity provided by the wavelet analysis is the Hölder exponent of the singularity that we determine for our illustrative examples. The numerical results point to the possibility that Hölder exponents can be used to characterize the nature of the mixed-culture growth in batch fermentation processes with potential industrial applications. Moreover, the analysis of the same data affected by the common additive Gaussian noise still lead to the wavelet detection of the singularities although the Hölder exponent is no longer a useful parameter.     

Air-activated carbons from almond tree pruning: Preparation and characterization

In this work the results obtained in the preparation and characterization of carbons made from almond tree pruning by non-catalytic and catalytic gasification (using K and Co) with air are analyzed and discussed. The main aim was to obtain high quality activated carbons at the lowest possible cost. The variables studied have been the temperature (190-260 °C) and the time (1-10 h) in non-catalytic gasification and the influence of the catalyst type (K and Co, 1 wt.% referred to cation, at 190 °C and 1 h) and the time (1-4 h) in catalytic gasification with Co at 190 °C. The air flow rate used in all the series was 167 cm³ min⁻¹. In non-catalytic gasification the reaction normalized rate versus the conversion degree was maintained until a conversion value of 10% for the experiment made at 260 °C since, at lower temperatures, this rate drops quickly for low conversion values. The N₂ adsorption isotherms for the carbons of this series resemble type I, although there is an increase of N₂ adsorbed volume at relatively high pressures. A temperature rise produced an increase of the carbon porosity and BET specific surface (116-469 m² g⁻¹). The activation time has a positive effect on the N₂ volume adsorbed by the carbons. The isotherms shapes were similar to those previously commented. A concentration equal to 1 wt.% was used to study the influence of the catalyst type. Under the studied experimental conditions, Co drives to a bigger porosity development than K, although with both catalysts a very similar pore size distribution is obtained. The activation time, in the gasifications catalyzed with Co, gives rise to a very important porosity development in the carbons. This produces a strong increase of the carbon specific surface area with very high values in the 4 h experiment, in which a BET specific surface of 959 m² g⁻¹ was obtained.     

On Genuine Bernstein–Durrmeyer Operators

We continue the studies on the so–called genuine Bernstein–Durrmeyer operators U _n by establishing a recurrence formula for the moments and by investigating the semigroup T(t) approximated by U _n . Moreover, for sufficiently smooth functions the degree of this convergence is estimated. We also determine the eigenstructure of U _n , compute the moments of T(t) and establish asymptotic formulas. Received: January 26, 2007.     

Ultra <Emphasis Type="Italic">LI</Emphasis>-ideals in lattice implication algebras and <Emphasis Type="Italic">MTL</Emphasis>-algebras

A mistake concerning the ultra LI-ideal of a lattice implication algebra is pointed out, and some new sufficient and necessary conditions for an LI-ideal to be an ultra LI-ideal are given. Moreover, the notion of an LI-ideal is extended to MTL-algebras, the notions of a (prime, ultra, obstinate, Boolean) LI-ideal and an ILI-ideal of an MTL-algebra are introduced, some important examples are given, and the following notions are proved to be equivalent in MTL-algebra: (1) prime proper LI-ideal and Boolean LI-ideal, (2) prime proper LI-ideal and ILI-ideal, (3) proper obstinate LI-ideal, (4) ultra LI-ideal. This work was supported by the Zhejiang Provincial Natural Science Foundation of China (Grant No. Y605389) and K. C. Wong Magna Fund in Ningbo University.     

Electronic structure and vibrational spectra of cis-diammine(orotato)platinum(II), a potential cisplatin analogue: DFT and experimental study

Orotic acid (vitamin B₁₃) is a key intermediate in biosynthesis of the pyrimidine nucleotides in living organisms, moreover, it may serve as the biological carrier for some metal ions. cis-Diammine(orotato)platinum(II), cis-[Pt(C₅H₂N₂O₄)(NH₃)₂] can be considered as a new potential cisplatin analogue. The FT-Raman and FT-IR spectra of the title complex are reported, for the first time. The molecular structure, vibrational frequencies, and the theoretical infrared and Raman intensities have been calculated by the density functional mPW1PW91 method. The detailed vibrational assignment has been made on the basis of the calculated potential energy distribution. The theoretically predicted IR and Raman spectra show very good agreement with experiment. Natural bond orbital (NBO) analyses were performed for cisplatin, carboplatin and the title complex. The results provided new data on the nature of platinum–ligand bonding in these compounds. Strong intramolecular hydrogen bond between the orotate ligand and the coordinated ammonia group stabilizes the structure of the platinum(II) complex. Thus, it is suggested that the orotate ligand in the title complex is more inert to the substitution reactions than the chloride ligands in cisplatin.