An artificial ionophore based on a polyhydroxylated steroid dimer

The Na+ transporting properties of the first member of a new class of artificial ionophores, based on a C2-symmetric polyhydroxylated steroid dimer, are described.     

Determination of activation energies in the annealing of cobalt recoil atoms in single and double complexes

Activation energies for the recombination of point defects generated by the /n,/ reaction in Ba (CoEDTA)₂·4H₂O, t-(Co(en)₂(NO₂)₂)Cl and (Co(en)₂(NO₂)₂) (CoEDTA)·1H₂O, have been evaluated using isothermal step annealing. The reselts were interpreted in terms of compound structures. It is possible to relate the recoil atom behaviour between single complexes and the double one.     

Quassinoids from Picrasma crenata

From woods of Picrasma crenata, a new stereoisomer dihydronorneoquassin was obtained together with others well knowns dihydronorneoquassin, parain, alpha-neoquassin, beta-neoquassin and quassin. The structures were determined by spectroscopic data and chemical evidence.     

Rapid and simple method for the determination of alpha 1-acid glycoprotein in serum by column liquid chromatography.

A rapid and simple method for the determination of alpha 1-acid glycoprotein (AAG) in serum was developed by using an anion-exchange column for clean-up of serum and a hydroxyapatite column for high-performance liquid chromatography (HPLC). A good correlation was observed between this HPLC method and the conventional radial immunodiffusion method. The method may also be used to determine the AAG concentration in the serum of experimental animals.     

High resolution electrospray and electrospray tandem mass spectra of rotenone and its isoxazoline cycloadducts

An evaluation of the gas-phase ion chemistry of rotenone (1) by electrospray ionisation (ESI) mass spectrometry (MS) and tandem mass spectrometry (MS2) is presented, aiming at providing tools for its determination in natural and biological matrices. The behaviour of its cycloadducts with benzonitrile-N-oxide (2) and 2,4,6-trimethylbenzonitrile-N-oxide (3) was also evaluated and the MS data thus obtained have provided evidence into the mechanism of formation of the key product ion at m/z 192 which can be considered a marker in the MS and MS2 spectra of rotenone and its derivatives.     

过渡金属大环配合物的研究Ⅲ 4-硝基-苯并15冠-5与钴(Ⅱ)、铜(Ⅱ)和银(Ⅰ)配合物的合成及性质

有关冠醚配体与碱金属,碱土金属和稀土离子形成配合物的特性研究,国内外均有报导,但冠醚与d-过渡金属离子配合物的研究工作,则开展较晚,文献报导亦甚少。本文为探讨4-硝基-苯并15冠-5(No_2·B15C15)与过渡金属离子的配位能力,合成了Co(Ⅱ),Cu(Ⅱ),和Ag(Ⅰ)与4-硝基-苯并15冠-5配合物。并进行了元素分析,X-射线衍射,红外光谱,摩尔电导,激光拉曼光谱及差热-热失重分析的研究。     

Time-resolved spectroscopy of solid poly(1-vinyl naphthalene)following electron beam pulse radiolysis: pulse radiolytic studies on polymers

Transient emission studies following pulse radiolysis of solid poly(1-vinyl naphthalene) show existence of excited monomers and two excimers. Quenching experiments indicate that excimers are not formed directly by recombination of ions but probably by trapping of migrating monomeric excitation in performed traps whose density is approximately one in 10³.     

Structural and dynamical properties of surfaces from ab-initio molecular dynamics

The recent application to the semiconductor surfaces of the powerful ab-initio molecular dynamics (Car-Parrinello) method [R. Car, M. Parrinello, Phys. Rev. Lett. 55, 2471 (1985)] will be reviewed. The essential features of the method will be addressed first, then we will review a number of recent studies on the properties of the clean and adsorbate covered surfaces of Si, Ge and GaAs, obtained through Car-Parrinello simulations. Finally an original application of the ab-initio molecular dynamics for the clean and hydrogenated GaAs(110) surfaces is presented.     

X-ray magnetic circular dichroism of Pseudomonas aeruginosa nickel(II) azurin

We show that X-ray magnetic circular dichroism (XMCD) can be employed to probe the oxidation states and other electronic structural features of nickel active sites in proteins. As a calibration standard, we have measured XMCD and X-ray absorption (XAS) spectra for the nickel(II) derivative of Pseudomonas aeruginosa azurin (NiAz). Our analysis of these spectra confirms that the electronic ground state of NiAz is high-spin (S = 1); we also find that the L(3)-centroid energy is 853.1(1) eV, the branching ratio is 0.722(4), and the magnetic moment is 1.9(4) mu(B). Density functional theory (DFT) calculations on model NiAz structures establish that orbitals 3d(x2-y2) and 3d(z2) are the two valence holes in the high-spin Ni(II) ground state, and in accord with the experimentally determined orbital magnetic moment, the DFT results also demonstrate that both holes are highly delocalized, with 3d(x2-y2) having much greater ligand character.     

Photocatalysis of sprayed nitrogen-containing Fe2O3–ZnO and WO3–ZnO composite powders in gas-phase acetaldehyde decomposition

Two series of nano-sized N-containing MO_x–ZnO (M: Fe, W) composite powders were synthesized by spray pyrolysis. The nitrogen content was controlled from 500 to 2100 ppm by changing the powder ingredients and spray pyrolysis temperature. Ultraviolet-visible (UV-Vis) spectra indicated that the N-containing MO_x–ZnO powders absorbed not only ultraviolet light (λ<387 nm) like pure ZnO powder, but also part of visible light (λ<650 nm). Acetaldehyde decomposition was used as a probe reaction to evaluate the photocatalysis of these composite powders. The photocatalytic activity of the N-containing ZnO powder was pronouncedly enhanced by the WO₃ addition under both UV and visible-light irradiation. However, that of the N-containing ZnO powder was suppressed by the Fe₂O₃ addition. A model of the semiconductor energy-band structure is proposed to explain the enhancement and suppression of photocatalytic activity.