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71.
The adsorption properties of NO molecule on anionic, cationic, and neutral Au(n) clusters (n=1-6) are studied using the density functional theory with the generalized gradient approximation, and with the hybrid functional. For anionic and cationic clusters, the charge transfer between the Au clusters and NO molecule and the corresponding weakening and elongation of the N-O bond are essential factors of the adsorption. The neutral Au clusters have also remarkable adsorption ability to NO molecule. The adsorption energies of NO on the cationic clusters are generally greater than those on the neutral and anionic clusters. 相似文献
72.
A highly sensitive and specific enzyme-linked immunosorbent assay (ELISA) method has been developed for the determination of 20(S)-protopanaxatriol (PPT), one of the major aglycones of dammarane-type ginseng saponins. Polyclonal antibodies raised against ginsenoside F1 (GF1)-bovine serum albumin showed high reactivities to PPT and GF1, whereas they exhibited minor or even no cross-reactivities to other ginsenosides and protopanaxadiol (0.19%). The working range of this method extends from 50 pg ml−1 to 20 ng ml−1 of PPT. The assay reported here has been validated against an HPLC technique using PPT-containing samples and was shown to correlate closely (γ=0.993). This ELISA could be a useful tool for the determination of PPT contained in biological fluids and plant materials. 相似文献
73.
基于SnO2为修饰层的Au-Pt / SnO2 / Au复合电极研究 总被引:1,自引:0,他引:1
用真空镀膜法在Au电极上沉积SnO2薄膜,在HAuCl4和H2PtCl4的混合溶液中利用直接还原法,将Au-Pt双金属纳米颗粒组装在SnO2 / Au电极上,得到Au-Pt / SnO2 / Au复合电极。采用SEM、TEM、XPS及CV曲线测定对Au-Pt / SnO2 / Au复合电极进行了表征。结果表明:复合电极上双金属纳米颗粒分布均匀,粒子粒径约为25 nm左右。SnO2作为修饰层以配位键与双金属纳米粒子结合。Au-Pt / SnO2 / Au复合电极具有良好对甲醇氧化的电化学性能。 相似文献
74.
The isospecific 3,4-polymerization of isoprene has been achieved for the first time by use of a combination of a binuclear rare earth metal dialkyl complex, such as [Me2Si(C5Me4)(mu-PCy)YCH2SiMe3]2 (Cy = cyclohexyl), and an equimolar amount of [Ph3C][B(C6F5)4] as a catalyst system. A DFT calculation suggested that a binuclear monocationic monoalkyl species, such as [Me2Si(C5Me4)(mu-PCy)Y(mu-CH2SiMe3)Y(mu-PCy)(C5Me4)SiMe2]+, in which the alkyl group bridges the two metal centers, could be the true catalyst species. 相似文献
75.
π‐Allyl (η3‐C3H5), a four‐electron donor, was used as a ligand model to replace η5‐C5Me4SiMe3 in DFT calculations on the tetranuclear yttrium polyhydrido complex (η5‐C5Me4SiMe3)4Y4H8 containing a Y4H8 tetrahedral core structure, which may separate the four π‐allyl groups and hence suppress the allyl ligand coupling during the computation. In terms of the calculated core geometry, isomerization energy barrier, charge population, and frontier orbital features of the complex, the η3‐C3H5 ligand model is comparable to η5‐C5H5. © 2006 Wiley Periodicals, Inc. Int J Quantum Chem, 2007 相似文献
76.
What is the most favorite and original chemistry developed in your research group? We focus on developing new organic photovoltaic materials and exploring their applications in photovoltaic devices. Based on the new materials, we can figure out the correlations among chemical strictures, optoelectronic properties, and photovoltaic behaviors. Our group originally demonstrated quite a few build blocks for making conjugated polymers for photovoltaic applications, some of them have been broadly used by the researchers in the field. How do you get into this specific field? Could you please share some experiences with our readers? I got into this field when I was a graduate student in 2002, just because my supervisor gave me a research topic for synthesis of new conjugated polymers. At that moment, as a fresh graduate student, I had no chance to say yes or no, but to do it. The field of organic solar cells is oriented by the new organic photovoltaic materials. In the past decades, the materials have been updated for a few generations, which promoted the device performance to be higher and closer to practical applications. We have to concentrate on the fundamental problems but also need to follow the pace of the filed. How do you supervise your students? In my opinion, the students need more specific projects to get into the field so as to be well trained at the beginning. In the later stage, I prefer to encourage them to find and creatively figure out the real fundamental problems. I used to give them a few questions: Why do you need to do this project? How to make a clear definition for the problem? Can you suggest a new and better approach to solve it? What is the most important personality for scientific research? Passion, perseverance and sense of innovation. What is your favorite journal(s)? The journals publishing the latest and/or systematic research works in chemistry and material science. 相似文献
77.
Chen P Nie S Mi W Wang XC Liang SP 《Rapid communications in mass spectrometry : RCM》2004,18(2):191-198
A simple method of solid-phase derivatization and sequencing of tryptic peptides has been developed for rapid and unambiguous identification of spots on two-dimensional gels using post-source decay (PSD) matrix-assisted laser desorption/ionization (MALDI) mass spectrometry. The proteolytic digests of proteins are chemically modified by 4-sulfophenyl isothiocyanate. The derivatization reaction introduces a negative sulfonic acid group at the N-terminus of a peptide, which can increase the efficiency of PSD fragmentation and enable the selective detection of only a single series of fragment ions (y-ions). This chemically assisted method avoids the limitation of high background normally observed in MALDI-PSD spectra, and makes the spectra easier to interpret and facilitates de novo sequencing of internal fragment. The modification reaction is conducted in C(18) microZipTips to decrease the background and to enhance the signal/noise. Derivatization procedures were optimized for MALDI-PSD to increase the structural information and to obtain a complete peptide sequence even in critical cases. The MALDI-PSD mass spectra of two model peptides and their sulfonated derivatives are compared. For some proteins unambiguous identification could be achieved by MALDI-PSD sequencing of derivatized peptides obtained from in-gel digests of phosphorylase B and proteins of hepatic satellite cells (HSC). 相似文献
78.
Hu Chuanjiang Duan Chunying Meng Qingjin Liu Yongjiang Lu Changsheng Reng Xiaoming Chen Yijun Cao Mi 《Transition Metal Chemistry》2000,25(2):141-144
The mixed-valence molybdovanadate compound Na2(NH4)4[VIVVV
8Mo)O28] · 10H2O [Vanadata(6-)tetradeca--oxotetra-3-oxodi-6-oxoheptaoxo(oxomolybdate) nonatetrammonium disodium, decahydrate] has been synthesized from sodium molybdate(VI) dihydrate and sodium metavanadate dihydrate in aqueous solution by adding NH2OH · HCl. The molecular structure has been determined by X-ray diffraction and is based on the isopolydecavanadate structure. The molybdate atom is crystallographically disordered over 6MO6 octahedral sites. The e.s.r. spectrum clearly indicates that one vanadium atom has the oxidation number +4. 相似文献
79.
In this work, an integral equation approach to investigate the atactic polystyrene (aPS) melt based on polymer reference interaction site model (PRISM) theory is proposed. The intramolecular structure factors, required as input to PRISM theory, are obtained from the semiflexible chain model. With a novel coarse-graining procedure and the explicit-atom molecular-dynamics (MD) simulations for aPS, the parameters needed for the coarse-grained model are obtained by using an automatic simplex optimization. These parameters can be used to describe the structure and thermodynamic properties of the complex aPS melt and good agreement is obtained between the theory and MD simulations. The proposed integral equation approach provides a basis for describing the structure and properties of PS nanocomposites where the application of molecular simulation is difficult. 相似文献
80.