MoO3、NiO、ZnO在小表面金红石上的分散行为

Dispersion of MoO3, NiO, ZnO on rutile TiO2 with low specific surface area was studied with Mercury Porosimeter, SEM, XPS and Ammonia Extraction method. The dispersion thresholds of MoO3, NiO, ZnO on three rutile TiO2 carriers were obtained with XPS, and com-pared with those on anatase TiO2 with high specific surf are area. Ammonia Extraction method was used to identify the surface oxide species interarting with support surface in different strength and it was found that the proportions of oxides that can not be extracted by ammonia extraction are different for MoO3, NiO and ZnO which are supported on rutile TiO2.     

热机械法研究聚丙烯腈纤维的超分子结构 Ⅱ.热溶胀收缩法测定取向因素

本文测定了一系列不同热拉伸比的风干PAC纤维的热溶胀收缩率,发现有一个剧烈的熵收缩阶段,继之以一个缓慢收缩阶段,用一个大分子收缩模型,将熵收缩S′与实测的二色性取向因素相联系,发现(?)(取向角余弦的均方)与S′成线性相关。 假定缓慢收缩是由于解取向,用同一模型可以推导出一个方程式,用来计算cos~2α_m,(?)值和cos~2α_m值的接近,说明缓慢收缩是由于解取向的假设是有根据的。     

Preparation and characterization of polyvinyl alcohol-capped CdSe nanoparticles at room temperature

Polyvinyl alcohol (PVA)-capped CdSe nanoparticles were successfully prepared by a one-step solution growth technique at room temperature and ambient pressure. X-ray diffraction, transmission electron microscopy, infrared spectra, and X-ray photoelectron spectra were used to characterize the final product. The as-prepared CdSe nanocrystals were well dispersed and uniform in shape and the diameter of the particles was confined within 8 nm. Ultraviolet-visible absorption spectra were used to study the confined growth process of PVA-capped CdSe nanoparticles. Photoluminescence measurement showed the near band-edge luminescence of the final product.     

A kinetic stability study of MN (MBe,Mg, Ca,Sr, and Ba)

This work describes a structure and kinetic stability study of some complexes with the general formula MN, where M are the alkaline earth metal atoms, Be, Mg, Ca, Sr, and Ba. A complex (A) with two points of attachment to the N₅ ring is the most energetically favored for all metals considered here. Except for Be, structure (B) containing a mono‐coordinated metal atom is a transition state corresponding to the metal atom transfer around the N₅ ring. Pyramidal structure (C) is kinetically unstable with the low isomerization barrier height, ranging from 0.9 to 6.7 kcal/mol. The dissociation barrier heights for the lowest energy isomers (A) are predicted to be 1.2–18.7 kcal/mol (Be to Ba), indicating that kinetic stability increases from lighter to heavier metal atoms. © 2004 Wiley Periodicals, Inc. Int J Quantum Chem, 2004     

Hydrolysis of cephanone in the micelles with different charges

The hydrolysis of cephanone in water and micelles with different charges was studied by UV-vis absorption spectroscopy. The change of pH with the hydrolysis of cephanone was determined. The mechanism of the hydrolysis and the effect of the acidity of the media on the hydrolysis were studied. The results show that the hydrolysis rate of cephanone increases with the acidity. Compared with water, SDS micelles accelerate this hydrolysis, whereas CTAB and Triton X-100 micelles suppress it. The effects of the micelles with different charges on the hydrolysis are explained by the proton concentration of the micro-environment where cephanone exists and by the charge density of the polar group of the cephanone molecules.     

DFT study and Monte Carlo simulation on proton transfers of 2-amino-2-oxazoline, 2-amino-2-thiazoline, and 2-amino-2-imidazoline in the gas phase and in water

Density functional theory (DFT) and Monte Carlo (MC) simulation with free energy perturbation (FEP) techniques have been used to study the tautomeric proton transfer reaction of 2-amino-2-oxazoline, 2-amino-2-thiazoline, and 2-amino-2-imidazoline in the gas phase and in water. Two reaction pathways were considered: the direct and water-assisted transfers. The optimized structures and thermodynamic properties of stationary points for the title reaction system in the gas phase were calculated at the B3LYP/6-311+G(d, p) level of theory. The potential energy profiles along the minimum energy path in the gas phase and in water were obtained. The study of the solvent effect of water on the proton transfer of 2-amino-2-oxozoline, 2-amino-2-thiazoline, and 2-amino-2-imidazoline indicates that water as a solvent is favorable for the water-assisted process and slows down the rate of the direct transfer pathway.     

Fast electron transfer repair of oxidizing OH adduct of dGMP by chlorogenic acid

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制备方法对Mg1.9Al0.1Ni合金储氢性能的影响

文中采用机械合金化(MA)和氢化燃烧法(HCS)制备了Mg1.9Al0.1Ni,通过对它们储氢性能的对比研究发现,MA优于HCS.采用MA制得的Mg1.9Al0.1Ni储氢合金具有较高的活性和高储氢量,对PCT结果进行计算,得出温度和氢平衡压的关系式.Mg1.9Al0.1Ni(MA)553K时100s内吸放氢量分别为2.67和2.54 mass%H.用XRD方法进行物相分析,表明添加适量Al没有改变Mg2Ni的物相结构,由于MA能够制备出纳米晶粒,使得Mg1.9Al0.1Ni合金具有更好的储放氢动力学性能.     

LyP-1 peptide-functionalized gold nanoprisms for SERRS imaging and tumor growth suppressing by PTT induced-hyperthermia

The gold nanoprisms (GNPs) have exhibited special plasmonic properties for biomedical applications because of their unique shapes and dimensions. Based on their optical performance, the NIR dye IR780 not only enabled the GNPs-based nanosystem as SERRS nanoparticles for Raman-encoded molecular imaging, but also enhanced the plasmonic photothermal property by laser irradiation. Meanwhile, the GNPs/IR780-Lyp-1 by introduction of tumor-homing peptide segment LyP-1, which presents high affinity to p32 protein, demonstrated the increased enrichment in tumor region and enhanced photothermal therapy efficacy.