表面包覆保护的新型正极材料LiFeBO3电化学性能

以偏硼酸锂和草酸亚铁为原料,采用固相反应,合成了用于动力锂离子电池新型正极材料LiFeBO3,并用乙丙共聚物（EPM）对该材料进行包覆保护处理;采用XRD、SEM和元素分析等测试技术对样品进行表征。 实验表明,LiFeBO3具有较高的放电重量比容量,而且包覆EPM后的硼酸铁锂具有更好的电化学性能,5%EPM包覆的硼酸锂首次放电容量达190 mA·h/g,0.5 C下充放电循环50次后容量衰减只有4.2%。     

甘草参与的B-Z振荡反应研究

以H+-Mn2+-BrO-3-CH3COCH3-甘草组成的化学振荡体系,应用电化学工作站记录电位(E)随时间(t)的变化,绘制化学振荡曲线.通过考察反应条件及反应物的浓度等因素对振荡曲线的影响,优化最佳的振荡反应条件,计算反应的活化能,推断反应的机理.为利用此方法鉴别中草药及研究中药治疗疾病提供理论依据.     

Synthesis and antimicrobial activity of some novel ferrocene-based Schiff bases containing a ferrocene unit

In the present investigation, a series of ferrocene-based Schiff bases 5a?Cm were synthesized by the condensation of various chalcones 3a?Cm with S-benzyl dithiocarbazate in absolute ethanol using catalytic amount of glacial acetic acid, and characterized by element analysis,¹H NMR,¹³C NMR, and IR. The synthesized compounds were screened for their in vitro antimicrobial activity against four bacterias (Staphylococcus aureus ATCC 9144, Bacillus cereus ATCC 11778, Escherichia coli ATCC 25922, and Pseudomonas aeruginosa ATCC 43288) and two fungals (Aspergillus niger ATCC 9092 and Aspergillus fumigatus ATCC 46645) strains. The Schiff bases 5g, 5h, and 5m against Gram-positive bacterial (E. coli and P. aeruginosa) strains was found to be higher than that for the standard drug. They are potential new drugs in antibacterial activity aspects in further days.     

Determination of catalytic oxidation products of phenol by RP-HPLC

A reversed-phase high-performance liquid chromatography (RP-HPLC) with ultraviolet detection was established for the determination of phenol, catechol, hydroquinone, and p-benzoquinone in the reaction solution of catalytic oxidation of phenol using hydrogen peroxide as the oxidant and copper-doped FeSBA-15 zeolite as the catalyst. Separation was accomplished on a reversed-phase C₁₈ column, and the elution condition was optimized by changing the composition of the mobile phase. A good resolution of all of the relative components in the reaction solution was achieved when the mobile phase was methanol–water–1% acetic acid aqueous solution = 10:50:40 (v/v/v). The concentrations of phenol, catechol, hydroquinone, and p-benzoquinone were determined in 11 different reaction solutions by the external standard method. The proposed HPLC method was simple, accurate, reliable, and suitable for tracing the amount of target products during the catalytic oxidation reaction of phenol. The results can provide data support for evaluating the properties of catalysts, and, thus, guide the selection of catalysts for the industrial production of dihydric phenol.     

DNA‐Directed Growth of Pd Nanocrystals on Carbon Nanotubes towards Efficient Oxygen Reduction Reactions

Unique DNA‐promoted Pd nanocrystals on carbon nanotubes (Pd/DNA–CNTs) are synthesized for the first time, in which through its regularly arranged PO₄^3? groups on the sugar–phosphate backbone, DNA directs the growth of ultrasmall Pd nanocrytals with an average size of 3.4 nm uniformly distributed on CNTs. The Pd/DNA–CNT catalyst shows much more efficient electrocatalytic activity towards oxygen reduction reaction (ORR) with a much more positive onset potential, higher catalytic current density and better stability than other Pd‐based catalysts including Pd nanocrystals on carbon nanotubes (Pd/CNTs) without the use of DNA and commercial Pd/C catalyst. In addition, the Pd/DNA–CNTs catalyst provides high methanol tolerance. The high electrocatalytic performance is mainly contributed by the ultrasmall Pd nanocrystal particles grown directed by DNA to enhance the mass transport rate and to improve the utilization of the Pd catalyst. This work may demonstrate a universal approach to fabricate other superior metal nanocrystal catalysts with DNA promotion for broad applications in energy systems and sensing devices.     

Density Functional Theoretical Study of Polynitrogen Compounds N5+Y− (Y=B(CF3)4, BF4, PF6 and B(N3)4)

The structures and the stabilities of polynitrogen compounds N₅⁺Y^? [Y=B(CF₃)₄, BF₄, PF₆, and B(N₃)₄], as the potential high energy density compounds, have been investigated at the B3LYP/6‐31G(d,p) and B3LYP/6‐311+G(d,p) levels. On the basis of our geometry optimization calculations, the structural properties of the N₅⁺Y^? compounds are discussed, and it is found that the combination of the N₅⁺ cation and the Y^? anions leads to distortion of the structures of the Y^? anions. Based on the TS calculations for the N₂‐loss dissociations of the N₅⁺Y^? compounds, the stabilities of these compounds are discussed, and the following conclusion can be drawn that among the four compounds, N₅⁺B(CF₃)₄^? is the most stable one and N₅⁺B(N₃)₄^? is the most unstable, and the relative stability of these compounds is always consistent using different basis sets. From these discussions, it is revealed that there are close correlations between the stuctrual distortions of the Y^? anions and the stabilities of the N₅⁺Y^? compounds, and between the nitrogen content in the compounds and the stabilities of the N₅⁺Y^? compounds.     

Measurement of cosmic radiation dose to air crew connecting for a typical polar route flight

In order to compare cosmic radiation dose for air crew including pilot and flight attendant between polar route flight and non-polar route flight, a typical polar flight route that is from Beijing to New York was selected and compared with non-polar route. Optically stimulated luminescence dosimeter and track etch detector CR-39 were worn as personal dosimeters to measure the cosmic radiation dose to air crew. The mean annual effective dose for air crew from polar route and non-polar route was (5.79 ± 0.92) mSv/year and (2.14 ± 0.64) mSv/year, respectively. The effective dose per 1,000 flight hours for air crew was (3.10 ± 0.27) mSv/1,000 h and (2.21 ± 0.46) mSv/1,000 h, respectively. The result is analyzed by using SPSS 15.0 statistical software. There was significant difference between the two groups for both mean annual effective dose (t = 30.25, P < 0.05) and the effective dose per 1,000 flight hours (t = 7.60, P < 0.05). The dose to pilot was higher than that of flight attendant for both polar route and non-polar route, and there was significant difference between them, for polar route (t = 7.96, P < 0.05), for non-polar route (t = 4.70, P < 0.05). The effective dose from cosmic radiation to air crew of polar route was higher than that of non-polar route, however, it did not exceed 20 mSv/year, which is the limit on cosmic radiation exposure set by many countries in the world.     

Amorphization of nanocrystalline monoclinic ZrO(2) by swift heavy ion irradiation

Bulk ZrO(2) polymorphs generally have an extremely high amorphization tolerance upon low energy ion and swift heavy ion irradiation in which ballistic interaction and ionization radiation dominate the ion-solid interaction, respectively. However, under very high-energy irradiation by 1.33 GeV U-238, nanocrystalline (40-50 nm) monoclinic ZrO(2) can be amorphized. A computational simulation based on a thermal spike model reveals that the strong ionizing radiation from swift heavy ions with a very high electronic energy loss of 52.2 keV nm(-1) can induce transient zones with temperatures well above the ZrO(2) melting point. The extreme electronic energy loss, coupled with the high energy state of the nanostructured materials and a high thermal confinement due to the less effective heat transport within the transient hot zone, may eventually be responsible for the ionizing radiation-induced amorphization without transforming to the tetragonal polymorph. The amorphization of nanocrystalline zirconia was also confirmed by 1.69 GeV Au ion irradiation with the electronic energy loss of 40 keV nm(-1). These results suggest that highly radiation tolerant materials in bulk forms, such as ZrO(2), may be radiation sensitive with the reduced length scale down to the nano-metered regime upon irradiation above a threshold value of electronic energy loss.     

The total synthesis of a ganglioside Hp-s1 analogue possessing neuritogenic activity by chemoselective activation glycosylation

The total synthesis of ganglioside 2, an analogue of the ganglioside Hp-s1 (1) which displays neuritogenic activity toward the rat pheochromocytoma cell line PC-12 cell in the presence of nerve growth factor (NGF) with an effect (34.0%) greater than that of the mammalian ganglioside GM 1 (25.4%), was accomplished by applying a chemoselective-activation glycosylation strategy. Moreover, we also demonstrate that the synthesized ganglioside 2 exhibited neuritogenic activity toward the human neuroblastoma cell line SH-SY5Y without the presence of NGF.