一种宽能谱多球中子谱仪能量响应的MC模拟

利用蒙特卡罗程序FLUKA模拟计算了聚乙烯慢化球和辅助材料慢化球对低能中子到高能中子的响应函数曲线。结果表明,对纯聚乙烯球来说,随着聚乙烯层厚度的增加,响应曲线峰逐步右移,峰值在高能区有所下降,对20 Me V以上的中子,无论纯聚乙烯球的尺寸有多大,其响应均下降到很低的程度;对辅助材料慢化球来说,中子能量小于1 Me V时,辅助材料慢化球与聚乙烯慢化球的响应曲线相似,但当中子能量大于20 Me V时,中子与辅助材料层发生(n,xn)反应,慢化球的响应呈显著上升趋势。分析计算结果,最终能够确定宽能谱多球中子谱仪的尺寸组合。     

Thermal study of HNIW(CL-20) and mixtures containing aluminum powder

The thermal behavior of the energetic material 2,4,6,8,10,12-hexanitro-2,4,6,8,10,12-hexaaza-tetracyclo-[5.5.0.0^5,9.0^3,11]-dodecane (HNIW or CL-20) and its mixtures with aluminum under linear temperature control condition and adiabatic condition were investigated by DSC-TG-MS-FT-IR and ARC. Two different particle sizes of aluminum powder (10 μm and 50 nm) were added into CL-20. The influence of particle size on the thermal behavior of CL-20 was studied by using of these apparatuses. The enthalpies of reaction and onset temperatures were determined for various heating rates. The kinetic parameters were found according to Kissinger method, Ozawa method, and Friedman method based on DSC data. The gaseous products from the decomposition of CL-20 and its mixtures were determined by simultaneous MS-FT-IR experiments. ARC measurements were performed to investigate the thermal stability of the samples. The onset temperature, adiabatic temperature rise, self-heat rate, time to maximum rate, and pressure–temperature profile were found from the data measured by ARC. Based on these results, the catalytic effect of aluminum powder was studied.     

Cerium‐Based M4L4 Tetrahedra as Molecular Flasks for Selective Reaction Prompting and Luminescent Reaction Tracing

The application of metal–organic polyhedra as “molecular flasks” has precipitated a surge of interest in the reactivity and property of molecules within well‐defined spaces. Inspired by the structures of the natural enzymatic pockets, three metal–organic neutral molecular tetrahedral, Ce‐TTS, Ce‐TNS and Ce‐TBS (H₆TTS: N′,N′′,N′′′‐nitrilotris‐4,4′,4′′‐(2‐hydroxybenzylidene)‐benzohydrazide; H₆TNS: N′,N′′,N′′′‐nitrilotris‐6,6′,6′′‐(2‐hydroxybenzylidene)‐2‐naphthohydrazide; H₆TBS: 1,3,5‐ phenyltris ‐4,4′,4′′‐(2‐hydroxybenzylidene)benzohydrazide), which exhibit different size of the edges and cavities, were achieved through self‐assembly by incorporating robust amide‐containing tridentate chelating sites into the fragments of the ligands. They acted as molecular flasks to prompt the cyanosilylation of aldehydes with excellent selectivity towards the substrates size. The amide groups worked as trigger sites and catalytic driven forces to achieve efficient guest interactions, enforcing the substrates proximity within the cavity. Experiments on catalysts with the different cavity radii and substrates with the different molecular size demonstrated that the catalytic performance exhibited enzymatical catalytic mechanism and occurred in the molecular flask. These amides were also able to amplify guest‐bonding events into the measurable outputs for the detection of concentration variations of the substrates, providing the possibility for metal–organic hosts to work as smart molecular flasks for the luminescent tracing of catalytic reactions.     

The effects of ultrasound frequency and power on the activation energy in Si-KOH reaction system

The activation energy is the minimum amount of energy required to initiate a reaction. It is one of the important indexes for appraising a reaction. The chemical reaction rate is closely related to the value of activation energy, and reducing activation energy is propitious to promoting a chemical reaction. In the present paper, the relationship between the activation energy in Si-KOH reaction system and the ultrasound frequency and power has been discussed for the first time. The range of ultrasound frequency and power is 40-100kHz （interval by 20kHz） and 10-50W （interval by 10W）, respectively. The experimental clata indicate that the activation energy decreases with the increasing ultrasound power. Comparing with the activation energy without ultrasound irradiation, the results in our paper indicate that ultrasound irradiation could reduce the activation energy in Si-KOH reaction system and increase the reaction rate.     

Graphene oxide assisted facile hydrothermal synthesis of LiMn0.6Fe0.4PO4 nanoparticles as cathode material for lithium ion battery

Assisted by graphene oxide（GO）,nano-sized LiMn0.6Fe0.4PO4 with excellent electrochemical performance was prepared by a facile hydrothermal method as cathode material for lithium ion battery.SEM and TEM images indicate that the particle size of LiMn0.6Fe0.4PO4（S2）was about 80 nm in diameter.The discharge capacity of LiMn0.6Fe0.4PO4 nanoparticles was 140.3 mAh-g^1 in the first cycle.It showed that graphene oxide was able to restrict the growth of LiMn0.6Fe0.4PO4 and it in situ reduction of GO could improve the electrical conductivity of LiMn0.6Fe0.4PO4 material.     

聚L-谷氨酸苄酯固定相的制备及色谱评价

利用L-谷氨酸苄酯开环聚合得到聚L-谷氨酸苄酯,对其进行表征,将聚L-谷氨酸苄酯溶于四氢呋喃后涂敷在3-氨丙基三乙氧基硅胶上制得液相色谱固定相,研究了正相色谱条件下聚L-谷氨酸苄酯涂敷型固定相对9种位置异构体及10种手性化合物的拆分能力。以不同比例的正己烷/异丙醇为流动相,有6种位置异构体(o,m,p-氯苯胺、o,m,p-溴苯胺、o,m,p-碘苯胺、o,m,p-硝基苯胺、o,m,p-二硝基苯和o,m,p-苯二胺)和4种手性化合物(1-(对氯苯基)乙醇、5-二硝基-N-(1-苯乙基)苯甲酰胺、华法林和四咪唑)得到不同程度的拆分,表明聚L-谷氨酸苄酯涂敷型固定相对位置异构体具有较好的识别作用,同时也表现出良好的手性拆分能力。     

DMSO-Enabled Selective Radical O−H Activation of 1,3(4)-Diols

Control of selectivity is one of the central topics in organic chemistry. Although unprecedented alkoxyl-radical-induced transformations have drawn a lot of attention, compared to selective C−H activation, selective radical O−H activation remains less explored. Herein, we report a novel selective radical O−H activation strategy of diols by combining spatial effects with proton-coupled electron transfer (PCET). It was found that DMSO is an essential reagent that enables the regioselective transformation of diols. Mechanistic studies indicated the existence of the alkoxyl radical and the selective interaction between DMSO and hydroxyl groups. Moreover, the distal C−C cleavage was realized by this selective alkoxyl-radical-initiation protocol.     

固相萃取-离子色谱法测定血液中草甘膦及其代谢物氨甲基膦酸

草甘膦是目前世界上使用量最大的除草剂之一,被广泛应用于控制农田或非耕作用地中一年生或多年生杂草的生长[1]。草甘膦是一种生物蛋白质合成抑制剂,其通过抑制5-烯醇丙酮莽草酸-3-磷酸盐合成酶(EPSPs)的活性,使植物体内蛋白质合成受阻,致使植物死亡[2]。草甘膦原药在美国毒性分级中被评定为Ⅲ,被认为是相对较安全的农药,但经商品化改造的草甘膦的毒性是前者的数倍[3],会造成人体上皮细胞膜的损伤[4]、细胞中的血浆损伤和线粒体功能受损[5],甚至有致癌的风险。