Voltammetric Determination of Antibacterial Nitro‐Compounds at Activated Carbon Fibre Microelectrodes

The electrochemical behavior of the nitrofuran antibiotics nitrofurantoin (NFA) and nitrofurazone (NFZ), as well as the related nitroimidazole drug, metronidazole (MNZ) at electrochemically activated carbon fibre microelectrodes (CFMEs) is reported. These nitrofurans have been widely used in the form of feed additives for the treatment of gastrointestinal infections in cattle, pigs and poultry. Electrochemical activation of CFMEs by repetitive square‐wave (SW) voltammetric scans between 0.0 and +2.6 V, produced an unexpected high cathodic response from these compounds. This is attributed to the increase of the carbon fibre surface area due to its fracture and the appearance of deep fissures along the main fibre axis. Penetration of the nitroderivative compounds into the micro‐channels of the activated fibres was profited to develop a sensitive and selective method for NFA based on stripping SW voltammetry. The metabolite of NFA, 1‐aminohydantoin (AHD), did not exhibit cathodic response in the potential range between ?0.9 and +0.1 V. However, AHD gave a SW oxidation signal at activated CFMEs, with a potential of +0.95 V, which did not appear at non‐activated microelectrodes. Based on this finding, the simultaneous determination of NFA and AHD was performed by amperometry using two activated CFMEs in a parallel configuration connected to a multichannel detector. This methodology was also used to carry out degradation studies of NFA in acidic and basic media under photodegradation or thermal degradation conditions.     

Synthesis and Characterization of Dual Acidic Ionic Liquids

Novel ionic liquids with dual acidity, of which the cation contains Brφnsted acidity and anions contain Lewis acidity were synthesized. These ionic liquids obtained were identified by NMR, FF-IR, SDT and FAB-MS. Their acidities were determined by pyridine probe on IR spectrography.     

Synthesis, biological activity and modelling studies of two novel anti HIV PR inhibitors with a thiophene containing hydroxyethylamino core

An efficient method has been developed for the synthesis of a versatile intermediate bearing azido, hydroxyl and ester functions, a useful precursor for peptidomimetic compounds. The two main features for this synthesis were the use of the Sharpless asymmetric dihydroxylation on thiophene acrylate and the subsequent regioselective ring opening by sodium azide of the cyclic sulfite. Highly chemoselective reduction of the azido alcohol led to a key compound which was utilized for the synthesis of two analogues of commercial anti HIV PR such as nelfinavir and saquinavir. The biological activity and molecular modelling study on these two new potential drugs have been evaluated.     

New silver(i) thiazole-based coordination polymers: structural and photophysical investigation

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PET导电纤维的制取及研究

以过氧化二苯甲酰为引发剂,使丙烯睛在涤沦(PET)纤维上接枝共聚。接枝纤维在含铜化合物,含硫还原剂溶液中反应,制备PET导电纤维。讨论了影响接枝共聚的各种因素,选择出最佳聚合条件。对该纤维的导电成份和结构以及性能进行了研究。     

The crystallinity of polyaryl ether ether ketone

Measurement of the degree of crystallinity of the polymer matrix in a composite is complicated by the presence of the reinforcing additive. This is particularly the case in APC-2 in which as much as 70% can be carbon fibre. A First Law procedure, developed for determining the degree of crystallinity of PEEK, which involves direct measurement of the enthalpy changes associated with melting, crystallization and heat capacity changes, has found to be an effective method for the determination of the crystallinity of the PEEK matrix. The procedure has been applied to carbon fibre and glass fibre PEEK composites.     

An approximate frozen core approach to valence only molecular calculations

A simple valence electron-only theory based on an approximate frozen core approach and an exact core-valence strong orthogonality condition is developed for atomic and molecular systems. A unique reduced basis is introduced in which both core and valence orbitals are expanded. The core representation is roughly approximated, and the valence orbital overlap with the corresponding all-electron reference functions is nearly exact. The size of the reduced basis in terms of primitive functions is practically the same as that adopted by effective core potential methods in which the valence orbitals have the correct nodal properties. Results obtained with the present approach are presented for LiO, BeO and CaO molecules, and compared with the corresponding all-electron frozen core calculations. In addition, a detailed investigation on Li _n Be clusters (n=1,..., 6) is carried out.Dedicated to Professor J. Koutecký on the occasion of his 65th birthday     

β-D-核糖（ RI）与一价、二价金属离子相互作用的理论研究

在HF和MP2水平用全电子(AE)和相对论有效芯势(RECP)方法研究了Ⅰa、Ⅰb、Ⅱa和Ⅱb族金属离子与β D 核糖(RI)的相互作用. 结果表明, RECP能可靠地用于重金属离子;二价金属离子(M2＋)比一价金属离子(M＋)更易使β D 核糖(RI)变形;二价金属离子络合物(RI M2＋)比一价金属离子络合物(RI M＋)稳定. 电荷布居分析的结果支持上述结论.     

近5年化学奥林匹克(初赛)试题的分析及建议

从化学核心素养出发，分析近5年化学奥林匹克（初赛）试题考查的学生知识水平、能力水平、素养水平，并针对培养中学生核心素养的教学实践提出建议。