First principle calculation of lithiation/delithiation voltage in Li-ion battery materials

A first principle method, based on the density functional theory, was used to investigate the average voltage of lithiation/delithiation for Li-ion battery materials across 7 categories and 18 series, including LiMO 2 , LiMn 2 O 4 , LiMPO 4 , Li 2 MSiO 4 and graphite. The average voltage of lithiation/delithiation in the relevant electrode materials was obtained by comparing the total-energy difference, before and after an electrochemical reaction. The calculated values were in good agreement with experimental data. The systematic difference between the simulated and experimental values could be explained in terms of the binding energy on the surface of the lithium electrode. This type of calculation method could be applied as an easy and effective tool for predicting the potential performance of new lithiation/delithiation materials.     

Towards a transgenic model of Huntington's disease in a non-human primate

Non-human primates are valuable for modelling human disorders and for developing therapeutic strategies; however, little work has been reported in establishing transgenic non-human primate models of human diseases. Huntington's disease (HD) is an autosomal dominant neurodegenerative disorder characterized by motor impairment, cognitive deterioration and psychiatric disturbances followed by death within 10-15 years of the onset of the symptoms. HD is caused by the expansion of cytosine-adenine-guanine (CAG, translated into glutamine) trinucleotide repeats in the first exon of the human huntingtin (HTT) gene. Mutant HTT with expanded polyglutamine (polyQ) is widely expressed in the brain and peripheral tissues, but causes selective neurodegeneration that is most prominent in the striatum and cortex of the brain. Although rodent models of HD have been developed, these models do not satisfactorily parallel the brain changes and behavioural features observed in HD patients. Because of the close physiological, neurological and genetic similarities between humans and higher primates, monkeys can serve as very useful models for understanding human physiology and diseases. Here we report our progress in developing a transgenic model of HD in a rhesus macaque that expresses polyglutamine-expanded HTT. Hallmark features of HD, including nuclear inclusions and neuropil aggregates, were observed in the brains of the HD transgenic monkeys. Additionally, the transgenic monkeys showed important clinical features of HD, including dystonia and chorea. A transgenic HD monkey model may open the way to understanding the underlying biology of HD better, and to the development of potential therapies. Moreover, our data suggest that it will be feasible to generate valuable non-human primate models of HD and possibly other human genetic diseases.     

Distribution of α-MSH -like immunoreactive cells in the nervous system, Hatschek’s pit and other tissues of amphioxus, Branchiostoma belcheri

Immunohistochemical localization of α-melanocyte-stimulating hormone (α-MSH) in the nervous system, Hatschek’s pit and other tissues of amphioxus (Branchiostoma belcheri) was performed using the antibody against synthetic α-MSH. The results revealed that α-MSH-like immunoreactive cells were distributed at the dorsal side and ventral side of the brain vesicle, the dorsal side and the surrounding of central tube in the nerve tube, the epithelial cells of Hatschek’s pit, and zones 1, 3 and 6 in endostyle and hindgut. The immunoreactive substance was also found in the primary oocytes of the small and large growth stage of ovary and early stage spermatogenic cells in testis. These findings indicate that α-MSH is an ancient and highly conserved hormone and it is extensively distributed in amphioxus. Although Hatschek’s pit in amphioxus do not have a structure of the intermediate lobe of vertebrate adenohypophysis, it has already hosted α-MSH-like endocrine cells, implying that the functional differentiation of α-MSH-like cells occurred earlier than the differentiation of the tissue structure. The results of present study provided new evidence for the endocrinology of Hatschek’s pit and the origin and evolution of vertebrate adenphypophysis.     

Corrosion mechanism of micro-arc oxidation treated biocompatible AZ31 magnesium alloy in simulated body fluid

The rapid degradation of magnesium(Mg) based alloys has prevented their further use in orthopedic trauma fixation and vascular intervention,and therefore it is essential to investigate the corrosion mechanism for improving the corrosion resistance of these alloys. In this work, the effect of applied voltage on the surface morphology and the corrosion behavior of micro-arc oxidation(MAO) with different voltages were carried out to obtain biocompatible ceramic coatings on AZ31 Mg alloy. The effects of applied voltage on the surface morphology and the corrosion behavior of MAO samples in the simulated body fluid(SBF) were studied systematically. Scanning electron microscope(SEM) and X-ray diffractometer(XRD)were employed to characterize the morphologies and phase compositions of coating before and after corrosion. The results showed that corrosion resistance of the MAO coating obtained at 250 V was better than the others in SBF. The dense layer of MAO coating and the corrosion precipitation were the key factors for corrosion behavior. The corrosion of precipitation Mg(OH)2and the calcium phosphate(Ca–P) minerals on the surface of MAO coatings could enhance their corrosion resistance effectively. In addition, the mechanism of MAO coated Mg alloys was proposed.     

4-Formyl-2-（2H-benzotriazol-2-yl）-phenol： an ESIPT chromophore

In the present work, excited state intramolecular proton transfer （ESIPT） emission properties of a new benzotriazole derivative 4-formyl-2-（2H-benzotriazol-2-yl）- phenol （C1） were studied. 4-Formyl-2-（2H-benzotriazol-2- yl）-methoxy-benzene （C2）, 4-formyl-2-（2H-benzotriazol-2- yl）-phenyl acetate （C3） and 4-methyl-2-（2H-benzotriazol- 2-yl）-phenol （C4） were used as the reference molecules. ^1H NMR chemical shift of hydroxy group in C1 was located at more down field than that of C4 or p-hydroxy-benzaldehyde （C5）, respectively. C1 showed two absorption bands in the range of 260-400 nm zones in various solvents, while C2 and C3 exhibited single absorption band. The equal molar mixtures of C2/C5 or C3/C5 showed single absorption band. C2 and C3 displayed single fluorescence emission band in various solvents, while C1 exhibited dual emission bands in some strong polar solvents. Furthermore, the second emission band in these strong polar solvents showed the large Stokes shift. The results show that the second emission band of C1 was produced by ESIPT. C2 and C3 could not undergo ESIPT due to no hydroxy group. The geometry optimization calculation of enol and keto forms in the ground and excited states of C1 provided tough theoretical evidences of ESIPT.     

Assessment of urinary concentration of cotinine in Chinese pregnant women exposed to environmental tobacco smoke

Environmental tobacco smoke （ETS） is a well- known reason of many adverse health consequences in pregnant women. Exposure of ETS during pregnancy may increase the risk of some fetal diseases in pregnant women and/or birth defects in neonates. Many countries have implemented laws to control smoking and free of second hand smoke in all enclosed workplaces. In China, anti- smoking law was enforced in March 2010. We aimed to assess the exposure of pregnant women to cotinine after anti-smoking law was implemented in China. The urine samples were collected from 2,100 volunteers from Zhejiang Province, China and urinary concentration of cotinine was measured using gas chromatography and mass spectrometry. Cotinine was detected in 87 % of the pregnant women. The GM and 95th percentile concentration in pregnant women were 4.28 and 44.00 μg/L, respectively. Similarly, the GM and 95th concentration of cotinine were significantly higher in smoking group than in non-smoking group （P 〈 0.0001）. Our results indicate that pregnant women in China are at the high risk of exposure ETS. Further attempts are required to make strategies to find out the sources of ETS exposure and prevent smoking at public places especially during pregnancy.     

Functionalization of diatomite with glycine and amino silane for formaldehyde removal

Two amino-functionalized diatomite(DE)composites modified by 3-aminopropyltriethoxysilane(APTS)or glycine(GLY)(i.e.,APTS/DE and GLY/DE)were successfully synthesized via the wet chemical method for the time-and cost-efficient removal of indoor formaldehyde(HCHO).First,the optimal preparation conditions of the two composites were determined,and then their microstructures and morphologies were characterized and analyzed.Batch HCHO adsorption experiments with the two types of amino-modified DE composites were also conducted to compare their adsorption properties.Experimental results indicated that the pseudo-second-order kinetic and Langmuir isotherm models could well describe the adsorption process,and the maximum adsorption capacities of APTS/DE and GLY/DE prepared under optimal conditions at 20°C were 5.83 and 1.14 mg·g^-1,respectively.The thermodynamic parameters of the composites indicated that the adsorption process was spontaneous and exothermic.The abundant amine groups grafted on the surface of DE were derived from the Schiff base reaction and were essential for the high-efficient adsorption performance toward HCHO.     

输入时延下约束不确定系统的有限时间控制

针对一类具有非对称时变输出约束和输入时延的不确定非线性系统， 提出有限时间反步控制策略. 首先， 设计新型非线性变换函数将约束系统转化为无约束系统， 解决非对称时变输出约束问题； 其次， 为了处理反步控制的“计算爆炸”问题， 构造新型的有限时间滤波器， 且通过误差补偿机制消除滤波误差， 采用Pade近似法和中间变量补偿输入时延对控制系统的影响；再次， 根据Lyapunov理论证明闭环系统的实际有限时间稳定性， 且输出不会违反约束； 最后， 通过滤波器的对比仿真和机械臂系统的仿真验证新型滤波器和有限时间控制策略的有效性.