Li-S电池硫正极性能衰减机理分析及研究现状概述

由于汽车工业的持续发展, 对高能量密度二次电池的需求逐步增加, 锂硫电池开始走进人们的视野. 锂硫电池的理论比能量高达2600 Wh/kg, 而单质硫的理论比容量达1680 mAh/g. 同时, 硫的储量丰富, 廉价, 并且环境友好. 虽然可充电锂硫电池相比于传统锂离子电池有诸多优势, 但目前其可实现的实际比容量远低于理论比容量, 循环寿命也较短等弊端限制了其大规模应用. 作者从Li-S电池正极的工作原理出发, 对硫正极容量损失及衰减机理做了深刻的解析, 并结合本实验室的工作归纳总结了导致硫正极容量衰减的主要因素. 针对硫正极容量衰减因素, 从碳导电结构、聚合物包覆以及纳米金属氧化物添加剂等方面, 对近年来提高硫正极性能的主要研究方向及最新研究进展进行了综述, 并对其中存在的问题进行分析, 最后对提高Li-S电池的整体性能提出展望.     

3-正则图的分割问题是NP-完全问题

证明了3-正则图的最小平分问题和最小α-分割问题都是NP-完全问题.     

The adsorption and dissociation of O2 on Cu low-index surfaces

The extended LEPS of O(2)-Cu single crystal plane systems is constructed by means of 5-MP (the 5-parameter Morse potential). Both the adsorption and dissociation of O(2) on Cu low-index surfaces are investigated with extended LEPS in detail. All critical characteristics of the system that we obtain, such as adsorption geometry, binding energy, eigenvalues for vibration, etc., are in good agreement with the experimental results. Our calculated results suggest there are many differences between O(2)-Cu (110) and O(2)-Pd (110) systems. On a Cu (110) surface, O(2) adsorbs in a tilted configuration and there are two lowest energy dissociation channels along the [001] and [10] directions, respectively. We speculate that the adsorption geometry of O(2) on the metal surfaces relates to the lattice constant of metal. Meanwhile, We use the concepts of the molecular dissociation limit and the surface dissociation distance to analyze again the dissociation mechanism of the O(2) on the low-index surfaces.     

氧原子在Pt低指数面上的吸附和振动

应用原子和表面簇合物相互作用的5参数Morse势方法（简称5-MP）对O-Pt低指数表面体系进行了研究,并获得了全部临界点特性.计算结果表明,氧原子在Pt(100)面上只存在四重吸附态.在缺行重构的(110)面上,氧原子仍吸附于三重位,随着覆盖度的增加还会嵌切吸附于长桥位;通过分析三重态振动指纹性质的遗传和遗变,确认实验观察到的59.49和40.90 meV损失谱分别为氧原子在三重位和长桥位吸附态的表面垂直振动.     

The co-transfection of p16(INK4a) and p14(ARF) genes into human lung cancer cell line A549 and the effects on cell growth and chemosensitivity

Two functionally and structurally different proteins, p16(INK4a) and p14(ARF), encoded by the gene INK4a/ARF located at 9p21 are cyclin-dependent kinase (cdk) inhibitors and important cell cycle regulators. More and more evidences have been accumulated to show that the exogenous p16(INK4a) or p14(ARF) can inhibit the cell growth and/or induce the apoptosis. But it is still unclear if they can play positive role when combine with the conventional chemotherapy in cancer treatment. Here we show that cationic liposome-mediated gene transfection of INK4a/ARF into lung cancer cell line A549, in which the INK4a/ARF locus was lost, suppressed the growth and induced apoptosis. When treated with five different chemotherapy drugs with different mechanism after the transfection, A549 got an increased chemosensitivity for adriamycin and cisplatin and an unchanged result for topotecan, taxol or vinorelbine. The results indicated that cell cycle redistribution and increased apoptosis index after transfection might be the main explanation for the enhanced chemosensitivity. The combination of gene therapy with conventional chemotherapy is not always better than single chemotherapy. This trial will be of benefit to the treatment of lung cancer when combine the conventional chemotherapy and gene therapy in the future.     

Monitoring canopy nitrogen status in winter wheat of growth anaphase with hyperspectral remote sensing

Biomass, leaf area index (LAI) and nitrogen status are important parameters for indicating crop growth potential and photosynthetic productivity in wheat. Nondestructive, quick assessment of leaf dry weight, LAI and nitrogen content is necessary for nitrogen nutrition diagnosis and cultural regulation in wheat production. In order to establish the monitoring model of nitrogen richness in winter wheat of growth anaphase, studying the relationship between the nitrogen richness (NR) containing nitrogen density, LAI and leaf dry weight and the difference of hyperspectral reflectance rates (deltaR), we conducted a comparable experiment with five winter wheat varieties under nitrogen application level of 0, 100, 200 and 400 kg x N x ha(-1). The results indicated the NRs of the different varieties of winter wheat leaves increased with increasing growth stage while in the different nitrogen levels it was sequenced as: NO>N3>N1>N2. Twelve vegetation indices were compared with corresponding NR. The NR had significantly negative correlation to TCARI and VD672 in those vegetation indices, and their correlations (r) arrived at 0.870 and 0.855, respectively. The coefficients of determination (R2) of two models were 0.757 and 0.731 by erecting model with the two indexes and NR Root mean square error (RMSE), relative error (RE) and determination coefficient between measured and estimated NR were employed to test the model reliability and predicting accuracy. Accuracy rates of the models based on TCARI and VD672 achieved 84.56% and 80.13%. The overall results suggested that leaf nitrogen status of growth anaphase in winter wheat has stable relationships with some vegetation indexes, especially index of TCARI and VD672.     

A condition analysis of the weighted linear least squares problem using dual norms

In this paper, based on the theory of adjoint operators and dual norms, we define condition numbers for a linear solution function of the weighted linear least squares problem. The explicit expressions of the normwise and componentwise condition numbers derived in this paper can be computed at low cost when the dimension of the linear function is low due to dual operator theory. Moreover, we use the augmented system to perform a componentwise perturbation analysis of the solution and residual of the weighted linear least squares problems. We also propose two efficient condition number estimators. Our numerical experiments demonstrate that our condition numbers give accurate perturbation bounds and can reveal the conditioning of individual components of the solution. Our condition number estimators are accurate as well as efficient.     

Synthesis of lactate derivatives via reductive radical addition to α-oxyacrylates

Lactate derivatives are important synthetic precursors to a variety of pharmaceutical products. Previously reported methods to prepare lactates require multiple steps or have limited scopes. Herein, we report a Ni-catalyzed reductive addition of a variety of alkyl iodides to α-oxyacrylates to afford substituted lactates. Exploring the scope of radical acceptors reveals that electron-deficient alkenes, ranging from cyclohexenone to para-caboxystyrene, undergo efficient coupling with alkyl iodides. This method represents an alternative strategy access lactate derivatives.     

纤锌矿CdxZn1-xO电子结构的第一性原理研究

采用第一性原理的平面波超软赝势方法,计算了纤锌矿ZnO及不同量Cd掺杂ZnO的电子结构.计算结果表明,Cd的掺杂导致ZnO晶体的禁带宽度变窄.主要原因在于Cd的掺入导致Zn4s轨道中能级越来越低的电子参与作用,使得决定导带底的反键Zn 4s态能级逐渐降低,同时由pd反键轨道控制的价带顶能级逐渐升高. 关键词： 密度泛函理论 超软赝势方法 Cd掺杂ZnO     

Isolation, structure determination, and synthesis of galaxamide, a rare cytotoxic cyclic pentapeptide from a marine algae Galaxaura filamentosa

Galaxamide (1), a rare cyclic pentapeptide, was isolated from the marine algae Galaxaura filamentosa. A preliminary bioassay of Galaxamide showed remarkable in vitro antiproliferative activities against GRC-1 and HepG2 cell lines. The first total synthesis of the cyclic peptide was achieved for further biological evaluation.