Al纳米颗粒增强微晶硅薄膜太阳电池光吸收的模拟研究

利用价格低廉、性能优良的金属纳米颗粒增强太阳电池的光吸收具有广阔的应用前景. 通过建立三维数值模型, 模拟了微晶硅薄膜电池前表面周期性分布的Al纳米颗粒阵列对电池光吸收的影响, 并对其结构参数进行了优化. 模拟结果表明: 对于球状Al纳米颗粒阵列, 影响电池光吸收的关键参数是周期P与半径R的比值, 或者说是颗粒的表面覆盖度; 当P/R=4–5时, 总的光吸收较参考电池提高可达20%. 与球状颗粒相比, 优化后的半球状Al纳米颗粒阵列可获得更好的陷光效果, 但后者对颗粒半径R的变化较敏感. 另外, 结合电场分布, 对电池光吸收增强的物理机理进行了分析.     

氘化对KH2PO4晶体微观缺陷影响的正电子湮没研究

采用传统降温法从不同程度氘化(x=0, 0.51, 0.85)的生长溶液中生长氘化KH₂PO₄(KDP) 晶体, 利用正电子湮没技术(正电子寿命谱和多普勒展宽谱)、结合X射线衍射谱(XRD) 结构分析, 对KDP晶体氘化生长的微观缺陷进行了研究, 讨论了氘化程度对晶体内部微观结构特性、缺陷类型和浓度的影响. XRD结果显示晶胞参数a, b值随氘含量的增加而增加, c值无明显变化; 正电子寿命谱结果发现随着氘化浓度的提高, KDP晶体内部中性填隙缺陷以及氧缺陷不断增加, 引起晶体晶格畸变; 氢空位、K空位、杂质替位缺陷不断发生缔合反应形成复合缺陷, 缺陷浓度不断减少; 团簇、微空洞等大尺寸缺陷也在不断发生聚合反应, 缺陷浓度表现为不断减少. 多普勒实验结果表明随着氘化程度的提升, 晶体内部各类缺陷表现为同步变化. 实验结果表明, KDP晶体在低浓度氘化生长(50%以内)下缺陷反应较弱, 而在高浓度氘化(50%以上)下的缺陷反应显著增强.     

非线性动力学方法在气候突变检测中的应用

快速、准确的检测气候突变, 对于我们认识气候系统的变化和对未来气候系统演变趋势的预测有着重要的现实意义和社会经济价值. 本文主要回顾了近年来非线性突变检测技术的主要研究进展及其在实际观测资料中的应用, 其中包括基于气候系统长程相关性的检测方法, 如滑动去趋势波动分析方法、滑动移除去趋势波动分析方法、滑动移除重标极差方法和指纹法等; 以及基于时间序列复杂性的检测方法, 如近似熵方法, Fisher信息和小波Fisher信息等. 此外, 本文还指出发展针对空间场的突变检测技术是未来一个可能的发展方向. 由于空间场所包含的气候系统的演变信息远高于单点时间序列, 空间场的突变检测技术将会使得对气候突变的检测时间大大缩短, 从而使得人们有足够的时间去采取行动, 以便为适应气候突变所带来的新挑战做好准备.     

NH4H2PO4和ND4D2PO4晶体微结构的拉曼光谱研究

本文利用偏振拉曼光谱和第一性原理, 对磷酸二氢铵(NH₄H₂PO₄, ADP)和不同氘含量磷酸二氢铵DADP晶体的晶格振动模式进行了研究. 实验测得了不同几何配置、200–4000 cm^-1范围的偏振拉曼光谱, 分析在不同氘含量条件下921 cm^-1和3000 cm^-1附近拉曼峰的变化. 在ADP晶体中, 基于基本结构单元NH₄⁺ 和H₂PO₄^-基团的振动模, 用第一性原理进行了数值模拟, 进一步明确拉曼峰与晶体中原子振动的对应关系; 通过洛伦兹拟合不同氘含量DADP晶体的拉曼光谱中2000–2600 cm^-1处各峰的变化讨论了DADP 晶体的氘化过程, 结果表明氘化顺序是先NH₄⁺ 基团后H₂PO₄^-基团, 研究结果为今后此类材料的生长和性能优化奠定了基础.     

Incorporating high-pressure electroosmotic pump and a nano-flow gradient generator into a miniaturized liquid chromatographic system for peptide analysis

We integrate a high-pressure electroosmotic pump (EOP), a nanoflow gradient generator, and a capillary column into a miniaturized liquid chromatographic system that can be directly coupled with a mass spectrometer for proteomic analysis. We have recently developed a low-cost high-pressure EOP capable of generating pressure of tens of thousands psi, ideal for uses in miniaturized HPLC. The pump worked smoothly when it was used for isocratic elutions. When it was used for gradient elutions, generating reproducible gradient profiles was challenging; because the pump rate fluctuated when the pump was used to pump high-content organic solvents. This presents an issue for separating proteins/peptides since high-content organic solvents are often utilized. In this work, we solve this problem by incorporating our high-pressure EOP with a nano-flow gradient generator so that the EOP needs only to pump an aqueous solution. With this combination, we develop a capillary-based nano-HPLC system capable of performing nano-flow gradient elution; the pump rate is stable, and the gradient profiles are reproducible and can be conveniently tuned. To demonstrate its utility, we couple it with either a UV absorbance detector or a mass spectrometer for peptide separations.     

Voltammetric Behavior of Semicarbazide at Graphene Modified Electrode and Application to Detection

Herein voltammetric behaviors of semicarbazide (SEM) are investigated by employing a graphene modified working electrode, which displays attractive electroanalytical properties. In the acetate buffer solution of pH 4.00, there is a well‐defined oxidative peak of SEM, attributing to the irreversible and adsorption‐controlled electrode reaction with 2 electrons participation. The values of apparent heterogeneous electron transfer rate constant k′_s with the redox are 0.0061 s^?1 and 0.0009 s^?1, respectively, for two scan rate section. After the experimental parameters, which influence the voltammetric responses of SEM, including supporting electrolyte, pH, accumulation time and accumulation potential, etc., are optimized, it is found that the anodic peak current of SEM is proportional to its concentration in the range of 4 ‐ 40 μmol/L with a detection limit of 1 μmol/L (S/N = 3). Then, an electrochemical method for detecting SEM quantitatively is developed successfully. The concentrations of SEM in fortified tap water samples are tested with satisfactory recovery, indicating that the novel method is strongly promising in the environmental monitoring application.     

Semi-Preparative Scale Separation of Emodin from Plant Extract by Using Molecularly Imprinted Polymer as Stationary Phase

In this work, a core–shell molecularly imprinted polymer (MIP) was synthesized through sol–gel coating procedure by using silica beads, emodin, 3-aminopropyltriethoxysilane, tetraethoxysilane and tetrahydrofuran as supporting matrix, template, functional monomer, cross-linker and solvent, respectively. The selective recognition property for emodin and its analogues (physcion and aloe emodin) of the resultant MIP was evaluated in a chromatographic column for high-performance liquid chromatography (HPLC). The retention time and imprinted factor of MIP column for emodin, physcion and aloe emodin were 5.11, 0.63, 0.69 min and 4.69, 0.75, 1.38, respectively. It showed that the MIP beads had a good binding ability for emodin. Finally, one-step separation of emodin from alcohol extract of Rheum palmatum L. at semi-preparative scale was achieved and 380 mg of emodin was collected in 5 days. The product was characterized by mass spectrometry and HPLC and its purity was 95 %.     

A New Cyclic Peptide and a New Steroid from the Fungus Penicillium sp. GD6 Isolated from the Mangrove Bruguiera gymnorrhiza

A rare new cyclic tetrapeptide, 5,5′‐epoxy‐MKN‐349A ( 1 ), featured by a MKN‐349A ( 5 ) skeleton and containing an uncommon ether bridge between C(5) and C(5′), and a new steroid, named 11‐O‐acetyl‐NGA0187 ( 2 ), together with two known steroids, 3 and 4 , were isolated from an endophytic fungus Penicillium sp. GD6 associated with the Chinese mangrove Bruguiera gymnorrhiza. The structures of the new compounds were elucidated on the basis of extensive spectroscopic analyses and by comparison with the data of related compounds reported in literature. Neither of the compounds 3 and 4 , isolated in this study, showed obvious bioactivities in the antibacterial bioassay experiments.     

Synthesis and Biological Activities of 3‐Substituted Analogues of Tenuazonic Acid

A series of tenuazonic acid analogues in which the acetyl group was replaced with electron‐withdrawing substituents have been synthesized with the aim of obtaining molecules with various bioactivities. Substituents such as cyano, sulfonyl, and amido were introduced at the 3‐position of the pyrrolidine‐2,4‐dione nucleus of tenuazonic acid. 3‐Cyano and sulfonyl pyrrolidine‐2,4‐dione compounds ( 2 and 6 ) were prepared via a Dieckmann cyclization as key step. 3‐Amido pyrrolidine‐2,4‐dione compounds ( 9 ) were prepared by a microwave‐assisted amidation reaction from corresponding 3‐carboxylate derivative. The target compounds were evaluated; their herbicidal, fungicidal, and insecticidal activities, and the preliminary bioassay data showed that some 3‐cyanopyrrolidine‐2,4‐diones 2 gave good insecticidal activity, whereas some 3‐amido compounds 9 exhibited moderate to strong fungicidal activity against Pythium dissimile at 20 mg/L.     

Trans-membrane electron transfer in red blood cells immobilized in a chitosan film on a glassy carbon electrode

We have studied the trans-membrane electron transfer in human red blood cells (RBCs) immobilized in a chitosan film on a glassy carbon electrode (GCE). Electron transfer results from the presence of hemoglobin (Hb) in the RBCs. The electron transfer rate (k _s) of Hb in RBCs is 0.42 s^?1, and <1.13 s^?1 for Hb directly immobilized in the chitosan film. Only Hb molecules in RBCs that are closest to the plasma membrane and the surface of the electrode can undergo electron transfer to the electrode. The immobilized RBCs displayed sensitive electrocatalytic response to oxygen and hydrogen peroxide. It is believed that this cellular biosensor is of potential significance in studies on the physiological status of RBCs based on observing their electron transfer on the modified electrode.