高效液相色谱法手性分离二茂铁衍生物

建立了4个单手性和3个双手性(含有手性中心和面手性)的二茂铁衍生物在Chiralpak IC(纤维素-三(3,5-二氯苯基氨基甲酸酯))和Chiralpak IE3(直链淀粉-三(3,5-二氯苯基氨基甲酸酯))手性固定相上的高效液相色谱分离方法。4个单手性二茂铁衍生物中有3个可以在Chiralpak IE3固定相上实现基线分离,另外1个则在Chiralpak IC手性固定相上实现基线分离。3个双手性二茂铁衍生物可在Chiralpak IC手性固定相上实现基线分离。研究表明,这两种手性固定相对二茂铁衍生物具有较好的手性识别作用,并且具有互补作用。这一研究结果可为手性二茂铁化合物的分离提供借鉴和参考。     

A combination of experiment and molecular simulation studies on a new metal-organic framework showing pH-triggered drug release

A new Co(II)-based complex { [Co₂(L)(4,4'-Bipy)₂] · CH₃CN} _n (I) (H4L = 5,5'-(biphenyl-4,4'- diyl-bis(methylene))bis(oxy)diisophthalic acid, 4,4'-Bipy = 4,4'-bipyridine) has been synthesized and structurally characterized. Single-crystal X-ray analysis (CIF file CCDC no. 1406388) reveals that compound I has 3D pcu topology. The incorporation of the drug 5-fluorouracil (5-FU) into the desolvated I was around 15.0 wt % of dehydrated I. Complex I also shows a pH-triggered controlled drug release property. In addition, we used semiempirical AM1 method to investigate the adsorption of 5-FU to I at the molecular level.     

时域混合算法在一维海面与舰船目标复合电磁散射中的应用

采用时域积分方程(TDIE)与时域基尔霍夫近似(TDKA)的混合算法研究粗糙海面与舰船目标的复合瞬态电磁散射.该方法将舰船目标及其近邻海面划分为TDIE区域,用TDIE方法精确求解;将剩余电大尺寸的粗糙海面划分为TDKA区域,采用高效的TDKA电流近似求解.通过混合算法和传统TDIE算法结果的对比,表明TDIE-TDKA混合算法能保证计算的精度,同时具有较高的计算效率.最后,讨论了海面上方有无目标、海面上方风速、电磁脉冲入射角、舰船目标尺寸、吃水深度对后向散射磁场的影响.     

制备参数对碱式碳酸铜形成过程的影响

采用IR、XRD、SEM、摄相等技术详细研究了以碳酸钠和硫酸铜为反应原料,2者的物质的量之比、反应温度、溶液pH、原料滴加顺序和滴加速度等参数对碱式碳酸铜(Cu2(OH)2CO3)形成过程的影响。结果表明,当 Na2CO3与CuSO4的物质的量之比为1.2~1.4、温度328~353 K、以CuSO4滴入Na2CO3溶液(正滴,滴速2.0 mL/min)时可以得到浅绿色Cu2(OH)2CO3,反应体系的最终pH为8.90~9.15。反应过程中溶液pH的控制、原料滴加顺序及滴加速度对生成产品物相有重要的影响。当溶液pH控制为7时可以得到Cu2(OH)2CO3。当溶液控制pH为8~9时得不到Cu2(OH)2CO3。在与正滴顺序相反的情况下,即将Na2CO3滴入CuSO4溶液、滴速为2.0 mL/min得不到Cu2(OH)2CO3,但当Na2CO3滴加速度降为0.5 mL/min可得到纯相Cu2(OH)2CO3。     

Magnetism and Photocatalytic Degradation of Organic Dyes Based on a New Metal Formate Framework

A new MOF of [Co(HCOO)₂] · 0.33DMF (I) was prepared and characterized by IR, powder X-ray diffraction, and single-crystal X-ray diffraction (CIF file CCDC no. 1571166). Complex I exhibits a diamond framework based on Co-centered CoCo₄ tetrahedral nodes, in which all metal ions have octahedral coordination geometry and all HCOO groups link the metal ions in syn-syn/anti modes. The magnetic property shows a main antiferromagnetic interaction and the ferromagnetic phase transition below 2 K. Furthermore, the photocatalytic properties of I for degradation of the methyl violet and Rhodamine B have been explored.     

Ca[B8O11(OH)4] : Eu2+ – A Highly Efficient Deep Blue-Emitting Phosphor Prepared by Low-Temperature Self-reduction

Highly efficient inorganic phosphors are crucial for solid-state lighting. In this paper, a new method of low-temperature self-reduction was used for preparing a highly efficient deep blue-emitting phosphor of Ca[B₈O₁₁(OH)₄] : Eu²⁺ (CBH : Eu²⁺). The crystal structure, morphology, chemical state, and photoluminescence (PL) properties of the CBH : Eu²⁺ phosphor have been investigated. By using the screened hybrid function (HSE06), the band gap (E_g) of CBH was calculated to be 7.48 eV, which is a necessary condition for achieving high quantum yield phosphors. The experiment results show that almost all the added raw materials of Eu³⁺ can be reduced to Eu²⁺ in CBH crystal under a non-reducing atmosphere. The CBH : Eu²⁺ phosphor shows a broad excitation spectrum centered at 277 and 327 nm in the range of 220 to 400 nm, and a narrow-band emission spectrum centered at 428 nm in the range of 400 to 500 nm, with a full width at half maximum (fwhm) of 42.35 nm. Under UV radiation, the CBH : 2 %Eu²⁺ exhibits high photoluminescence quantum yield (PLQY=95.0 %), high external quantum efficiency (EQE=31.1 %), and ultra-high color purity (97.6 %). The PL intensity of CBH : 2 %Eu²⁺ remains 62.6 % of the initial intensity at 150 °C. Finally, the white light-emitting diodes (WLED) fabricated by CBH : 2 %Eu²⁺, excited by a 365 nm chip, presents outstanding performances with a luminous efficacy (LE) of 13.9 lm/W, a color rendering index (CRI) of 89.4, and a correlated color temperature (CCT) of 5825 K. The above results show that CBH : Eu²⁺ can be used as a promising blue phosphor for WLED. This new method of low-temperature self-reduction can be applied to design and prepare other new types of highly efficient phosphors.     

雨介质中球形目标的GHz复合散射特性

将背景空间及其中存在的离散粒子作为一种连续的电介质,得出了背景空间中离散粒子存在时混合体的等效介电常量模型.利用该模型和国际电讯联盟给出的雨衰减测量数据,确定了GHz波段雨介质的等效介电常量并验证了其有效性.得出了雨环境中目标复合散射场的解析式,对雨环境中球形目标的复合微分散射进行了仿真与分析,进而研究了降雨率、电磁波频率及极化状态等因素对复合微分散射的影响.计算表明:降雨对微分散射的影响在10^-3分贝上,电磁波垂直极化时降雨的影响大于其水平极化时的影响.研究结果对精确制导和目标识别等有一定的参考意义.     

Synthesis,Structures, and Fluorescence Property of a Novel Heterometallic Complex Constructed by Imidazole

A novel heterometallic complex constructed by imidazole ligand, CoZn(C_3N_2H_3)_4(1), has been synthesized under hydrothermal conditions. Compound 1 was characterized by IR spectra, thermal analysis, powder X-ray diffraction and single-crystal X-ray diffraction. Single-crystal X-ray diffraction studies reveals that compound 1 is in the tetragonal system, space group I4_1cd with a = 23.4371(5), b = 23.4371(5), c = 12.4430(7) ?, V = 6834.9(4) ?~3, Z = 16, C_(12)H_(12)CoN_8Zn, M_r = 392.60, D_c = 1.526 g/cm~3, F(000) = 3152, μ = 2.381 mm~(–1), R = 0.0323 and w R = 0.0789. The CoZn(C_3N_2H_3)_4 is one-dimensional heterometallic molecular chains, which are further extended into a 3D open framework. Moreover, the solid-state fluorescence property of the complex has also been investigated at room temperature.