Efficient synthesis and spectral determination of 11‐[(o‐ m‐ and p‐substituted)‐phenyl]‐8‐chloro‐3,3‐dimethyl‐2,3,4,5,10,11‐hexahydro‐1H‐dibenzo[b,e][1,4]diazepin‐1‐ones

A new synthesis to obtain eleven novel derivatives of 11‐[(o‐ m‐ and p‐substituted)‐phenyl]‐8‐chloro‐3,3‐dimethyl‐2,3,4,5,10,11‐hexahydro‐1H‐dibenzo[b,e][1,4]diazepin‐1‐ones with possible pharmacological activity in the central nervous system in two efficient steps has been developed. The final products were obtained by condensation and cyclization between 3‐[4‐chloro‐1,2‐phenylenediamine]‐5,5‐dimethyl‐2‐cyclohexenone with (o‐ m‐ and p‐substituted)benzaldehyde. The structure of all products was corroborated by ir, ¹H‐nmr, ¹³C‐nmr and high resolution in ms.     

Syntheses and Crystal Structures of Two Metal Succinates Modified by Bipyridines

Two new metal succinates modified by rigid bipyridines, Cd(4, 4′‐bpy)(C₄H₄O₄)·1/4H₂O ( 1 ) and Cu(2, 2′‐bpy)(C₄H₄O₄)_0.5(NO₃)(H₂O) ( 2 ) (bpy = bipyridine), have been synthesized by hydrothermal reactions and structurally determined. Complex 1 crystallizes in the orthorhombic space group Cmca with the cell parameters a = 11.696(2), b = 15.554(2), c = 15.874(3) Å, α = β = γ = 90.00°, V = 2888(3) ų, Z = 8. Complex 2 crystallizes in the triclinic space group with a = 7.077(1), b = 9.838(2), c = 10.461(2) Å, α = 71.941(3)°, β = 73.078(3)°, γ = 74.502(3)°, V = 649.8(2) ų, Z = 2. In complex 1 , a 2‐D network was formed by Cd‐succinato bonding. The 2‐D networks are pillared by 4, 4′‐bpy ligands, forming a 3‐D grid framework. The 2‐fold interpenetration of the resulting 3‐D frameworks completes the molecular structure. In complex 2 , the Cu^II atom adopts a distorted octahedral in which the Cu^II atoms are bridged by two H₂O molecules into an infinite zigzag chain, [Cu₂(H₂O)₂(C₄H₄O₄)]_n. The neighboring chains are further linked by π‐π stacking interactions into a 2‐D network, and the interlayer hydrogen bonds lead to the final 3‐D crystal structure.     

New metalloligands [M(SC[O]Ph)(4)](-): synthesis and characterization of polymeric [A(MeCN)(x)[M(SC[O]Ph)(4)]] compounds (A = Li,Na and K; M = Ga and In; x = 0-2)

Exploiting the ability of the [M(SC[O]Ph)(4)](-) anion to behave like an anionic metalloligand, we have synthesized [Li[Ga(SC[O]Ph)(4)]] (1), [Li[In(SC[O]Ph)(4)]] (2), [Na[Ga(SC[O]Ph)(4)]] (3), [Na(MeCN)[In(SC[O]Ph)(4)]] (4), [K[Ga(SC[O]Ph)(4)]] (5), and [K(MeCN)(2)[In(SC[O]Ph)(4)]] (6) by reacting MX(3) and PhC[O]S(-)A(+) (M = Ga(III) and In(III); X = Cl(-) and NO(3)(-); and A = Li(I), Na(I), and K(I)) in the molar ratio 1:4. The structures of 2, 4, and 6 determined by X-ray crystallography indicate that they have a one-dimensional coordination polymeric structure, and structural variations may be attributed to the change in the alkali metal ion from Li(I) to Na(I) to K(I). Crystal data for 2 x 0.5MeCN x 0.25H(2)O: monoclinic space group C2/c, a = 24.5766(8) A, b = 13.2758(5) A, c = 19.9983(8) A, beta = 108.426(1) degrees, Z = 8, and V = 6190.4(4) A(3). Crystal data for 4: monoclinic space group P2(1)/c, a = 10.5774(7) A, b = 21.9723(15) A, c = 14.4196(10) A, beta = 110.121(1) degrees, Z = 4, and V = 3146.7(4) A(3). Crystal data for 6: monoclinic space group P2(1)/c, a = 12.307(3) A, b = 13.672(3) A, c = 20.575(4) A, beta = 92.356(4) degrees, Z = 4, and V = 3458.8(12) A(3). The thermal decomposition of these compounds indicated the formation of the corresponding AMS(2) materials.     

Di­aqua­bis(4,5‐di­hydro‐1,2,4‐triazolo[1,5‐a]­pyrimidin‐5‐one‐N3)bis­(thiocyanato‐N)­nickel(II)

The title compound, [Ni(NCS)₂(C₅H₄N₄O)₂(H₂O)₂], crystallizes in the triclinic space group P. The molecular unit contains two neutral mol­ecules of 4,5‐di­hydro‐1,2,4‐triazolo[1,5‐a]­pyrimidin‐5‐one (5HtpO) coordinated through the N atom in position 3, two thio­cyanate ligands coordinated through their N atoms and two water mol­ecules completing an octahedral environment around the Ni^II ion, which lies on a centre of inversion. The structure is stabilized by hydrogen bonding. Distances in the coordination sphere are Ni—N3(5HtpO) 2.132 (2), Ni—O(water) 2.085 (2) and Ni—N(thio­cyanato) 2.040 (2) Å.     

三段加热系统对大尺寸MPOF预制棒一步拉伸工艺

采用自行设计的微结构聚合物光纤专用拉丝系统对大尺寸微结构聚合物光纤预制棒的一步拉伸工艺进行了研究.该微结构聚合物光纤加热系统采用三段式梯度加热,可保持炉内温度的控制准确度在±2℃以内.在保持送料速度与牵引速度恒定、协调的条件下,通过对温度场温度梯度控制优化,确定了最佳拉丝温度组合,并得到了直径规格310 μm、标准偏差为±20 μm的较高质量的微结构聚合物光纤.     

蓝绿光敏感的非水溶性光致聚合物特性研究

报导了一种新型蓝绿光敏感的非水溶性光致聚合物材料,这种材料以聚醋酸乙烯酯为成膜物,9-乙烯基咔唑(NVC),甲基丙烯酸2-苯氧乙脂(POEA)和双季戊四醇五丙烯酸酯为单体,Dye3和Dye4为光敏剂,邻氯代六芳基双咪唑(O-CL-HABI)为共引发剂.本材料能同时对蓝光和绿光敏感,用蓝光和绿光分别或同时对该材料曝光,可得到清晰图像.测得的两种衍射效率分别不低于80%.     

水体透射光谱结合主成分分析(PCA )改进化学需氧量(COD)含量估算研究

化学需氧量（Chemical Oxygen Demand,COD）是水体有机污染的一项重要指标,化学需氧量越高,表示水污染程度越严重。 为了解决传统的COD测量方法耗时较长,不利于快速、实时地获取水体中COD的信息等问题。本文提出了基于透射光谱测量结合主成分分析(Principal Component Analysis, PCA)改进水体COD含量估算模型。具体的,采集100组COD水体光谱信息,分别使用3种不同的高光谱数据预处理方法对光谱数据进行预处理,分析不同预处理方法对模型精度的影响,并基于不同的预处理方法分别建立高斯过程回归模型(Gaussian Process Regression, GPR)和BP神经网络模型,分析不同预处理方法对模型精度的影响;并对各模型结合PCA数据降维方法进行模型的改进,通过比较模型的精度选择最优模型进行水体COD含量的检测。结果显示,相比于原始光谱数据建立的GPR模型和BP神经网络模型,数据预处理后的模型精度明显提升;且结合PCA对预处理后的数据进一步降维处理后,模型精度得到了进一步的提升。其中,基于标准正态变量变换特征结合PCA改进BP神经网络模型基于PCA改进的BP神经网络模型R^2高达0.9940,均方根误差RMSE为0.022540。证明了基于PCA改进的BP神经网络数据降维方法对预处理后的光谱数据进行降维处理,有利于去除光谱中的冗余信息,提取特征信息,可以实现高光谱检测方法可以实现COD含量估算模型的优化,从而为传统COD测量方法存在的问题提出了一种新的解决思路。     

WRSN的最短路径规划和最优电池容量研究

针对单个移动充电器自身耗能最短路径规划问题,采用基于改良圈修正初解的遗传算法进行求解,同时利用LKH算法进行检验得到一致的结果,最终得出的路径最小值为11483.24m.在此基础上,对于最小电池容量的问题,创新性地提出了条件大规模传感器电池容量和中小型传感器电池下的时变模型,并给出其中下满足不同周期的最小电池容量方案.     

光折变材料的带隙结构研究

利用光子晶体的概念和时域有限差分方法计算了当光折变材料的空间折射率呈一维正弦变化时其内部的带隙结构情况,表明在光折变材料中存在极窄的光子带隙。最后讨论了折射率(n)、折射率调制幅度(△n)、周期长度(D)及周期数(N)对光子带隙的影响。     

鲁氏毛霉发酵产物壳聚糖硫酸酯化的研究

利用鲁氏毛霉(Mucor rouxii)3.2545发酵产生壳聚糖,然后用氯磺酸/甲酰胺方法对壳聚糖进行硫酸酯化,当底物壳聚糖用量为1g时,其最佳反应条件为:10mL甲酰胺中氯磺酸添加量为3.0mL;反应温度为70℃;反应时间为3.Oh.其中反应温度对反应的影响最大.在最适反应条件下,壳聚糖硫酸酯的硫含量可以达到16.04%.通过红外光谱分析,发现壳聚糖已经成功地被硫酸酯化,而且结构与肝素相似.此外,所得产物还具有抗凝血和抗血栓的性质,其抗血栓的性质优于肝素.