Flexible all-biomass gas sensor based on doped carbon quantum dots/nonwoven cotton with discriminative function

Carbon quantum dots (CQDs) co-doped with N, P and S derived from expired milk was prepared by a simple hydrothermal method. By dipping pure cotton face towel (PCFT) into CQDs ink, a flexible all-biomass CQDs/PCFT sensor was prepared for the first time. Due to the heteroatom doping, extremely small particle size of CQDs and excellent permeability of CQDs/PCFT film, the flexible CQDs/PCFT sensor showed the high sensitivity and bending stability. In the range of 0–60° bending states, the responses of CQDs/PCFT sensor to four target analytes changed by less 5.0%. After 3000 bending of 60°, the maximum change of the response to the target analytes was only 6.4%. Interestingly, due to the abundant functional groups and defects of CQDs, the flexible CQDs/PCFT sensor displayed sensing curves of different shapes for different target analytes. In this way, by establishing a database of sensing curves of target analytes, multiple analytes can be detected discriminatively by relying only on single sensor with the help of image recognition. This work provided a reference for the development of cotton fiber based all biomass flexible gas sensor.

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新型喹喔啉-三苯胺衍生物的合成及其对Fe3+的识别性能

以4,4-二溴苯偶酰为原料,经过两步反应得到一种新的喹喔啉-三苯胺衍生物4',4''-（6-溴喹喔啉-2,3-二基）双（N,N-二苯基-[1,1'-联苯] -4-胺）（TP1）。通过¹H NMR、¹³C NMR和HR-MS对其结构进行了表征,并利用紫外-可见吸收光谱和荧光光谱研究了衍生物对Fe³⁺的识别性能。光谱测试结果表明：衍生物溶液与Fe³⁺作用后,296nm处的吸光度出现明显变化,说明TP1能选择性识别Fe³⁺;当Fe³⁺浓度为4～200μmol/L时,TP1吸光度与Fe³⁺浓度呈现良好的线性回归关系(R²=0.9977)。      

Inverse screening of Simvastatin kinase targets from glioblastoma druggable kinome

The statin drug Simvastatin is a HMG-CoA reductase inhibitor that has been widely used to lower blood lipid. However, the drug is clinically observed to reposition a significant suppressing potency on glioblastoma (GBM) by unexpectedly targeting diverse kinase pathways involved in GBM tumorigensis. Here, an inverse screening strategy is described to discover potential kinase targets of Simvastatin. Various human protein kinases implicated in GBM are enriched to define a druggable kinome; the binding behavior of Simvastatin to the kinome is profiled systematically via an integrative computational approach, from which most kinases have only low or moderate binding potency to Simvastatin, while only few are identified as promising kinase hits. It is revealed that Simvastatin can potentially interact with certain known targets or key regulators of GBM such as ErbB, c-Src and FGFR signaling pathways, but exhibit low affinity to the well-established GBM target of PI3K/Akt/mTOR pathway. Further assays determine that Simvastatin can inhibit kinase hits EGFR, MET, SRC and HER2 at nanomolar level, which are comparable with those of cognate kinase inhibitors. Structural analyses reveal that the sophisticated T790 M gatekeeper mutation can considerably reduce Simvastatin sensitivity to EGFR by inducing the ligand change between different binding modes.     

Heteroepitaxial growth of thin InAs layers on GaAs(1 0 0) misoriented substrates: A structural and morphological comparison

Thin InAs epilayers were grown on GaAs(1 0 0) substrates exactly oriented and misoriented toward [1 1 1]A direction by atmospheric pressure metalorganic vapor phase epitaxy. InAs growth was monitored by in situ spectral reflectivity. Structural quality of InAs layers were studied by using high-resolution X-ray diffraction. No crystallographic tilting of the layers with respect to any kind of these substrates was found for all thicknesses. This result is discussed in terms of In-rich growth environment. InAs layers grown on 2° misoriented substrate provide an improved crystalline quality. Surface roughness of InAs layers depend on layer thickness and substrate misorientation.     

抛光区域几何特征与流场创成关键参数关系

磁流变抛光在其实际工作过程中,抛光区域几何特征的不同将会对流场创成的关键参数产生很大的影响。针对此问题建立三维模型与实验仿真展开研究。在研究抛光区域几何特征与流场创成关键参数的关系时,先改变抛光区域形状,观察其对流场创成中剪切应力、压力产生的影响;再控制抛光区域的形状相同时,通过改变抛光区域尺寸大小,观察对流场创成中剪切应力、压力产生的影响。结果表明:当抛光区域形状不同时,抛光区域为凹面时剪切应力最大,抛光区域为凸面时剪切应力最小。当抛光区域形状为凸面时,抛光区域两边的剪切应力随着抛光区域曲率大小增大而增大;当抛光区域形状为凹面,抛光区域两边的剪切应力随着抛光区域曲率大小增大而减小。当抛光区域形状不同时,抛光区域为凹面时压力最大,抛光区域为凸面时压力最小。当抛光区域形状为凸面时,抛光区域处的压力随着抛光区域曲率增大而增大;当抛光区域形状为凹面时,抛光区域处的压力随着抛光区域曲率增大而减小。     

单层MXene纳米片Ti2N电磁特性的过渡金属(Sc、V、Zr)掺杂效应

二维材料MXene纳米片由于具有较大的比表面积和较高的电子迁移率而受到广泛的关注。本文采用基于密度泛函理论的第一性原理计算,对单层MXene纳米片Ti₂N电磁特性的过渡金属(Sc、V、Zr)掺杂效应进行了系统研究。结果表明,所有过渡金属掺杂体系结合能均为负值,结构均稳定;其中Ti₂N-Sc体系的形成能为-2.242 eV,结构更易形成,且保持稳定;掺杂后Ti₂N-Sc、Ti₂N-Zr体系磁矩增大;此外,Ti₂N-Sc体系中保留了较高的自旋极化率,达到84.9%,可预测该体系在自旋电子学中具有潜在的应用价值。     

四阶不完全对称张量M-特征值的新包含域及应用

四阶不完全对称张量的M-特征值在非线性弹性材料分析中有着广泛的应用.本文的目的是给出四阶不完全对称张量M-特征值的新包含域,得到最大M-特征值上界更精确的估计,并将得到的上界估计值应用到计算最大M-特征值的WQZ算法中,数值例子验证了结果的有效性.最后,基于得到的包含域,给出了四阶不完全对称张量正定性判定的充分条件.     

基于Christopherson迭代的超精密加工流场分析方法

随着特种超精密加工技术的发展,复杂流体被越来越多地用于超精密加工工艺中。超精密加工流场分析具有几何特征复杂、流体本构特性多样、流体边界为自有边界等特点,传统流体数值分析方法难以实现可靠分析。从流体的一般特性出发,将D. G. Christopherson提出的非负二阶偏微分系统的超松弛迭代方法用于超精密加工流场分析,建立了适应性与可靠性兼顾的流场分析方法。以磁流变抛光为例,开展了抛光区域压力场数值计算,结果表明所得压力分布形态正确,且分布从x轴正半轴延伸到负半轴,与郑立功等人的实验测定结果一致。另外,基于Kistler力传感器对磁流变抛光过程的法向压力在0.1~0.3 mm浸深段进行了在位测量,发现计算与实验结果偏差均小于20%。表明了该方法的有效性与准确性。     

以地西泮为例解析药物化学名的命名方法

为了能有效地学习和掌握药物的化学名，笔者以药物地西泮为例，按照"六步命名法则"，全面详细地解析药物化学名的命名方法，并进一步举例验证其普适性，该方法能为学习药物化学名的命名提供帮助，也能为相关专业的教学提供参考。     

Palladium/copper-catalyzed tandem Sonogashira coupling/lactonization of methyl 2-(2′,2′-dibromovinyl)benzoate with terminal alkynes: Facile access to 3-alkynyl isocoumarins

An efficient palladium/copper-catalyzed tandem Sonogashira reaction/lactonization of methyl 2-(2′,2′-dibromovinyl)benzoate with terminal alkynes has been developed. This facile and direct approach furnishes a variety of 3-alkynyl isocoumarins in moderate to good yields under mild reaction conditions. Furthermore, this method enables concise total synthesis of natural products 3′-hydroxycorfin and gymnopalynes A.