Pure Ion Chromatograms Combined with Advanced Machine Learning Methods Improve Accuracy of Discriminant Models in LC–MS-Based Untargeted Metabolomics

Untargeted metabolomics based on liquid chromatography coupled with mass spectrometry (LC–MS) can detect thousands of features in samples and produce highly complex datasets. The accurate extraction of meaningful features and the building of discriminant models are two crucial steps in the data analysis pipeline of untargeted metabolomics. In this study, pure ion chromatograms were extracted from a liquor dataset and left-sided colon cancer (LCC) dataset by K-means-clustering-based Pure Ion Chromatogram extraction method version 2.0 (KPIC2). Then, the nonlinear low-dimensional embedding by uniform manifold approximation and projection (UMAP) showed the separation of samples from different groups in reduced dimensions. The discriminant models were established by extreme gradient boosting (XGBoost) based on the features extracted by KPIC2. Results showed that features extracted by KPIC2 achieved 100% classification accuracy on the test sets of the liquor dataset and the LCC dataset, which demonstrated the rationality of the XGBoost model based on KPIC2 compared with the results of XCMS (92% and 96% for liquor and LCC datasets respectively). Finally, XGBoost can achieve better performance than the linear method and traditional nonlinear modeling methods on these datasets. UMAP and XGBoost are integrated into KPIC2 package to extend its performance in complex situations, which are not only able to effectively process nonlinear dataset but also can greatly improve the accuracy of data analysis in non-target metabolomics.     

Slow-light fourier transform interferometer

We describe a new type of Fourier transform (FT) interferometer in which the tunable optical delay between the two arms is realized by using a continuously variable slow-light medium instead of a moving arm as in a conventional setup. The spectral resolution of such a FT interferometer exceeds that of a conventional setup of comparable size by a factor equal to the maximum group index of the slow-light medium. The scheme is experimentally demonstrated by using a rubidium atomic vapor cell as the tunable slow-light medium, and the spectral resolution is enhanced by a factor of approximately 100.     

基于ARM和nRF905组网的智能家居系统设计

针对家居中电器种类和数目繁多且分散于各室造成控制不便,提出了一种利用nRF905射频模块实现无线通信的智能家居控制系统。系统对射频数据传输协议进行了设计,给出了室内多个微控制器的组网方案。用户通过手机短信或万能遥控器把对家电的控制信号发送至基于ARM平台搭建的主控中心,再由主控中心发送至若干个通信节点或智能插座,万能遥控器通过射频信号实现对家电的近距离遥控,手机通过GSM通信实现对家电的远程遥控。通信节点基于STC89C52RC单片机设计,能够实现对多种红外家电的控制并具备安防报警功能,智能插座则用于控制非遥控家电。实验表明,该系统可使网络中各节点、插座得到有效的控制,数据传输稳定、功能丰富、可扩展性强,具备较高的应用价值。     

A Protic Ionic Liquid Catalyzes CO2 Conversion at Atmospheric Pressure and Room Temperature: Synthesis of Quinazoline‐2,4(1H,3H)‐diones

The chemical fixation of CO₂ under mild reaction conditions is of significance from a sustainable chemistry viewpoint. Herein a CO₂‐reactive protic ionic liquid (PIL), [HDBU⁺][TFE^?], was designed by neutralization of the superbase 1,8‐diazabicyclo[5.4.0]undec‐7‐ene (DBU) with a weak proton donor trifluoroethanol (TFE). As a bifunctional catalyst for simultaneously activating CO₂ and the substrate, this PIL displayed excellent performance in catalyzing the reactions of CO₂ with 2‐aminobenzonitriles at atmospheric pressure and room temperature, thus producing a series of quinazoline‐2,4(1H,3H)‐diones in excellent yields.     

石墨烯纳米孔的制备及λ-DNA穿孔初步研究

纳米孔测序是有可能实现"$1,000 Genome"目标的技术之一.近年来,研究较多的纳米孔有蛋白质纳米孔和硅基材料的固态纳米孔.蛋白孔寿命比较短,而基于硅基底的固态纳米孔深度显著超过单链DNA相邻碱基的间距,所以,无法实现DNA的单个碱基的分辨.作者用聚焦离子束先制造氮化硅基底,并在该基底上铺设石墨烯,再用聚焦电子束刻蚀石墨烯,获得直径10 nm以下的纳米孔,初步分析了DNA穿越纳米孔时产生的电信号及穿孔噪音,向单层石墨烯纳米孔测序DNA迈出了一步.     

Synthesis and characterization of novel blue emitting Na2CaSiO4:Ce3+ phosphor

The blue phosphors Na_(2?x)Ca_(1?x)SiO₄:xCe³⁺ were synthesized by the sol–gel method and their luminescence characteristics were investigated for the first time. Structural information about prepared samples is obtained by analyzing the XRD patterns and SEM micrographs. The photoluminescence (PL) excitation spectra indicate that the Na_(2?x)Ca_(1?x)SiO₄:xCe³⁺ phosphors can be effectively excited by ultraviolet (360 nm) light. The PL emission spectra exhibit tunable blue broadband emission with the dominant wavelength of 427–447 nm under excitation of 360 nm by controlling the doping concentration of Ce³⁺. The concentration quenching effect for Ce³⁺ was found at the optimum doping concentration of 4 mol%. The Commission Internationale de l’Eclairage 1931 chromaticity coordinates of Na_1.96Ca_0.96SiO₄:0.04Ce³⁺ are (0.1447, 0.0787), which are better color purity compared to the commercial Eu²⁺-doped BaMgAl₁₀O₁₇ phosphor. Na_1.96Ca_0.96SiO₄:0.04Ce³⁺ composition shows intense blue emission (peak wavelength, 439 nm) with relative intensity versus commercial BaMgAl₁₀O₁₇:Eu²⁺ blue phosphor (Nichia) 65 and 158 % under 254 and 365 nm excitation, respectively. All the results indicate that Na_(2?x)Ca_(1?x)SiO₄:xCe³⁺ phosphors are potential candidate as a blue emitting phosphor for UV-converting white light-emitting diodes.     

Near‐Infrared Multipurpose Lanthanide‐Imaging Nanoprobes

Optical imaging plays a growing role in modern biomedical research and clinical applications due to its high sensitivity, superb spatiotemporal resolution and minimal hazards. Lanthanide‐doped nanoparticles (LDNPs), as a classical category of luminescent materials, exhibit promising photostability, near‐infrared (NIR)‐excited frequency up‐/down‐converting capabilities, emission fine‐tuning and multispectral features, which have greatly promoted the endeavors of deeper and clearer diagnostics in complex living conditions. This review focuses on the recent advances of LDNP‐based multipurpose imaging studies using upconversion, downshifting, lifetime, photoacoustic and multimodal nanoprobes in the NIR (650–1000 nm) and the second near‐infrared window (NIR‐II, 1000–1700 nm). The principle and design of various functional, activatable, multiplexing or multimodal lanthanide‐imaging nanoprobes (LINPs) as well as representative biophotonic applications are summarized in detail. In addition, the future perspectives and challenges for facilitating LINPs to clinical translations are discussed.     

小孔阵列衍射特性与应用

以单色标量波衍射理论为基础,研究了均匀平面波从不同角度入射小孔阵列的衍射特性。运用单孔衍射理论,同时考虑相邻小孔间衍射光强的相互影响,建立了小孔阵列衍射的理论模型和光强分布的数值积分式,小孔为硬边小孔。利用Matlab对500 nm波长的平面波入射微小方孔阵列衍射图样进行了计算机仿真,得到了不同几何参量下平面波从不同角度入射时的衍射图样的一维和二维光强分布图,并将仿真结果用于微型数字式太阳敏感器的光学系统中的结构参量设计和图像处理中的参量确定。太阳敏感器的成像实验结果表明,小孔阵列衍射光强分布图的仿真结果正确、太阳敏感器光学系统参量设计合理。小孔阵列衍射理论为太阳敏感器的光学系统设计和图像处理提供了可靠的理论基础。     

高效液相色谱法测定花生中黄曲霉毒素

本文报导了用高效液相色谱－荧光检测法测定了花生中黄曲霉毒素的方法，并做了回收验证。实验证明本法具有灵敏度高，分离能力强，测试结果准确可靠，色谱条件，ＲＰ１８柱，甲醇四氢呋喃水溶液作流动相，流速１ｍＬ／ｍｉｎ。     

农作物秸秆解聚研究

农作物秸秆是重要的生物质资源。本文从我国建立资源节约和环境友好社会目标的角度,论述了农作物秸秆高效利用的重要性和研究农作物秸秆解聚对开发农作物秸秆高效利用的新工艺的重要意义。介绍了农作物秸秆解聚的典型工艺及解聚产物组成分析和利用研究的进展,预测了农作物秸秆解聚研究的发展方向。