液相色谱-串联质谱技术在临床检验中的应用研究进展

液相色谱-串联质谱（LC-MS/MS）技术具有高灵敏度、高特异性、高分辨率和高效率的优点。近年来随着仪器灵敏度的提高，LC-MS/MS在常规临床检验中显示出极大的潜力，并在疾病早期预防和诊断中发挥着不可替代的作用。本文对LC-MS/MS在新生儿疾病筛查、维生素D检测、内分泌激素检测、肽类和蛋白质定量分析等临床检验方面的研究进展进行综述，并讨论了未来面临的挑战。     

Reusable Polyacrylonitrile-Sulfur Extractor of Heavy Metal Ions from Wastewater

Mercury, lead, and cadmium are among the most toxic and carcinogenic heavy metal ions (HMIs), posing serious threats to the sustainability of aquatic ecosystems and public health. There is an urgent need to remove these ions from water by a cheap but green process. Traditional methods have insufficient removal efficiency and reusability. Structurally robust, large surface-area adsorbents functionalized with high-selectivity affinity to HMIs are attractive filter materials. Here, an adsorbent prepared by vulcanization of polyacrylonitrile (PAN), a nitrogen-rich polymer, is reported, giving rise to PAN-S nanoparticles with cyclic π-conjugated backbone and electronic conductivity. PAN-S can be coated on ultra-robust melamine (ML) foam by simple dipping and drying. In agreement with hard/soft acid/base theory, N- and S-containing soft Lewis bases have strong binding to Hg²⁺, Pb²⁺, Cu²⁺, and Cd²⁺, with extraordinary capture efficiency and performance stability. Furthermore, the used filters, when collected and electrochemically biased in a recycling bath, can release the HMIs into the bath and electrodeposit on the counter-electrode as metallic Hg⁰, Pb⁰, Cu⁰, and Cd⁰, and the PAN-S@ML filter can then be reused at least 6 times as new. The electronically conductive PAN-S@ML filter can be fabricated cheaply and holds promise for scale-up applications.     

基于堆叠稀疏去噪自动编码网络与多隐层反向传播神经网络的铣刀磨损预测模型

刀具磨损状态是机械加工过程中需考虑的重要因素之一.针对铣刀磨损的在线预测问题,建立了一种基于深度学习的铣刀磨损预测模型.首先,将采集到的铣刀切削时的振动信号进行小波去噪后,利用快速傅里叶变换和小波包分解等技术提取时域、频域及时频域上的特征参数,并根据相关性分析从中筛选出合格的特征参数合并为特征向量,以此作为堆叠稀疏去噪自动编码网络(SSDAE)的含噪样本.其次,利用特征后处理的方式对已经筛选出的特征参数进行单调不递减及平滑处理,并将其作为SSDAE的无噪样本来训练该网络.然后,将经过SSDAE降维后的特征向量作为多隐层反向传播神经网络(BPNN)的输入,以这些特征对应的实际铣刀的磨损量作为标签对该网络进行拟合训练.最后,对训练好的模型进行实验验证,通过测试数据集和人为加入噪声的测试数据集的对比,结果显示所提模型不仅具有较高的预测精度,还具有较高的鲁棒性.     

Theoretical study on a kind of cyclization mechanism of boron trichloride and hexamethyldisilazane to form the borazine ring for SiBCN ceramics precursor

Borazine rings act as a pivotal part in siliconboroncarbonitride ceramics (SiBCN) for high-temperature stability and great resistance to crystallization. A detailed investigation of the ring formation mechanism will guide the design and synthesis of SiBCN to meet application requirements under extreme conditions. Boron trichloride (BCl₃) and hexamethyldisilazane (HN(SiMe₃)₂) are common raw materials for the synthesis of precursors for SiBCN. In this paper, quantum chemical calculation was used to study the cyclization reaction mechanism between BCl₃ and HN(SiMe₃)₂ to form trichloroborazine (TCBZ) at the MP2/6-31G (d,p) level of theory. We discussed the structure properties, reaction pathways, energy barriers, reaction rates, and other aspects in detail. The results show that BCl₃ and HN(SiMe₃)₂ alternately participate in the reaction process, accompanied by the release of trimethylchlorosilane (TMCS), and that the entire reaction shows an absolute advantage in terms of energy. In the Step by step reaction, lower reaction barriers are formed due to the introduction of BCl₃ with more heat released compared to that for the introduction of HN(SiMe₃)₂. The final single-molecule cyclization and TMCS elimination steps are found to be faster compared to all previous bimolecular reactions.     

一株产羧酸酯酶菌的鉴定及酯酶特征的研究

目的:鉴定中国白酒发酵过程中的微生物种类，研究关键酶的特征与作用机制有利于提高白酒的优质品率。方法:本研究用形态学和生理学、16S rRNA、gyr B基因和antiSMASH分析的方法对酒曲中的一株微生物进行了验证；对该菌株的特性进行了研究，采用分子建模的方法获得了羧酸酯酶的3D模型，用分子对接的方法探讨了该菌株的羧酸酯酶的机理。结果:该菌株为产羧酸酯酶的革兰氏阴性菌Pb1（MW580690）；该菌株呈现典型的S型生长曲线，产物曲线为S型，羧酸酯酶活化最优pH范围为5.0~9.0。分子对接结果显示Phe21A为该酶具有催化活性的主要氨基酸，水解三丁酸甘油酯为丁酸和甘油。分子对接结果显示三丁酸甘油酯经过构象变化被转移到催化中心后，进一步被加工；酶的亲水性和疏水性的相互作用表面有利于配体向下转移，进而从疏水性通道释放产物到的酶表面。结论:产羧酸酯酶的菌株为贝莱斯芽胞杆菌，并为羧酸酯酶水解三丁酸甘油酯类物质的底物识别、转移和催化机理提供了新的见解。     

Nanomaterials for radiotherapeutics-based multimodal synergistic cancer therapy

Over the past decade, numerous studies have attempted to enhance the effectiveness of radiotherapy (external beam radiotherapy and internal radioisotope therapy) for cancer treatment. However, the low radiation absorption coefficient and radiation resistance of tumors remain major critical challenges for radiotherapy in the clinic. With the development of nanomedicine, nanomaterials in combination with radiotherapy offer the possibility to improve the efficiency of radiotherapy in tumors. Nanomaterials act not only as radiosensitizers to enhance radiation energy, but also as nanocarriers to deliver therapeutic units in combating radiation resistance. In this review, we discuss opportunities for a synergistic cancer therapy by combining radiotherapy based on nanomaterials designed for chemotherapy, photodynamic therapy, photothermal therapy, gas therapy, genetic therapy, and immunotherapy. We highlight how nanomaterials can be utilized to amplify antitumor radiation responses and describe cooperative enhancement interactions among these synergistic therapies. Moreover, the potential challenges and future prospects of radio-based nanomedicine to maximize their synergistic efficiency for cancer treatment are identified.

     

“聚龙一号”装置四层圆盘锥磁绝缘传输线的三维粒子模拟研究

介绍了"聚龙一号"中四层圆盘锥磁绝缘传输线(MITL)的基本理论。在CPIPIC平台上,采用非均匀网格和周期性对称边界条件,建立了"聚龙一号"的四层圆盘锥MITL的三维粒子模拟模型。设置相应的参数并用并行算法模拟得到了该器件中各层在绝缘堆上和MITL中间位置的电流和汇流后的电流,并与理论和实验数据进行相互对比验证。模拟结果表明整个器件在达到磁绝缘状态后具有很高的传输效率,并与实验结果相互验证,为以后进一步的研究提供了保证。     

适应不同重力环境的仿壁虎机器人运动仿真

针对不同重力环境下仿壁虎机器人的运动稳定性、运动高效协调性等问题,基于四足机器人的步态规划现状和仿壁虎机器人自身特定的机械结构,设计了仿壁虎机器人在g、0、-g 3种环境下的足端轨迹和运动步态。在ADAMS仿真软件中研究了机器人的运动学和动力学特性,得到了仿壁虎机器人稳定爬行与脚掌黏附力、足端轨迹和运动步态的关系。探讨了仿真结果的合理性和局限性,为仿壁虎机器人在实际环境中的稳定运动奠定了理论基础。     

面部运动单元检测研究综述

面部运动单元检测旨在让计算机从给定的人脸图像或视频中自动检测需要关注的运动单元目标。经过二十多年的研究，尤其是近年来越来越多的面部运动单元数据库的建立和深度学习的兴起，面部运动单元检测技术发展迅速。首先，阐述了面部运动单元的基本概念，介绍了已有的常用面部运动单元检测数据库，概括了包括预处理、特征提取、分类器学习等步骤在内的传统检测方法；然后针对区域学习、面部运动单元关联学习、弱监督学习等几个关键研究方向进行了系统性的回顾梳理与分析；最后讨论了目前面部运动单元检测研究存在的不足以及未来潜在的发展方向。