Simple test system for single molecule recognition force microscopy

We have established an easy-to-use test system for detecting receptor-ligand interactions on the single molecule level using atomic force microscopy (AFM). For this, avidin-biotin, probably the best characterized receptor-ligand pair, was chosen. AFM sensors were prepared containing tethered biotin molecules at sufficiently low surface concentrations appropriate for single molecule studies. A biotin tether, consisting of a 6 nm poly(ethylene glycol) (PEG) chain and a functional succinimide group at the other end, was newly synthesized and covalently coupled to amine-functionalized AFM tips. In particular, PEG₈₀₀ diamine was glutarylated, the mono-adduct NH₂-PEG-COOH was isolated by ion exchange chromatography and reacted with biotin succinimidylester to give biotin-PEG-COOH which was then activated as N-hydroxysuccinimide (NHS) ester to give the biotin-PEG-NHS conjugate which was coupled to the aminofunctionalized AFM tip. The motional freedom provided by PEG allows for free rotation of the biotin molecule on the AFM sensor and for specific binding to avidin which had been adsorbed to mica surfaces via electrostatic interactions. Specific avidin-biotin recognition events were discriminated from nonspecific tip-mica adhesion by their typical unbinding force (∼40 pN at 1.4 nN/s loading rate), unbinding length (<13 nm), the characteristic nonlinear force-distance relation of the PEG linker, and by specific block with excess of free d-biotin. The convenience of the test system allowed to evaluate, and compare, different methods and conditions of tip aminofunctionalization with respect to specific binding and nonspecific adhesion. It is concluded that this system is well suited as calibration or start-up kit for single molecule recognition force microscopy.     

Perturbational approach to the electron correlation cusp applied to helium‐like atoms

A recently proposed perturbational approach to the electron correlation cusp problem 1 is tested in the context of three spherically symmetrical two‐electron systems: helium atom, hydride anion, and a solvable model system. The interelectronic interaction is partitioned into long‐ and short‐range components. The long‐range interaction, lacking the singularities responsible for the electron correlation cusp, is included in the reference Hamiltonian. Accelerated convergence of orbital‐based methods for this smooth reference Hamiltonian is shown by a detailed partial wave analysis. Contracted orbital basis sets constructed from atomic natural orbitals are shown to be significantly better for the new Hamiltonian than standard basis sets of the same size. The short‐range component becomes the perturbation. The low‐order perturbation equations are solved variationally using basis sets of correlated Gaussian geminals. Variational energies and low‐order perturbation wave functions for the model system are shown to be in excellent agreement with highly accurate numerical solutions for that system. Approximations of the reference wave functions, described by fewer basis functions, are tested for use in the perturbation equations and shown to provide significant computational advantages with tolerable loss of accuracy. Lower bounds for the radius of convergence of the resulting perturbation expansions are estimated. The proposed method is capable of achieving sub‐μHartree accuracy for all systems considered here. © 2003 Wiley Periodicals, Inc. Int J Quantum Chem, 2003     

Structural and dynamical properties of methane clathrate hydrates

Equilibrium molecular dynamics (MD) simulations have been performed in both the NVT and NPT ensembles to study the structural and dynamical properties of fully occupied methane clathrate hydrates at 50, 125, and 200 K. Five atomistic potential models were used for water, ranging from fully flexible to rigid polarizable and nonpolarizable. A flexible and a rigid model were utilized for methane. The phonon densities of states were evaluated and the localized rattling modes for the methane molecules were found to couple to the acoustic phonons of the host lattice. The calculated methane density of states was found to be in reasonable agreement with available experimental data.     

Investigation of the Curing Mechanism in the GPTS/APTS Binder System

The acid catalyzed sol-gel reaction in the mixed binder system, 3-glycidoxypropyltrimethoxysilane (GPTS)/3-aminopropyltriethoxysilane (APTS) was investigated and one step and two step synthesis process were compared. Hydrolysis product was observed using the ¹H, ¹³C NMR and Raman spectra. Especially, based on the Raman spectra, epoxy ring opening was observed, varying the ratio of GPTS to APTS. The two step process made clear sol, while the one step process resulted in a milky suspension. According to the Raman spectra, the epoxy ring opening reaction kinetics proceeded slower in the two step process than one step process. Throughout the two step process, it was possible to apply the binder for the coating of substrate.     

金属组学在急性心肌梗死早期诊断的应用

为探讨急性心肌梗死(AMI)患者血清中K⁺、Na⁺、Ca²⁺、Fe²⁺、Mg²⁺含量变化,并研究其与心肌梗死患者之间的关系。选取2022年5月至2023年2月收治的AMI患者37例,同时选取健康体检者35例作为对照组。依据入院时或体检时收集的抽血样本进行临床生化分析,比较两组间血清K⁺、Na⁺、Ca²⁺、Fe²⁺、Mg²⁺含量,采用判别方程、主成分分析法(PCA),判断分析哪种金属离子对于心肌梗死的诊断价值大。结果表明,AMI患者的血清中Ca²⁺和Fe²⁺含量低于健康对照组,差异具有统计学意义。基于血钙、铁水平两组具有显著性差异,以它们为基础进行判别分析,获得判别函数式。将血清中K⁺、Na⁺、Ca²⁺、Fe²⁺、Mg²⁺     

Computer-Aided Detection of Quantitative Signatures for Breast Fibroepithelial Tumors Using Label-Free Multi-Photon Imaging

Fibroadenomas (FAs) and phyllodes tumors (PTs) are major benign breast tumors, pathologically classified as fibroepithelial tumors. Although the clinical management of PTs differs from FAs, distinction by core needle biopsy diagnoses is still challenging. Here, a combined technique of label-free imaging with multi-photon microscopy and artificial intelligence was applied to detect quantitative signatures that differentiate fibroepithelial lesions. Multi-photon excited autofluorescence and second harmonic generation (SHG) signals were detected in tissue sections. A pixel-wise semantic segmentation method using a deep learning framework was used to separate epithelial and stromal regions automatically. The epithelial to stromal area ratio and the collagen SHG signal strength were investigated for their ability to distinguish fibroepithelial lesions. An image segmentation analysis with a pixel-wise semantic segmentation framework using a deep convolutional neural network showed the accurate separation of epithelial and stromal regions. A further investigation, to determine if scoring the epithelial to stromal area ratio and the SHG signal strength within the stromal area could be a marker for differentiating fibroepithelial tumors, showed accurate classification. Therefore, molecular and morphological changes, detected through the assistance of computational and label-free multi-photon imaging techniques, enable us to propose quantitative signatures for epithelial and stromal alterations in breast tissues.     

Paul阱中共线两离子量子力学问题

运用熟知的级数截断方法,设计程序计算了线性Paul阱中两离子量子门系统Schr(o)dinger方程的精确解,分析了质心波函数几个较低能级的态,并作出对应的几率分布图;计算相对距离的方均差△r2＞(h)/2,相对运动的动量方均差△p2＜(h)/2,并满足量子力学的Heisenberg不确定度关系△r.△p＞(h)/2,它满足压缩态的条件,即质心处于基态时,两离子相对位置的量子态是一个压缩态,并得到了两离子纠缠态的表达式.纠缠的存在对量子计算和量子信息有影响,量子测量的不确定度和纠缠是在实验中应加以考虑的问题.     

匹配追踪消噪在故障诊断中的应用

为了更有效地消除齿轮泵振动信号的噪声,引入匹配追踪消噪方法。该方法采用匹配追踪算法,通过迭代提取信号的相关结构,再利用提取的相关结构来估计信号的逼近,从而达到消噪的目的。在此基础上,采用中值滤波和线性回归算法来终止迭代过程。最后利用该方法对齿轮泵壳体的振动信号进行消噪处理。结果表明,该方法保留了信号的基本特征,有效地消除了大量的噪声。     

线性代数是蓝色的——大学非数学专业《线性代数》的课程设计

线性代数不仅是处理多元问题的有力工具,而且具有强烈的思辨性.大学本科教育应该是"泛专业的高等素质教育",作为公共基础课之一的《线性代数》,也应着眼于学生综合科学素质的培养,注意对学生进行思维训练.本文提出线性代数的教学理念:"提出处理多元问题的新要求,沿着多元整合的集成化思路推进,逐步把学生引上线性变换和线性空间的思维平台."为此,本文进行了"五模块、两阶段、三层次"的课程设计,希望对讲授该课程的教师有所裨益.     

Intelligent Fault Diagnosis of Industrial Robot Based on Multiclass Mahalanobis-Taguchi System for Imbalanced Data

One of the biggest challenges for the fault diagnosis research of industrial robots is that the normal data is far more than the fault data; that is, the data is imbalanced. The traditional diagnosis approaches of industrial robots are more biased toward the majority categories, which makes the diagnosis accuracy of the minority categories decrease. To solve the imbalanced problem, the traditional algorithm is improved by using cost-sensitive learning, single-class learning and other approaches. However, these algorithms also have a series of problems. For instance, it is difficult to estimate the true misclassification cost, overfitting, and long computation time. Therefore, a fault diagnosis approach for industrial robots, based on the Multiclass Mahalanobis-Taguchi system (MMTS), is proposed in this article. It can be classified the categories by measuring the deviation degree from the sample to the reference space, which is more suitable for classifying imbalanced data. The accuracy, G-mean and F-measure are used to verify the effectiveness of the proposed approach on an industrial robot platform. The experimental results show that the proposed approach’s accuracy, F-measure and G-mean improves by an average of 20.74%, 12.85% and 21.68%, compared with the other five traditional approaches when the imbalance ratio is 9. With the increase in the imbalance ratio, the proposed approach has better stability than the traditional algorithms.