多体非完全经典态的基于Affinity的关联测度

在量子信息理论中,量子关联是一种极其重要的物理资源。文章首先定义了多体非完全经典态基于Affinity的一种量子关联测度,它可以量化多体非完全经典态的关联程度;接下来证明了该关联测度满足量子关联度的一些必要物理性质,包括非负性、局部酉操作下的不变性、局部量子操作下的单调性、凸性以及连续性。

Comparative study of trastuzumab modification analysis using mono/ multi-epitope affinity technology with LC-QTOF-MS

Dynamic tracking analysis of monoclonal antibodies(mAbs)biotransformation in vivo is crucial,as certain modifications could inactivate the protein and reduce drug efficacy.However,a particular challenge(i.e.immune recognition deficiencies)in biotransformation studies may arise when modifications occur at the paratope recognized by the antigen.To address this limitation,a multi-epitope affinity technology utilizing the metal organic framework(MOF)@Au@peptide@aptamer composite material was proposed and developed by simultaneously immobilizing complementarity determining region(CDR)mimotope peptide(HH24)and non-CDR mimotope aptamer(CH1S-6T)onto the surface of MOF@Au nanocomposite.Comparative studies demonstrated that MOF@Au@peptide@aptamer exhibited significantly enhanced enrichment capabilities for trastuzumab variants in comparison to mono-epitope affinity technology.Moreover,the higher deamidation ratio for LC-Asn-30 and isomerization ratio for HCAsn-55 can only be monitored by the novel bioanalytical platform based on MOF@Au@peptide@aptamer and liquid chromatography-quadrupole time of flight-mass spectrometry(LC-QTOF-MS).Therefore,multi-epitope affinity technology could effectively overcome the biases of traditional affinity materials for key sites modification analysis of mAb.Particularly,the novel bioanalytical platform can be successfully used for the tracking analysis of trastuzumab modifications in different biological fluids.Compared to the spiked phosphate buffer(PB)model,faster modification trends were monitored in the spiked serum and patients'sera due to the catalytic effect of plasma proteins and relevant proteases.Differences in peptide modification levels of trastuzumab in patients'sera were also monitored.In summary,the novel bioanalytical platform based on the multi-epitope affinity technology holds great potentials for in vivo biotransformation analysis of mAb,contributing to improved understanding and paving the way for future research and clinical applications.

Strategies for Enhancing the Affinity of College Ideological and Political Course Teachers

This article aims to explore effective ways to enhance the affinity of ideological and political course teachers in universities.By analyzing the connotation of affinity,the factors that affect the affinity of ideological and political course teachers are analyzed,and corresponding improvement strategies are proposed.Research suggests that strengthening the construction of teacher ethics and conduct,improving teaching skills,enhancing emotional engagement,and enhancing practical training are key paths to enhance the affinity of ideological and political course teachers.The implementation of these paths will help improve the teaching quality and effectiveness of ideological and political courses,and promote the comprehensive development of students.

A Deep Learning Drug-Target Binding Affinity Prediction Based on Compound Microstructure and Its Application in COVID-19 Drug Screening

Drug target relationship(DTR)prediction is a rapidly evolving area of research in com-putational drug discovery.Despite recent advances in computational solutions that have overcome the challenges of in vitro and in vivo experiments,most computational methods still focus on binary classification.They ignore the importance of binding affinity,which correctly distinguishes between on-targets and off-targets.In this study,we propose a deep learning model based on the microstruc-ture of compounds and proteins to predict drug-target binding affinity(DTA),which utilizes topo-logical structure information of drug molecules and sequence semantic information of proteins.In this model,graph attention network(GAT)is used to capture the deep features of the compound molecular graph,and bidirectional long short-term memory(BiLSTM)network is used to extract the protein sequence features,and the pharmacological context of DTA is obtained by combining the two.The results show that the proposed model has achieved superior performance in both cor-rectly predicting the value of interaction strength and correctly discriminating the ranking of bind-ing strength compared to the state-of-the-art baselines.A case study experiment on COVID-19 con-firms that the proposed DTA model can be used as an effective pre-screening tool in drug discovery.

Characteristics and Affinity of Tropical Flora in Southern China

The tropical flora in southern China is represented mainly by three regional flora, i.e. southern Yunnan (southwestern China), southwestern Guangxi (southwestern China) and Hainan Island (southern China). The floristic composition of each is concisely enumerated. Their geographical elements at generic level are analyzed. Furthermore, a comparison of floristic similarities between southern Yunnan and Hainan Island and Malay Peninsula and Brunei of western Malesia is made, based on existing regional flora treatments. The following is concluded: (1) The flora of southern China consists mainly of tropical floristic elements which contribute about 60% at the family level and more than 80 % at the generic level of its total flora. The dominant distribution type of the flora of southern China at the generic level is the tropical Asian distribution pattern. This reveals that the flora of southern China is of tropical nature with a strong tropical Asian affinity; (2) Most of the dominant families from the flora of southern China are also dominant in the Malesian flora. The floristic similarities between the regional flora of southern China and the regional flora of western Malesia are over 70% at the family level and more than 50% at the generic level. This suggests that the tropical flora of southern China belongs to the Malesian floristic region; (3) Situated at the northern margin of tropical Asia, on the other hand it is also obvious that the flora of southern China comprises less strictly tropical elements compared to the Malesian flora, and is consequently only a marginal type of the latter; (4) The close affinity of the flora of southern China to the Malesian flora can be explained by the geological history of southeast Asia.

Affinity Chromatography Purification of Recombinant Human Interleukin-6 from Its Fusion Protein with GST

Recombinant E.coli JM109, containing pHZ1818 plasmid which included the fused gene encoding human interleukin 6(IL 6), expressed a fusion protein with glutathion S transferase(GST). The fusion protein existed both in the supernatant and inside the bacterial cell,but the insoluble protein had no biological activity and could not be refolded. The rotative speed of the shaker and the temperature of induction were optimized to maximize the expression of the soluble fusion protein. From the supernatant of the cell sonicates Glutathion Sephrose 4B affinity column chromatography was employed to isolate the fusion protein which could be purified to >80 0 0 in a single step. The yield of soluble GST IL 6 was about 10 mg per liter culture. The GST was site specifically cloven by 6 hours of treatment with thrombin and from the thrombin digest mixture IL 6 was purified by Q high performance ion exchange chromatography. From 1 liter of E.coli culture 2 mg refined IL 6 was obtained. The purified IL 6 had a purity of more than 95 0 0 and a biological activity of 1.02×10 8 IU/mg.

Affinity and fluorescent detection of surfactants/ssDNA and single-walled carbon nanotube

A new biosensor platform was explored for detection of surfactant based on fluorescence changes from single strand DNA （ssDNA） and single-walled carbon nanotubes （SWNTs）. Thermodynamics assay was performed to value the stability of probe. The affinities of SWNT to five common surfactants （SDS, DBS, Triton X-100, Tween-20 and Tween-80） were investigated by real-time fluorescence method. The effects of Mg^2＋ and pH on the fluorescence intensity of self-assembled quenched sensor were performed. The fluorescent emission spectra were used to measure the responses of self-assembled quenched fluorescent of ssDNA/SWNTs to different concentration surfactant（Triton X-100）. The FAM-DNA wrapped SWNTs probe was stable in a wide temperature range （5 ℃ to 80℃）. The binding strength of surfactants and single-stranded DNA （ssDNA） on SWNTs surfaces was shown as follows： Triton X-100〉DBS〉Tween-20〉Tween-80〉ssDNA〉SDS, and the optimized reaction conditions included pH 7.4 and 10 mmol/L Mg2＋. The fluorescence of FAM-ssDNA wrapped SWNTs was proportionally recovered as a result of adding different concentrations of Triton X- 100, which realizes the quantitative detection of Triton X- 100.

基于Affinity Propagation算法的半监督微博水军识别

对微博网络空间中水军账户的识别研究,有助于清朗网络空间和维护社会安定。首先,文章针对微博水军不断进化、传统特征集无法覆盖现有水军特征,结合水军定义与原始特征,构造了新特征。然后,针对水军账户标注困难,无标注数据又没能充分利用的问题,提出了一种基于Affinity Propagation算法的半监督微博水军识别方法(APDHW)。该方法通过在Affinity Propagation算法中引入欧氏距离Radius阈值,再结合支持向量机分类算法,实现对微博水军识别。通过多组实验对比及实证研究,结果表明文章所提的微博水军识别方法在牺牲少量算法时间的情况下得到较好的识别效果,提升了水军识别的准确率和召回率。

Method and Progress of the Research on Virus Affinity Peptide

With the continuous progress on affinity peptide research, it has become more and more popular in pharmacology and medicine. lt is promising to study these viruses affinity peptide to treat infectious diseases. And the analysis on the virus affinity peptide with high selectivity and high sensitivity could provide valuable means for disease detection, treatment as wel as the study on the molecular mechanism of virus affinity peptide. Therefore, we reviewed the bioinformatics pre-diction technologies of computer simulation, molecular docking and homology model-ing, as wel as the research method on analyzing and screening virus affinity pep-tide, such as Phage display technology.

基于Affinity Propagation聚类方法的图像检索技术在数字图书馆中的应用

随着数字图书馆包含的内容逐渐丰富,数字图像也越来越多。为了有效地检索这些图像,迫切需要一种效率更高的检索方法。目前的基于内容的图像检索算法在检索时间和效率上都还不能满足这一需求。本文采用最新提出的Af-finity Propagation聚类方法和颜色-形状直方图特征,提出一种新的检索方法应用到数字图书馆进行图像检索。经过试验证明在查准率、查全率和检索时间上均有较大的提高。

Local and global approaches of affinity propagation clustering for large scale data

Recently a new clustering algorithm called 'affinity propagation' (AP) has been proposed, which efficiently clustered sparsely related data by passing messages between data points. However, we want to cluster large scale data where the similarities are not sparse in many cases. This paper presents two variants of AP for grouping large scale data with a dense similarity matrix. The local approach is partition affinity propagation (PAP) and the global method is landmark affinity propagation (LAP). PAP passes messages in the subsets of data first and then merges them as the number of initial step of iterations; it can effectively reduce the number of iterations of clustering. LAP passes messages between the landmark data points first and then clusters non-landmark data points; it is a large global approximation method to speed up clustering. Experiments are conducted on many datasets, such as random data points, manifold subspaces, images of faces and Chinese calligraphy, and the results demonstrate that the two ap-proaches are feasible and practicable.

Dyes with high affinity for polylactide

Attempts were made to develop dyes with high affinity for polylactide as an alternative to the existent commercial disperse dyes. The dyes synthesized according to the affinity concept of dye to polylactide exhibited excellent dyeing properties on polylactide compared with the commercial disperse dyes.

Male spike strobiles with Gnetum affinity from the Early Cretaceous in western Liaoning,Northeast China

A fossil with Gnetum affinity was found in the Jianshangou Member （Barremian Age） of the Yixian Formation （Lower Cretaceous Epoch） of the Jehol Group in western Liaoning, northeastern China. The single fossil specimen is represented by both elongate-cylindrical male spike strobiles which borne within a nodal bract of cauliflorous branch. The spike strobiles have apparent nodes, invisible internodes, and numerous verticillate involucral collars. The microsporangiate units within involucral collars are not seen. The male spike strobiles with verticillate involucral collars occur exclusively in Gnetum; hence, the fossil strobiles are attributed to a new taxon, Khitania columnispicata gen. ＆ sp. nov., being closely related to Gnetum. The general isotopic dating suggests an age of Barremian, ca. 125-122 million years （Myr） ago for the Jianshangou Member. The palaeoecological and palaeoclimatic inference based on the compositions of flora and fauna, and lithological characters of the fossil locality suggests that the fossil plants grew in a subtropical mesophytic forest and under a warmer climate. The remains of male spike strobiles are the first record of gnetalean macrofossil. It documents the evolution of the distinct gnetoid morphology and indicates a wider range of distribution of Gnetaceae in the Early Cretaceous than present day.

Synthesis of a New Series of Bone Affinity Compounds

A new series of bone affinity compounds were synthesized by linking chrysophanol with 5-fluorouracil derivatives. Their bone affinity was established by hydroxyapative （HA） affinity experiment in vitro, and their cytostatic effects were shown by the MTT assay.

DFT Calculations of the Ionization Potential and Electron Affinity of Alaninamide

Adiabatic and vertical ionization potentials （IPs） mad valence electron affmities （EAs） of alaninamide in gas phase have been detennined using density functional theory （BLYP, B3LYP, B3P86） methods with 6-311＋＋G（d, p） basis set, respectively. IPs and EAs of alaninamide in solutions have been calculated at the B3LYP/6-311＋＋G（d, p） level. Five possible conformers of alaninamide and their charged states have been optimized employing density functional theory B3LYP method with 6-311＋＋（d, p） basis set, respectively.

Preparation of Chitosan-coated Nylon Membranes and their Application as Affinity Membranes

Chitosan-coated nylon membranes which possess a large number of reactive groups of-CH2OH and -NH2 were prepared by coupling chitosan onto the nylon membrane. Then polylysine as ligand was also immobilized onto the composite membranes by 1, 1＇-carbonyl-diimidazole activation to prepare affinity membranes for bilirubin adsorption. The results showed that these membranes exhibited high binding affinity capacities for bilirubin and the adsorption isotherm fitted the Freundlich model well.

A new series of emodin derivatives with bone affinity

A new series of bone affinity compounds were synthesized by linking emodin with 5-fluorouracil derivatives. Their bone affinities were established by hydroxyapative (HA) affinity experiment in vitro, and their cytostatic effects were shown by the MTT assay.

Multiple Model Soft Sensor Based on Affinity Propagation, Gaussian Process and Bayesian Committee Machine

Presented is a multiple model soft sensing method based on Affinity Propagation （AP）, Gaussian process （GP） and Bayesian committee machine （BCM）. AP clustering arithmetic is used to cluster training samples according to their operating points. Then, the sub-models are estimated by Gaussian Process Regression （GPR）. Finally, in order to get a global probabilistic prediction, Bayesian committee mactnne is used to combine the outputs of the sub-estimators. The proposed method has been applied to predict the light naphtha end point in hydrocracker fractionators. Practical applications indicate that it is useful for the online prediction of quality monitoring in chemical processes.

Implications from protein uptake kinetics onto dextran-grafted Sepharose FF coupled with ion exchange and affinity ligands

Our previous studies have reported the presence of "chain delivery" effects of protein adsorption onto ion exchangers with polymer-grafted ion-exchange groups, such as dextran-grafted and poly(ethylenimine)-modified Sepharose gels. However, it is unclear if the "chain delivery" occurs on affinity adsorption with specific interactions. This work is designed to address this issue. A dextran-grafted Sepharose gel was prepared, and then the matrix was modified using diethylaminoethyl, a typical ion-exchange group, or octapeptide(FYCHWQDE), an affinity ligand for human immunoglobulin G(h Ig G) to prepare ion-exchange or affinity adsorbents, respectively.Results of h Ig G adsorption showed that the uptake rate represented by the effective diffusivity of h Ig G onto the dextran-grafted ion exchangers was obviously enhanced by the dextran grafting, indicating the presence of"chain delivery" of the bound proteins on the charged groups on the dextran chains. By contrast, the effective diffusivity of h Ig G changed little as ligand density increased on the dextran-grafted FYCHWQDE adsorbents.Their adsorption capacities decreased and effective diffusivities were not accelerated by the dextran grafting.Thus, this work clarified that grafted dextran could not accelerate h Ig G uptake rate on the affinity resins, or in other words, chain delivery did not occur on the specific interaction-based affinity adsorption.

Tectonic Affinity, T-t Path and Uplift Trajectory of Eclo gites from Northern Dabie Mountains, Central-Eastern China

Petrologic geochemistry and isotopic chronology of the eclogites sug ge st that most of the eclogites in northern Dabie Mountains produced from the Tria ssic Yangtze subducted continental crust (lower crust and formed during the deep subduction) and the metamorphosed mafic untramafic belt with eclogite, marble and meta peridotite blocks around the Mozitan Xiaotian fault zone may represen t the meta tectonic melange produced during the active subduction of an ancient oceanic slab and subsequent collision between the Yangtze and North China conti nental plates. The cooling history of the eclogites from ～900 ℃ to 300 ℃ can b e subdivided into three stages: one isothermal stage and two rapid cooling stage s. The initial stage between (230±6) and 210 Ma was a near isothermal or tempe rature rise process corresponding to the retrograded metamorphism of granulite facies with a rapid uplift of 4 mm/a, then two fast cooling stages occurred with cooling rate of ～10 ℃/Ma during 210 Ma to (172±3) Ma and ～4 ℃/Ma durin g (172±3) Ma to 130 Ma. After the peak metamorphism of eclogite facies, their in itial isothermal stage with slower uplift rate and cooling rate and high T overprinting of granulite facies metamorphism is the major difference between t he eclogites in northern Dabie Mountains from those in southern Dabie Mountains. This may be one of the most important reasons to preserve few evidences of earl ier ultrahigh pressure metamorphism.