Accurate calculation of electron affinity for S_3

The accurate equilibrium structures of S_3 and S_3^- are determined by the coupled-cluster method with single, double excitation and perturbative triple excitation(CCSD(T)) with basis sets of aug-cc-pV(n+d)Z(n = T, Q, 5, or 6), complete basis set extrapolation functions with two-parameters and three-parameters, together with considering the contributions due to the core-valence electron correlation, scalar relativistic effects, spin–orbit coupling, and zero-point vibrational corrections. Our calculations show that both the neutral S_3 and anion S_3^- have open forms with C_(2r) vsymmetry. On the basis of the stable geometries, the adiabatic electron affinity of S_3 is determined to be 19041(11) cm^(-1), which is in excellent agreement with the experimental data(19059(7) cm^(-1)). The dependence of geometries and electron affinity on the computation level and physical corrections is discussed. The present computational results are helpful to the experimental molecular spectroscopy and bonding of S_3.

Variable Speed Photovoltaic Water Pumping Using Affinity Laws

Photovoltaic (PV) power is most commonly used for water pumping applications. The DC output voltage of PV arrays is connected to a DC-DC converter using a maximum power point tracking (MPPT) controller to maximize their produced energy. Then, that converter is linked to a voltage source inverter (VSI) that converts DC power to AC power. Vector control is used to control the VSI fed three phase induction motor driving the water pump. The Affinity laws are used to change the pump characteristics by changing the pump speed, and consequently, the pump flow rate, head, and power will be varied. In this paper, the Affinity laws are adapted to achieve the pump hydraulic requirements while the power delivered to the pump motor remains unchanged by constructing new pump curves. A Matlab/Simulink model of the PV pumping system is observed over a wide range of weather and loading conditions.

Self-Consistent Calculations on the Atomic Electron Affinity and Ionization Energy with Taking Effects of the Nonspherical Distribution of Electrons into Account

We perform the self-consistent calculations on the atomic electron affinity and ionization energy for the first-row atoms by means of our scheme. A striking feature of the present work is the variational method with taking into account effects of the nonspherical distribution of electrons explicitly. Comparing the present results with those of the conventional spherical approximation, the systematical improvement can be found. This means that effects of the nonspherical distribution of electrons may play an essential role on the description of the atomic structures.

Chemical Affinity and the Density of Energy Levels

It is shown that the state of chemical equilibrium of a closed system corresponds to the minimum density of its energy levels.

Improved Recovery of Erythropoietin and Darbepoetin from Equine Plasma by the Application of a Wheat Germ Agglutinin Mediated Pre-Extraction Prior to Immunoaffinity Chromatography

We describe a two-step method that uses wheat germ agglutinin immobilized on Sepharose gel followed by immunoaffinity chromatography (IAC) to extract recombinant human erythropoietin and Darbepoetin from equine plasma. Lectin affinity chromatography was shown to be an effective approach for isolating these epoetins from plasma and in combination with IAC;this method gave superior recovery when compared to the use of the latter technique alone. Moreover, due to the ease with which it can be scaled up, it is particularly well suited for pre-concentrating larger volumes of samples prior to IAC and this provides a facile way of improving the overall sensitivity with which these foreign proteins can be detected in equine plasma.

Molecular Docking of Selective Binding Affinity of Sulfonamide Derivatives as Potential Antimalarial Agents Targeting the Glycolytic Enzymes: GAPDH, Aldolase and TPI

The parasite Plasmodium falciparum is responsible for the major world scourge malaria, a disease that affects 3.3 billion people worldwide. The development of new drugs is critical because of the diminished effectiveness of current antimalarial agents mainly due to parasitic resistance, side effects and cost. Molecular docking was used to explore structural motifs responsible for the interactions between triose phosphate isomerase (TPI), glyceraldehyde-3-phosphate dehydrogenase (GAPDH) and aldolase (ALD) from human and Plasmodium cells with 8 novel sufonylamide derivatives. All the ligands modeled, interact with all three enzymes in the micromolar range. The top ligand (sulfaE) shows a 70-fold increase in selective binding to pfTPI compared to hTPI (dissociation constant-KI of 7.83 μM and 0.177 μM for hTPI and pfTPI respectively), on par with antimalarial drug chloroquine.ALD and GAPDH form complexes with similar binding sites, comprising amino acids of similar chemical properties and polarities. Human TPI and pfTPI bind sulfonamide derivatives using two distinct binding sites and residues. Key residues at the dimer interface of pfTPI (VAL44, SER45, TYR48, GLN64, ASN65, VAL78) form a tight pocket with favorable polar contacts. The affinity with TPI is the most specific, stable, and selective suggesting pfTPI is a candidate for development of antimalarial drugs.

A Study of Lectin Affinity Differences Between Sensory Neurons and Autonomic Neurons

It has been reported that the different kinds of lectins selectively combined witch various types of neurons in spinal ganglia and that thiamine monophosphatase(TMPase)are characteristic enzymes of medium and small size neurons in the spinal ganglia,but so far,no observations and comparisons have been made in ganglia of different natures.

On the Accuracy of the Complete Basis Set Extrapolation for Anionic Systems: A Case Study of the Electron Affinity of Methane

Recent experimental evidence suggests again the existence of the metastable methane anion in plasma swarms. In order to test the reliability of the complete basis set (CBS) extrapolation scheme with augmented correlation-consistent basis sets for anionic molecules, we study the evolution of the electron affinity of methane with benchmark ab initio calculations with aug-cc basis sets up to aug-cc-pV6Z + diffuse. Geometry optimizations and vibrational analysis were done at the MP2 level. The electron affinity (EA) was calculated at the MP2 and CCSD(T) levels with and without frozen core and including the extrapolations to the CBS limit. Using the aug-cc-pVnZ basis sets it is found that two non-decreasing CCSD(T) CBS limits exist for the EA (0.29 and 0.53 eV) obtained with the n = 3, 4, 5 and n = 4, 5, 6 series, respectively. A new scheme is proposed which can be generalized for very accurate quantum chemical description of molecular anions: the standard aug-cc-pVnZ basis sets can be supplemented with extra-diffuse orbitals using a simple even-tempered scheme. This yields a reliable CBS extrapolation method to develop a (discrete approximation of a) continuum anionic state near ionization, viz., one that closely matches the energy of the corresponding neutral state. These results show that CH4 has no stable anions of 2A1 symmetry, implying that plasma swarms with anionic methane consist of metastable rather than stable methane anions.

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。

Semi-supervised Affinity Propagation Clustering Based on Subtractive Clustering for Large-Scale Data Sets

In the face of a growing number of large-scale data sets, affinity propagation clustering algorithm to calculate the process required to build the similarity matrix, will bring huge storage and computation. Therefore, this paper proposes an improved affinity propagation clustering algorithm. First, add the subtraction clustering, using the density value of the data points to obtain the point of initial clusters. Then, calculate the similarity distance between the initial cluster points, and reference the idea of semi-supervised clustering, adding pairs restriction information, structure sparse similarity matrix. Finally, the cluster representative points conduct AP clustering until a suitable cluster division.Experimental results show that the algorithm allows the calculation is greatly reduced, the similarity matrix storage capacity is also reduced, and better than the original algorithm on the clustering effect and processing speed.

Using of <i>In-Situ</i>Mercury Film Sensor Hyphenated with Affinity Voltammetry for High Throughput Drug-Protein Binding Studies

A new simple and reliable in-situ mercury film sensor coupled with affinity differential pulse stripping voltammetry (ADSPV) or affinity cyclic voltammetry (ACV) was investigated. The interaction of fenoprofen with bovine serum albumin (BSA) onto the proposed electrochemical sensor was studied. The nature of the electrochemical process of fenoprofen by cyclic voltammetry was depicted. Reproducibility of the proposed method was checked giving a precision of 0.073 standard deviation. The limit of detection and limit of quantification were 7.0 and 22.0 nmol/L, respectively. Fenoprofen was interacted with BSA by 1:1 stoichiometry to form electroinactive supramolecular complex. The binding constant was precisely estimated by non-linear regression analysis based on the shifting of analyte peak potentials. The proposed experiments and data analysis could be used to investigate the drug-protein binding constant within a short analysis time compared to other chromatographic techniques.

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.

Isolation and cloning of the gene encoding high affinity phosphate transporter in rice

High affinity phosphate transporterplays an important role in plantadapting to low phosphorus. Isolationof genes coding this kind of proteinhas attracted worldwide scholars toaccomplish. We aimed to isolate thegene and transfer it to target plants

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.

Binding specificity and affinity analysis of an anti-protective antigen peptide reagent using capillary electrophoresis

Peptide biosensor reagents are emerging as an alternative to typical antibody-based detection methods. Peptides can be rapidly isolated using bacterial display methods for new and emerging biothreats and can be chemically synthesized for rapid, large-scale production. With the emergence of peptide biosensor reagents, there is a growing need to develop methods for characterizing binding interactions. Capillary electrophoresis (CE) is a free-solution separation method that is able to determine target and analyte binding association (Kb) and dissociation constants (Kd). In this study, the Kb, Kd, and peptide specificity of an isolated peptide binding reagent to protective antigen (PA) of Bacillus anthracis were evaluated using capillary electrophoresis at 10 and 20 kV. The relative binding specificity was rapidly assessed by measuring the peptide relative mobility shift at 20 kV at nonequilibrium using bovine serum albumin (BSA), horseradish peroxidase (HRP), and an anti-PA monoclonal antibody (mAb). The αPA peptide was shown to be highly specific for PA, with a Kd = 177 nM measured at 20 kV and Kd = 312 nM measured at 10 kV. These results show that peptides from bacterial display libraries can be rapidly tested for specificity and binding affinity, in solution, for use as a potential biosensor reagent against new and emerging biothreats.

Theory of affinity maturation of antibodies

Based on the theory of long distance interaction between antibodies and antigens we developed a theory of affinity maturation of antibodies that is based on longitudinale electric waves. Early stage antibodies show a wide frequency spectrum for antigens and are polyspecific. After affinity maturation the antibody shows a very narrow band spectrum, the antibodies become monospecific. The feedback between antibody and antibody producing cell is done via messenger molecules that are also communicating with help of longitudinal electric waves. These messenger molecules transfer information from antibody arms and are informing cells whether the epitopes are switched on or off. The folding of antibody is done via eigen frequency resonances.

CELLULOSE MEMBRANE USED AS STATIONARY PHASE OF MEMBRANE AFFINITY CHROMATOGRAPHY

Cellulose membrane was used as Stahonary phase Of affinity chromeqraphy. A ￣ for theprepeboon Of microPOre cellulose membone born cellulose balm is describ6d. Terne dyeS,Cibacron BIne F3GA and cave Red KZBP were immobilbe as amnty figeds. UP tO IO0 mgCibacron BIne F3G^ can be coupled ontO 1 g merebrane mainx. A membene cadridge cocainingblue affinty membranes was also Prepared. The flux of the cadridge was much superior to that Ofcolumn PaCked ed agarose as sepadsn odium. On this cable, the Chromatography ofhuman seam albumin was performed.

Aspect一体化联络中心助力Affinity俱乐部

呼叫中心专业提供商Aspect Software公司目前宣布，美国最大的户外娱乐俱乐部、媒体和活动服务商Affinity集团通过使用Aspect Software联络中心解决方案显著提高了呼叫处理能力和会员客户体验。Affinity公司在其客户联络中心应用了Aspect Unified IP联络中心平台和PerformanceEdge workforce management（排班管理）功能组件。在全球范围内，Aspect的联络中心解决方案每天都在处理成千上万家企业总量超过1．25亿笔的客户交易，其中既有企业内部的联络中心，也有外包式的联络中心。

基于SIFT和Affinity Propagation的遥感图像配准算法

随着传感器和光学影像测量等各种技术的快速发展,航空遥感技术已经在电力巡检、森林防火、地理测绘等领域中发挥着越来越重要的作用,而图像配准作为遥感图像的预处理步骤为图像融合等后续处理提供了参考和依据,目前已经成为遥感图像处理领域的研究热点。文中提出了一种基于尺度不变特征变换(Scale-invariant Feature Transform,SIFT)和仿射传播聚类(Affinity Propagation,AP)的图像配准算法。该算法与原有算法相比优势在于无需预先设定参数,并且实验仿真表明该算法能有效地对多源图像进行高精度的配准,与随机抽样一致算法(Random Sample Consensus,RANSAC)相比提高了正确匹配点的数目。

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。