The synthesis of N-derivatives of 3-aminoperylene and their absorption and fluorescence properties

N-Acetyl and N-triazinyl 3-aminoperylenes were prepared. N-(4,6-Dichloro-1,3,5-triazin-2-yl)-3-aminoperylene was synthesized by the condensation of 3-aminoperylene with cyanuric chloride; other N-triazinyl derivatives were prepared by the successive substitution of chlorine atoms with methoxy or aniline groups. The structure and purity of the compounds were confirmed by elemental analysis, NMR spectroscopy and mass spectrometry. The UV/vis absorption, fluorescence and excitation spectra as well as the fluorescence quantum yields for the compounds were measured in dibutyl ether, 1,4-dioxane, ethyl acetate and acetonitrile; fluorescence lifetimes were measured in ethyl acetate and dimethyl sulfoxide. The influences of both the character of the N-substituent and the solvent polarity upon the spectra and quantum yields are discussed.     

Finding best algorithmic components for clustering microarray data

The analysis of microarray data is fundamental to microbiology. Although clustering has long been realized as central to the discovery of gene functions and disease diagnostic, researchers have found the construction of good algorithms a surprisingly difficult task. In this paper, we address this problem by using a component-based approach for clustering algorithm design, for class retrieval from microarray data. The idea is to break up existing algorithms into independent building blocks for typical sub-problems, which are in turn reassembled in new ways to generate yet unexplored methods. As a test, 432 algorithms were generated and evaluated on published microarray data sets. We found their top performers to be better than the original, component-providing ancestors and also competitive with a set of new algorithms recently proposed. Finally, we identified components that showed consistently good performance for clustering microarray data and that should be considered in further development of clustering algorithms.     

An assessment of in vivo failures of alumina ceramic total hip joint replacements

Several cases of alumina ceramic hip replacement failures are reviewed fractographically. Three main findings are illustrated. Firstly, there is evidence that surgeons can damage the femoral head bore surface during surgery. Secondly, three of the failures described are of extended neck designs which are weaker than those of normal or short length in axial laboratory testing. Under physiological loading, such geometry can lead to levering forces, inappropriate localized contact with the metallic stem and stress concentrations. Delayed failure can ensue, with a fracture pattern quite different from that seen in conventional uniaxial testing. Thirdly, while some failures show head bore surfaces which are clean apart from metallic witness marking, others show brown stains and white deposits suggesting poor conformal contact. We suspect either stems become damaged during surgery before mounting the head or entrapment of debris, pointing to handling care and cleanliness varying between hospitals.     

Detecting anomalous patterns in time-series data using sparse hierarchically parameterized transition matrices

Anomaly detection in time-series data is a relevant problem in many fields such as stochastic data analysis, quality assurance, and predictive modeling. Markov models are an effective tool for time-series data analysis. Previous approaches utilizing Markov models incorporate transition matrices (TMs) at varying dimensionalities and resolutions. Other analysis methods treat TMs as vectors for comparison using search algorithms such as the nearest neighbors comparison algorithm, or use TMs to calculate the probability of discrete subsets of time-series data. We propose an analysis method that treats the elements of a TM as random variables, parameterizing them hierarchically. This approach creates a metric for determining the “normalcy” of a TM generated from a subset of time-series data. The advantages of this novel approach are discussed in terms of computational efficiency, accuracy of anomaly detection, and robustness when analyzing sparse data. Unlike previous approaches, this algorithm is developed with the expectation of sparse TMs. Accounting for this sparseness significantly improves the detection accuracy of the proposed method. Detection rates in a variety of time-series data types range from (97 % TPR, 2.1 % FPR) to (100 % TPR, <0.1 % FPR) with very small sample sizes (20–40 samples) in data with sparse transition probability matrices.     

固体层状介质中的反射地震记录

反射信号和高速干扰的振幅和波形随着炮检距的增大而变化。反射系数随入射角的变化而变化;薄反射层或厚过渡层的反射系数,透射效应及波的类型的转换也都随着入射角的变化而变化;点源的几何发散也是随着炮检距的变化而变化。反射地震记录的这些复杂性是人所共知的,但是,我们在设计标准模型时通常忽略了这些因素。由大角度所产生的明显影响可在处理时切除,对保留的数据也总是假设波形不变并具有双曲线型的正常时差,在CDP叠加之前常常应用道间平衡和自动增益控制来部分地补偿炮检距对反射的影响。本文的目的是想说明炮检距各种影响的重要性,并且说明分析这些影响的方法。射线参数与截距时间即(p-τ)曲线,以及反射,透射和波型转换系数与射线参数曲线都有助于识别某一特定层状模型中起重要作用的因素。p-τ曲线实际上是由一组易于解释的椭圆累加而构成的。p-τ曲线上的截距时间及斜率表示,x-t图上的一个波至出现的位置。p-τ曲线的曲率与x-t曲线的几何发散度有关。由于射线参数对于任一射线路径来说是固定的,因此也就容易识别出哪些是产生多次波和转换横波的主要射线参数和界面组合。对每个有意义的同相轴制作合成地震记录,就更有利于对资料的分析和解释。对具有较大速度差的地层模型中的高速噪音和具有较小速度差的第三系碎屑岩模型中的信号分析结果,说明了炮检距影响的重要性。     

Lasioglossins: Three Novel Antimicrobial Peptides from the Venom of the Eusocial Bee Lasioglossum laticeps (Hymenoptera: Halictidae)

Three novel structurally related pentadecapeptides, named lasioglossins, were isolated from the venom of the eusocial bee Lasioglossum laticeps. Their primary sequences were established as H‐Val‐Asn‐Trp‐Lys‐Lys‐Val‐Leu‐Gly‐Lys‐Ile‐Ile‐Lys‐Val‐Ala‐Lys‐NH₂ (LL‐I), H‐Val‐Asn‐Trp‐Lys‐Lys‐Ile‐Leu‐Gly‐Lys‐Ile‐Ile‐Lys‐Val‐Ala‐Lys‐NH₂ (LL‐II) and H‐Val‐Asn‐Trp‐Lys‐Lys‐Ile‐Leu‐Gly‐Lys‐Ile‐Ile‐Lys‐Val‐Val‐Lys‐NH₂ (LL‐III). These lasioglossins exhibited potent antimicrobial activity against both Gram‐positive and Gram‐negative bacteria, low haemolytic and mast cell degranulation activity, and a potency to kill various cancer cells in vitro. The lasioglossin CD spectra were measured in the presence of trifluoroethanol and sodium dodecyl sulfate solution and indicated a high degree of α‐helical conformation. NMR spectroscopy, which was carried out in trifluoroethanol/water confirmed a curved α‐helical conformation with a concave hydrophobic and convex hydrophilic side. To understand the role of this bend on biological activity, we studied lasioglossin analogues in which the Gly in the centre of the molecule was replaced by other amino acid residues (Ala, Lys, Pro). The importance of the N‐terminal part of the molecule to the antimicrobial activity was revealed through truncation of five residues from both the N and C termini of the LL‐III peptide. C‐terminal deamidation of LL‐III resulted in a drop in antimicrobial activity, but esterification of the C terminus had no effect. Molecular modelling of LL‐III and the observed NOE contacts indicated the possible formation of a bifurcated H‐bond between hydrogen from the Lys15 CONH peptide bond and one H of the C‐terminal CONH₂ to the Ile11 oxygen atom. Such interactions cannot form with C‐terminal esterification.     

Complex fuzzy sets

The objective of this paper is to investigate the innovative concept of complex fuzzy sets. The novelty of the complex fuzzy set lies in the range of values its membership function may attain. In contrast to a traditional fuzzy membership function, this range is not limited to [0, 1], but extended to the unit circle in the complex plane. Thus, the complex fuzzy set provides a mathematical framework for describing membership in a set in terms of a complex number. The inherent difficulty in acquiring intuition for the concept of complex-valued membership presents a significant obstacle to the realization of its full potential. Consequently, a major part of this work is dedicated to a discussion of the intuitive interpretation of complex-valued grades of membership. Examples of possible applications, which demonstrate the new concept, include a complex fuzzy representation of solar activity (via measurements of the sunspot number), and a signal processing application. A comprehensive study of the mathematical properties of the complex fuzzy set is presented. Basic set theoretic operations on complex fuzzy sets, such as complex fuzzy complement, union, and intersection, are discussed at length. Two novel operations, namely set rotation and set reflection, are introduced. Complex fuzzy relations are also considered. Index Terms-Complex fuzzy intersection, complex fuzzy relations, complex fuzzy sets, complex fuzzy union, complex-valued grades of membership, fuzzy complex numbers     

Mechanical Properties and Dislocation Structure Evolution in Ti6Al7Nb Alloy Processed by High Pressure Torsion

Ultrafine-grained biocompatible Ti-6Al-7Nb alloy was produced by high pressure torsion (HPT). Lattice defects—vacancies and dislocations—investigated by positron annihilation spectroscopy, observations by scanning electron microscopy, and microhardness evaluation are linked to the strain imposed by different numbers of HPT revolutions and to the distance from the specimen center. Positron annihilation spectroscopy showed significant increase of dislocation density and concentration of vacancy clusters after ½ of the HPT revolution. Microhardness increases by 20 pct with increasing strain, but it is heterogenous due to duplex microstructure. The heterogeneity of the microhardness increases with increasing strain, suggesting that a heavily deformed and fragmented α + β lamellar microstructure is more hardened than primary alpha grains. The defect structure is homogenous after ½ HPT revolution, while the microhardness becomes homogenous after 3 HPT revolutions only.