基于氢键的阴离子比色探针的合成和性质研究

以5-溴水杨醛和4-苯基-3-氨基硫脲合成了一种新型希夫碱类阴离子比色探针,研究了该探针对常见阴离子的比色响应特性。结果表明,在DMSO体系中加入氟离子、乙酸根离子和磷酸二氢根离子后,探针的最大吸波长从352 nm红移到398 nm,肉眼可观察到溶液的颜色从淡黄色变成了黄色,而其它的阴离子如氯离子、溴离子和碘离子的加入基本不引起溶液紫外-可见吸收波长的任何变化。因此,这种探针可以用来识别氟离子、乙酸根离子和磷酸二氢根离子。     

异斯特维醇衍生物的应用研究进展

异斯特维醇是由天然产物甜菊糖苷经酸解得到,其衍生物在生物活性方面的应用研究较多。本文对异斯特维醇衍生物在生物活性、催化剂、分子识别和超分子组装等领域的应用进行了综述。     

In Vitro Selection of a Single-Stranded DNA Molecular Recognition Element against Atrazine

Widespread use of the chlorotriazine herbicide, atrazine, has led to serious environmental and human health consequences. Current methods of detecting atrazine contamination are neither rapid nor cost-effective. In this work, atrazine-specific single-stranded DNA (ssDNA) molecular recognition elements (MRE) were isolated. We utilized a stringent Systematic Evolution of Ligands by Exponential Enrichment (SELEX) methodology that placed the greatest emphasis on what the MRE should not bind to. After twelve rounds of SELEX, an atrazine-specific MRE with high affinity was obtained. The equilibrium dissociation constant (K_d) of the ssDNA sequence is 0.62 ± 0.21 nM. It also has significant selectivity for atrazine over atrazine metabolites and other pesticides found in environmentally similar locations and concentrations. Furthermore, we have detected environmentally relevant atrazine concentrations in river water using this MRE. The strong affinity and selectivity of the selected atrazine-specific ssDNA validated the stringent SELEX methodology and identified a MRE that will be useful for rapid atrazine detection in environmental samples.     

Making the Bend: DNA Tertiary Structure and Protein-DNA Interactions

DNA structure functions as an overlapping code to the DNA sequence. Rapid progress in understanding the role of DNA structure in gene regulation, DNA damage recognition and genome stability has been made. The three dimensional structure of both proteins and DNA plays a crucial role for their specific interaction, and proteins can recognise the chemical signature of DNA sequence (“base readout”) as well as the intrinsic DNA structure (“shape recognition”). These recognition mechanisms do not exist in isolation but, depending on the individual interaction partners, are combined to various extents. Driving force for the interaction between protein and DNA remain the unique thermodynamics of each individual DNA-protein pair. In this review we focus on the structures and conformations adopted by DNA, both influenced by and influencing the specific interaction with the corresponding protein binding partner, as well as their underlying thermodynamics.     

Base Flip in DNA Studied by Molecular Dynamics Simulations of Differently-Oxidized Forms of Methyl-Cytosine

Distortions in the DNA sequence, such as damage or mispairs, are specifically recognized and processed by DNA repair enzymes. Many repair proteins and, in particular, glycosylases flip the target base out of the DNA helix into the enzyme’s active site. Our molecular dynamics simulations of DNA with intact and damaged (oxidized) methyl-cytosine show that the probability of being flipped is similar for damaged and intact methyl-cytosine. However, the accessibility of the different 5-methyl groups allows direct discrimination of the oxidized forms. Hydrogen-bonded patterns that vary between methyl-cytosine forms carrying a carbonyl oxygen atom are likely to be detected by the repair enzymes and may thus help target site recognition.     

High‐Affinity Carbohydrate Binding by Trimeric Benzoboroxoles Measured on Carbohydrate Arrays

Carbohydrates are involved in a wide range of biological processes of pharmaceutical relevance. The selective recognition of carbohydrates is therefore of great interest in biology and medicine. In this study we present the synthesis of fluorescent multimeric benzoboroxoles and the analysis of multivalent binding processes to immobilized carbohydrate arrays by fluorescence spectroscopy. We observed high binding affinities of trimeric benzoboroxoles by determination of K_Dsurf values for their interaction with α‐Gal on glass chips. The observed K_Dsurf values were in the mid‐nM range (49 and 104 nM ) and are comparable to the K_Dsurf values for binding of natural lectins, such as that of ConA to immobilized α‐Man (79 nM ). The array technology was found to be an excellent tool for studying the binding processes of multivalent lectin mimetics with respect to profiling and quantitation.     

Modeling the Interaction between Dendrimers and Nucleic Acids: a Molecular Perspective through Hierarchical Scales

Cationic dendrimers are promising nanocarriers for gene delivery thanks to their ability to establish strong interactions with oppositely charged strands of DNA and siRNA and to promote their aggregation. The binding between dendrimers and nucleic acids is typically a complex process that involves various types of interactions at different scales. To design efficient dendrimer candidates for DNA and siRNA binding it is necessary to have a detailed understanding of their interactions with oligonucleotides in the solvent. Molecular simulation can support experimental work, providing a privileged point of view on the aggregation process. This Minireview discusses recent computational efforts to unravel dendrimer–oligonucleotide binding, and proposes a perspective of the multiscale aggregation process based on hierarchy and on the transformations of the interacting “molecular units” following intermolecular interactions.     

基于尺度不变特征变换的车牌特征提取及BBF匹配方法

针对传统车牌特征提取及匹配不足,提出了基于尺度不变特征变换（Scale invariant feature transform, SIFT）的车牌特征提取及 (Best Bin First,BBF)匹配方法。通过构建车牌字符标准模板,采用SIFT算法提取标准模板和待检测车牌中每个字符的SIFT特征向量,主要包括车牌高斯差分(Difference of Gauss, DoG)空间极值点检测,去除边缘相应点和低对比点,确定特征向量的方向和生成车牌特征向量。利用BBF(Best Bin First )算法完成标准模板特征向量与待检测车牌特征向量匹配,并获取识别结果。最后给出实验分析,证明该算法的识别率。     

信息理解的推理与知识语义结构

主要讨论信息理解的推理形式和机制、规则知识的语义结构以及新知识产生过程；建立了再认推理的记忆矩阵、语义真值及信度的计算规则．