民用船舶数据库管理系统

对民用船舶信息的管理是一项重要的工作,实现船舶信息管理的电子化,既减轻了管理人员的负担,又可以避免由于误操作而引起的错误。因此,对民用船舶数据库管理系统的开发和功能加以介绍,有助于其推广应用。     

Crystal structures of four δ‐keto esters and a Cambridge Structural Database analysis of cyano–halogen interactions

The revived interest in halogen bonding as a tool in pharmaceutical cocrystals and drug design has indicated that cyano–halogen interactions could play an important role. The crystal structures of four closely related δ‐keto esters, which differ only in the substitution at a single C atom (by H, OMe, Cl and Br), are compared, namely ethyl 2‐cyano‐5‐oxo‐5‐phenyl‐3‐(piperidin‐1‐yl)pent‐2‐enoate, C₁₉H₂₂N₂O₃, (1), ethyl 2‐cyano‐5‐(4‐methoxyphenyl)‐5‐oxo‐3‐(piperidin‐1‐yl)pent‐2‐enoate, C₂₀H₂₄N₂O₄, (2), ethyl 5‐(4‐chlorophenyl)‐2‐cyano‐5‐oxo‐3‐(piperidin‐1‐yl)pent‐2‐enoate, C₁₉H₂₁ClN₂O₃, (3), and the previously published ethyl 5‐(4‐bromophenyl)‐2‐cyano‐5‐oxo‐3‐(piperidin‐1‐yl)pent‐2‐enoate, C₁₉H₂₁BrN₂O₃, (4) [Maurya, Vasudev & Gupta (2013). RSC Adv. 3 , 12955–12962]. The molecular conformations are very similar, while there are differences in the molecular assemblies. Intermolecular C—H...O hydrogen bonds are found to be the primary interactions in the crystal packing and are present in all four structures. The halogenated derivatives have additional aromatic–aromatic interactions and cyano–halogen interactions, further stabilizing the molecular packing. A database analysis of cyano–halogen interactions using the Cambridge Structural Database [CSD; Groom & Allen (2014). Angew. Chem. Int. Ed. 53 , 662–671] revealed that about 13% of the organic molecular crystals containing both cyano and halogen groups have cyano–halogen interactions in their packing. Three geometric parameters for the C—X...N[triple‐bond]C interaction (X = F, Cl, Br or I), viz. the N...X distance and the C—X...N and C—N...X angles, were analysed. The results indicate that all the short cyano–halogen contacts in the CSD can be classified as halogen bonds, which are directional noncovalent interactions.     

High resolution mass spectrometry based profiling of diet-related deoxyribonucleic acid adducts

Exposure of DNA to endo- and exogenous DNA binding chemicals can result in the formation of DNA adducts and is believed to be the first step in chemically induced carcinogenesis. DNA adductomics is a relatively new field of research which studies the formation of known and unknown DNA adducts in DNA due to exposure to genotoxic chemicals. In this study, a new UHPLC-HRMS(/MS)-based DNA adduct detection method was developed and validated. Four targeted DNA adducts, which all have been linked to dietary genotoxicity, were included in the described method; O⁶-methylguanine (O⁶-MeG), O⁶-carboxymethylguanine (O⁶-CMG), pyrimidopurinone (M1G) and methylhydroxypropanoguanine (CroG). As a supplementary tool for DNA adductomics, a DNA adduct database, which currently contains 123 different diet-related DNA adducts, was constructed. By means of the newly developed method and database, all 4 targeted DNA adducts and 32 untargeted DNA adducts could be detected in different DNA samples. The obtained results clearly demonstrate the merit of the described method for both targeted and untargeted DNA adduct detection in vitro and in vivo, whilst the diet-related DNA adduct database can distinctly facilitate data interpretation.     

色谱柱分类数据库用于指导天然药物化学对照品色谱纯度测定时色谱柱理性选择

由于中药化学对照品多数来源于动植物药材,很容易混有结构类似物,故有机杂质测定是可能影响其化学对照品赋值准确性的关键风险因素。中药化学对照品的有机杂质测定通常采用药典收载或文献报道的高效液相色谱法,这些方法通常仅规定“以十八烷基硅烷键合硅胶为填充剂”,无适宜色谱柱的品牌信息,或者实验室无文献所用的色谱柱品牌,而目前市场上已有800多种品牌的C₁₈柱,生产工艺的不同导致不同品牌C₁₈柱的选择性有差异,甚至差异显著。这很容易出现由于色谱柱选择不适宜而导致测定结果不准确的风险。该文采用国外色谱柱分类数据库指导对照品纯度考察时色谱柱的理性选择,尽可能减少色谱柱盲选可能导致的纯度结果不准确的风险。首先,用数据库挑选2根选择性差异显著的色谱柱（选择性因子F≥6）进行平行实验,以尽可能反映采用不同品牌色谱柱可能出现的分离效果差异。如果这2根色谱柱的分离效果及纯度测定结果无显著性差异,则可以交叉验证该对照品纯度测定的准确性。否则需要从数据库中选择另外1根与之前试验中分离效果更好、选择性相似的色谱柱进行纯度结果验证。在N-反式-p-对香豆酰基酪胺和表儿茶素没食子酸酯首批对照品的纯度考察中,使用了上述策略并验证了其有效性和科学性,计划推广应用至更多的中药化学对照品,特别当其可能含碱性或弱酸性化合物时,更应该尝试采用本文推荐的色谱柱选择策略交叉验证其纯度测定结果的准确性。     

物联网环境下的差异网络数据库异常数据检测

当前的物联网环境下,各个智能网络的数据库的使用没有统一标准,不同生产商的数据库中的异常数据标准也不同,这就使得传统的以模式识别为基础的网络数据库异常检测方法在进行异常阀值设置时,无法形成统一标准,数据库数据量庞大且存在无序性,无法保证检测的准确性和检测效率。提出基于混沌特征分析算法的物联网环境下的差异网络数据库异常数据检测方法。依据混沌特征分析相关理论构建物联网环境下的差异网络数据库模型,构建一种异常数据的偏差函数,对不同数据库下的异常数据进行偏差统计,通过对偏差函数的统计结果进行最小值求解,根据求解描述最小化的阀值请求,实现物联网环境下的差异网络数据库异常数据的检测。实验结果表明,利用改进算法进行异常数据检测,能够提高检测的有效性与准确性。     

Research on Inference of Candidate Database Web Surveys Based on Superpopulation Pseudo Design and the Combined Sample

How to solve the inference problem of candidate database web surveys is an urgent problem to be solved in the development of web survey. In order to solve this problem, the inference method of non-probability sampling based on superpopulation pseudo design and the combined sample is proposed. A superpopulation model is firstly built up to construct pseudo weights for a survey sample of the web candidate database. The estimator of the population mean is then computed according to the combined sample composed of the survey sample of the web candidate database and a probability sample. The variance estimator of the population mean estimator is lastly derived according to the variance estimation theory of the superpopulation model. The Bootstrap and Jackknife methods are also used to compute the variance estimator. And all these variance estimation methods are compared. The research results show that the population mean estimator based on superpopulation pseudo design and the combined sample is better, and has higher efficiency than the estimator only using the probability sample and the weighted estimator only using the survey sample of the web candidate database. The variance estimator computed by using the VM1, VM2 and VM3 method are relatively better.     

Parallel local search

We present a survey of parallel local search algorithms in which we review the concepts that can be used to incorporate parallelism into local search. For this purpose we distinguish between single-walk and multiple-walk parallel local search and between asynchronous and synchronous parallelism. Within the class of single-walk algorithms we differentiate between multiple-step and single-step parallelism. To describe parallel local search we introduce the concepts of hyper neighborhood structures and distributed neighborhood structures. Furthermore, we present templates that capture most of the parallel local search algorithms proposed in the literature. Finally, we discuss some complexity issues related to parallel local search.     

抽样调查的设计与分析(Ⅰ)

本文讨论抽样调查实践中有关设计和数据分析的若干问题．第一部分主要涉及设计问题．     

Public Attitudes Toward Nanotechnology

Data from 3909 respondents to an Internet survey questionnaire provide the first insights into public perceptions of nanotechnology. Quantitative analysis of statistics about agreement and disagreement with two statements, one positive and the other negative, reveals high levels of enthusiasm for the potential benefits of nanotechnology and little concern about possible dangers. The respondents mentally connect nanotechnology with the space program, nuclear power, and cloning research, but rate it more favorably. In contrast, they do not associate nanotechnology with pseudoscience, despite its imaginative exploitation by science fiction writers. Qualitative analysis of written comments from 598 respondents indicates that many ideas about the value of nanotechnology have entered popular culture, and it provides material for an additional 108 questionnaire items that can be used in future surveys on the topic. The findings of this exploratory study can serve as benchmarks against which to compare results of future research on the evolving status of nanotechnology in society.     

建立省级基础地理信息数据库管理系统初探

建立省级基础地理信息数据库,必然要设计和开发基础地理信息数据库管理系统,并解决大数据量、多种类型空间数据的集成管理问题.介绍和讨论最近完成的浙江省基础地理信息数据库(1:10 000示范库)管理系统中诸如系统总体框架、系统功能、空间数据库结构、海量多源数据组织、空间索引建立等有关技术问题.试验结果确定了比较合适的空间索引数据,从而获得了对海量数据较好的访问性能,示范库的建设工作达到了预期的目的.