Rhenium complex-catalyzed coupling reaction of enol acetates with alcohols

The reaction of enol acetates with alcohols in the presence of a catalytic amount of a rhenium complex, such as ReBr(CO)₅, produced the corresponding ketones and aldehydes in moderate to good yields. It was suggested that the preparation of an ether, an intermolecular dehydrated product, was the first step of the reaction.     

Cellulose filter paper immobilized α-glucosidase and its application to screening inhibitors from traditional Chinese medicine

In this study, α-glucosidase was successfully immobilized on cellulose filter paper and further applied to screening inhibitors from traditional Chinese medicines combined with capillary electrophoresis analysis. For α-glucosidase immobilization, a cellulose filter paper was used as the carrier and grafted with amino groups by coating chitosan, then α-glucosidase was covalently bonded on the amino-modified carrier via epoxy ring-opening reaction using polyethylene glycol diglycidyl ether as the crosslinker. Several parameters influencing the enzyme immobilization were optimized and the optimal values were enzyme concentration of 4 U/mL, polyethylene glycol diglycidyl ether concentration of 1.25%, chitosan concentration of 7.5 mg/mL, immobilization pH 7.0, crosslinking time of 4 h and immobilization time of 2 h. The immobilized α-glucosidase exhibited good batch-to-batch reproducibility (RSD = 2.1%, n = 5), excellent storage stability (73.5% of its initial activity after being stored at 4°C for 15 days), and reusability (75% of its initial activity after 10 repeated cycles). The Michaelis constant of immobilized α-glucosidase and half-maximal inhibitory concentration of acarbose were calculated to be 1.12 mM and 0.38 μM, respectively. Finally, the immobilized α-glucosidase was used for screening inhibitors from 14 kinds of Traditional Chinese Medicine extracts, and Sanguisorbae Radix showed the strongest inhibitory effect on α-glucosidase.     

基于功率谱包络能量和SVM的舰用发动机故障诊断

发动机是军舰上的重要部件之一,其稳定性对军舰的正常航行具有重要影响。以舰用发动机关键部件(主泵轴承)为具体研究对象,提出了基于功率谱包络能量和支持向量机相结合的故障诊断方法。首先获取了大量可表征舰用发动机主泵轴承健康状态的振动加速度信息,对其进行功率谱分析,获得其功率谱的包络能量;以获取的舰用发动机主泵轴承功率谱的包络能量构建特征向量,并设计基于SVM的舰用发动机主泵轴承故障诊断模型,对主泵轴承的故障进行诊断研究。研究结果表明,采用基于功率谱包络能量和SVM相结合的舰用发动机关键部件故障诊断方法,可以很好实现主泵轴承的故障诊断效能,为舰用发动机主泵轴承故障诊断的工程应用奠定了基础。     

Intelligence Way from Eco-friendly Synthesis Strategy of New Heterocyclic Pyrazolic Carboxylic α-Amino Esters

The α-amino acid derivatives constitute a class of compounds of particular medicinal and synthetic attention and considerable interest has been devoted to their synthesis in recent years. In the present work, we develop the computational study of the synthesis reaction of new pyrazolyl α-amino esters derivatives using the Gaussian 09 based on the DFT/B3LYP density functional theory method, with the base 6-31G(d, p) to ensure the possibility of carrying out these reactions within the laboratory of synthesis. Indeed, this research has encouraged us to establish an economical synthesis strategy of these products in overall yields of 73.5% to 87% to have access to new active biomolecule through the O-alkylation reaction between methyl α-azidoglycinate N-benzoylated and primary pyrazole alcohols[(3,5-dimethyl-1H-pyrazol-1-yl)methanol, (1H-pyrazol-1-yl)methanol and (3-ethoxy-5-methyl-1H-pyrazol-1-yl)methanol] under different operating conditions. The structure of the prepared heterocyclic systems was characterized by conventional spectroscopic techniques, like ¹H NMR, ¹³C NMR, and MS. The results revealed that the experimental study is in good correlation with the computational one.     

A graph-based multi-sample test for identifying pathways associated with cancer progression

Cancer is in general not a result of an abnormality of a single gene but a consequence of changes in many genes, it is therefore of great importance to understand the roles of different oncogenic and tumor suppressor pathways in tumorigenesis. In recent years, there have been many computational models developed to study the genetic alterations of different pathways in the evolutionary process of cancer. However, most of the methods are knowledge-based enrichment analyses and inflexible to analyze user-defined pathways or gene sets. In this paper, we develop a nonparametric and data-driven approach to testing for the dynamic changes of pathways over the cancer progression. Our method is based on an expansion and refinement of the pathway being studied, followed by a graph-based multivariate test, which is very easy to implement in practice. The new test is applied to the rich Cancer Genome Atlas data to study the (epi)genetic alterations of 186 KEGG pathways in the development of serous ovarian cancer. To make use of the comprehensive data, we incorporate three data types in the analysis representing gene expression level, copy number and DNA methylation level. Our analysis suggests a list of nine pathways that are closely associated with serous ovarian cancer progression, including cell cycle, ERBB, JAK-STAT signaling and p53 signaling pathways. By pairwise tests, we found that most of the identified pathways contribute only to a particular transition step. For instance, the cell cycle and ERBB pathways play key roles in the early-stage transition, while the ECM receptor and apoptosis pathways contribute to the progression from stage III to stage IV. The proposed computational pipeline is powerful in detecting important pathways and gene sets that drive cancers at certain stage(s). It offers new insights into the understanding of molecular mechanism of cancer initiation and progression.     

银盐干板的皱缩控制及其在彩色反射全息上的应用

分析了影响全息干板银盐乳胶在处理过程中收缩的几个因素,并通过实验,找出了在拍摄及处理体积反射全息图过程中,曝光量、漂白液温度及脱水的方式对乳胶收缩影响的规律.在此基础上提出控制乳胶的收缩,即控制反射全息图衍射波长的方法,从而达到彩色反射全息图的实现.实验结果表明该方法做出的全息图效果良好.     

氮化铝薄膜的光学性能

分别使用X衍射仪和紫外（190 nm～800 nm）分光光度仪,测量了用分子束外延法生长在SiC（001）基底面上的AIN薄膜的X衍射、透射谱和不同温度下的吸收谱.X衍射表明:实验所用的AIN薄膜在c-轴存在应变和应力,该应变和应力主要是由于AIN的晶格常量与基底SiC的晶格常量不匹配所致.透射谱表明:AIN薄膜的禁带宽度大约为6.2eV;而其对应的吸收谱在6.2eV处存在一个明显的台阶,此台阶被认为是AIN薄膜中的带边自由激子吸收所产生,忽略激子的结合能(与禁带宽度相比),则该值就对应为AIN的禁带宽度.而其对应的不同温度下（10 k～293 k）的吸收谱的谱线的形状和位置无明显的变化表明:温度对AIN薄膜的禁带宽度亦无明显的影响,这主要是由于在AIN薄膜中存在着应力所致.     

基于队列式缓存结构的视频图像存储算法

针对视频图像数据实时存储过程中普遍存在的丢帧问题,通过深入分析典型的存储算法,找出实时存储过程中视频图像数据丢失的原因：计算机在连续存储相同大小的文件时,存储速度在一定的范围内波动.本文采用队列式缓存结构有效地消除了存储速度波动所带来的影响,保证了在数据流速小于磁盘平均存储速度的前提下,高速视频图像数据的实时存储,解决了丢帧问题.实践验证了该算法的可行性与可靠性.     

新疆两处遗址出土绿松石文物的成分分析和产源判别

绿松石是一种产地有限,却在世界范围内被广泛使用的珍稀宝石资源,研究绿松石文物的矿料来源可为了解古代不同地区间珍稀资源的获取与交流模式、文化传播途径、早期贸易网络等学术问题提供帮助。新疆绿松石文物的矿料来源是近年来科技考古关注的热点问题之一,目前存在中原说、波斯说、新疆说和多元说等观点。研究新疆绿松石文物的产源,其难点在于既要保证文物的安全,又要确保分析数据的准确性,同时要避免样品表面污染对数据结果带来的干扰。鉴于此,采用等离子体原子发射光谱LA-ICP-AES对新疆加依、西沟两处墓地出土的绿松石进行化学成分分析,并结合秦岭东部五处产地的绿松石成分数据,经主成分分析绘制散点图——建立产地区分模型。主成分分析结果显示加依墓地样品中有五枚是罕见的锌绿松石,其余同西沟墓地绿松石的成分相近,均含有相对较高比例的Fe和Sr。结合中原地区的绿松石成分数据对比分析,发现新疆两遗址绿松石的微量元素特征相近,以高B2O低BaO为特征区别于中原地区的绿松石样品。在产地区分模型中,代表加依墓地和西沟墓地出土绿松石的散点聚集成团,且明显区分于白河、郧县、洛南、竹山、淅川五地的散点分布区域。综上结果表明新疆东部两处遗址的绿松石制品与中原东秦岭五处绿松石矿区所产矿料的成分差异较大,鉴于近年来新疆哈密发现与两处遗址同时代的绿松石采矿遗址,推测加依墓地、西沟墓地的绿松石制品其矿料来自中原地区的可能性较小。