茯苓菌核多糖的分离和结构分析

分别用０．９％ＮａＣｌ不溶液，热水，０．５ｍｏｌ／Ｌ ＮａＯＨ水溶液和８８％甲酸从新鲜茯苓菌核体中提取出５种多糖：ＰＣ１，ＰＣ２，ＰＣ２－Ａ，ＰＣ３和ＰＣ４．用ＩＲ，ＨＰＬＣ，ＧＣ，＾１ＨＮＭＲ和＾１３Ｃ ＮＭＲ等方法分析了它们的组成和结构。结果表明，ＰＣ１，ＰＣ２和ＰＣ２－Ａ由Ｄ－葡萄糖，Ｄ－木糖，Ｄ－甘露糖和Ｄ－半乳糖组成，ＰＣ１和ＰＣ２－Ａ含葡萄糖醛酸，其葡萄糖含量随提取过程的进行逐渐增加。     

R. B. Woodward,A Great Physical Organic Chemist

Robert Burns Woodward is considered one of the greatest synthetic organic chemists of our time, if not the greatest. This article presents evidence that Woodward was also one of the greatest physical organic chemists as well. Among Woodward and his collaborators' most important accomplishments in the field of physical organic chemistry are: the Woodward–Hoffmann rules; the derivation and use of structure–mechanism–reactivity relationships in his multifold structure determinations and total syntheses; the Woodward ultraviolet rules and the Octant Rule; and his early demonstration that synthetic organic chemistry can contribute to the synthesis of potential superconductors and thus, to material science. Copyright © 2014 John Wiley & Sons, Ltd.     

荧光光谱法检测中药茯苓中的异丙威

利用分子荧光光谱,对异丙威溶液用三维荧光方法进行检测,建立了用异丙威的256nm/290nm荧光峰进行检测的实验方法。结果表明,该方法在高浓度和低浓度都具有较好的稳定性,在9.75×10-3—4.875×10-2mg/mL范围内线性相关系数为0.9970;在1.95×10-5—1.95×10-4mg/mL范围内线性相关系数为0.9955;且具有重现性好,检出限低,方法快速等优点。     

A SELF-ADAPTIVE TECHNIQUE FOR A KIND OF NONLINEAR CONJUGATE GRADIENT METHODS

Conjugate gradient methods are a class of important methods for unconstrained optimization, especially when the dimension is large. In 2001, Dai and Liao have proposed a new conjugate condition, based on it two nonlinear conjugate gradient methods are constructed. With trust region idea, this paper gives a self-adaptive technique for the two methods. The numerical results show that this technique works well for the given nonlinear optimization test problems.     

Quaternionic Kähler reductions of Wolf spaces

The main purpose of the following article is to introduce a Lie theoretical approach to the problem of classifying pseudo quaternionic-Kähler (QK) reductions of the pseudo QK symmetric spaces, otherwise called generalized Wolf spaces.     

Quantification of Chemical Groups and Quantitative HPLC Fingerprint of Poria cocos (Schw.) Wolf

(1)Objective: In this study, a quantitative analysis of chemical groups (the triterpenoids, water-soluble polysaccharides, and acidic polysaccharides) and quantitative high liquid performance chromatography (HPLC) fingerprint of Poria cocos (Schw.) Wolf (PC) for quality control was developed. (2) Methodology: First, three main chemical groups, including triterpenoids, water-soluble polysaccharides, and acidic polysaccharides, in 16 batches of PC were evaluated by ultraviolet spectrophotometry. Afterward, the quantitative fingerprint of PC was established, and the alcohol extract of PC was further evaluated. The method involves establishing 16 batches of PC fingerprints by HPLC, evaluating the similarity of different batches of PC, and identifying eight bioactive components, including poricoic acid B (PAB), dehydrotumulosic acid (DTA), poricoic acid A (PAA), polyporenic acid C (PAC), 3-epidehydrotumulosic acid (EA), dehydropachymic acid (DPA), dehydrotrametenolic acid (DTA-1), and dehydroeburicoic acid (DEA), in PC by comparison with the reference substance. Combined with the quantitative analysis of multi-components by a single marker (QAMS), six bioactive ingredients, including PAB, DTA, PAC, EA, DPA, and DEA, in PC from different places were established. In addition, the multivariate statistical analyses, such as principal component analysis and heatmap hierarchical clustering analysis are more intuitive, and the visual analysis strategy was used to evaluate the content of bioactive components in 16 batches of PC. Finally, the analysis strategy of three main chemical groups in PC was combined with the quantitative fingerprint strategy, which reduced the error caused by the single method. (3) Results: The establishment of a method for the quantification of chemical groups and quantitative HPLC fingerprint of PC was achieved as demonstrated through the quantification of six triterpenes in PC by a single marker. (4) Conclusions: Through qualitative and quantitative chemical characterization, a multi-directional, simple and efficient routine evaluation method of PC quality was established. The results reveal that this strategy can provide an analytical method for the quality evaluation of PC and other Chinese medicinal materials.     

基于UPLC-Q-Orbitrap MS/MS技术研究酸枣仁发酵过程中的化学成分转化

利用超高效液相色谱-四极杆-静电场轨道阱串联质谱（UPLC-Q-Orbitrap MS/MS）研究了酸枣仁经茯苓发酵前后的主要化学成分变化，初步探讨了茯苓对酸枣仁发酵的转化规律.鉴定了发酵产物中24种化学成分，整合多元统计方法对酸枣仁发酵0，7和14 d后的差异性化学成分进行研究，采用正交偏最小二乘分析找到7个差异成分.采用t-检验对24种化学成分的相对含量进行分析；并分析了酸枣仁中黄酮苷、皂苷类成分的代谢反应途径.通过茯苓发酵，酸枣仁中化学成分主要发生了脱酰基和脱糖基等水解反应.为酸枣仁发酵产物的化学成分检测提供了快速、直观且准确的方法，为酸枣仁-茯苓共发酵产物的深入开发与利用提供了科学依据.     

基于表面增强拉曼光谱技术和GWO-SVR算法快速实现水中总氮总磷含量检测

提出了一种将表面增强拉曼光谱技术（SERS）和基于灰狼优化（GWO）算法的支持向量回归（SVR）相结合快速定量检测水中总氮(TN)、总磷(TP)含量的定量分析方法。传统的TN、TP检测方法不但过程繁杂,实验环境要求高,而且耗时较长,不能实现快速检测。而SERS技术操作简单,耗时短,将其与GWO-SVR算法相结合可以实现快速精确检测。以实验室配制的银溶胶作为拉曼光谱增强基底,不同浓度梯度TN、TP溶液为研究对象,分别配制TN、TP样本溶液26组和23组,其中TN溶液选取8组作为测试集,TP溶液选取7组作为测试集,剩余样本溶液作为训练集。根据待测溶液与银溶胶不同体积配比确定最佳实验方案,将TN、TP分别与银溶胶进行1∶1,1∶2,1∶3,2∶1和3∶1的体积比混合,结果表明当待测溶液与银溶胶以2∶1比例混合时增强效果最佳。采集光谱信息并对特征峰进行归属,然后采用暗电流扣除、背景扣除（基线校正）和平滑处理对原始光谱数据进行预处理。经光谱分析结果可知,由于不同浓度溶液官能团浓度差异,光谱特征峰强度随溶液浓度变化而变化。以训练集样本溶液光谱特征峰强度和溶液浓度值作为回归预测模型的输入值和输出值,建立GWO-SVR定量分析模型。通过测试集样本溶液的相关系数(r)和均方误差(MSE)对模型的预测能力进行分析,并将GWO-SVR模型和其他两种模型进行对比。结果表明,GWO-SVR模型对TN溶液预测的相关系数为0.999 5,均方误差为0.005 8,高于人工蜂群算法优化支持向量回归（ABC-SVR）和粒子群算法优化神经网络（PSO-BP）的0.993 8,0.052 7和0.998 3,0.022 7。对TP溶液预测的相关系数为0.998 5,均方误差为0.037 6,也均高于另外两种模型。而且与ABC-SVR和PSO-BP模型相比,GWO-SVR定量分析输入参数更少,收敛速度更快,更容易找到全局最优解。因此,该方法可以实现对水中TN、TP含量的快速准确检测,为水质检测提供了新方法。