共查询到19条相似文献,搜索用时 15 毫秒
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药物核磁共振定量分析参数的研究 总被引:2,自引:1,他引:1
药物核磁共振定量分析已见诸多篇报道. 英、美、欧药典中都先后引入了核磁共振分析方法.本文对药物核磁共振定量分析的参数作了较为详尽的研究,提出了选择定量特征峰的新标准.经维生素C实际样品测定其精密度优于1%,结果满意. 相似文献
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核磁共振氢谱(Proton Nuclear Magnetic Resonance,1H NMR)是中药指纹图谱中一种鉴定和控制植物中药质量的新方法.本文采用CPMG(Carr-Purcell-Meiboom-Gill)脉冲序列采集了杜仲提取物的1H NMR谱,通过完整还原振幅频率表(Complete Reduction to Amplitude-Frequency Table,CRAFT)分析技术对杜仲指纹图谱进行特征指纹分析,将待目标合物的信号从混合物图谱中剥离出来,实现了不分离样品而分析目标化合物信息的目的,从而对杜仲的特征化合物——松脂醇二葡萄糖苷(Pinoresinol Glucoside,PDG)进行了定性和定量分析.结果显示贵阳药用植物园所得杜仲的PDG含量为0.275 6%,相对标准偏差(Relative Standard Deviation,RSD)为1.69%,与高效液相色谱(High Performance Liquid Chromatography,HPLC)定量分析结果(含量为0.269 6%,RSD为0.65%)基本一致.另外,通过NMR检测与多变量数据建模相结合分析了杜仲提取物的全指纹图谱,结果显示同一采收期不同产地的杜仲药材有显著差异,这表明该方法可用于鉴定不同产地的药材,具有一定的实用意义. 相似文献
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过去的二十年中,量子信息相关研究取得了显著的进展,重要的理论和实验工作不断涌现.与其他量子信息处理系统相比,基于自旋动力学的核磁共振系统,不仅具有丰富而且成熟的控制技术,还拥有相干时间长、脉冲操控精确、保真度高等优点.这也是核磁共振体量子系统能够精确操控多达12比特的量子系统的原因.因此,核磁共振量子处理器在量子信息领域一直扮演着重要角色.本文介绍核磁共振量子计算的基本原理和一些新研究进展.研究的新进展主要包括量子噪声注入技术、量子机器学习在核磁共振平台上的实验演示、高能物理和拓扑序的量子模拟以及核磁共振量子云平台等.最后讨论了液态核磁共振的发展前景和发展瓶颈,并对未来发展方向提出展望. 相似文献
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以聚二甲基硅氧烷(polydimethylsiloxane,PDMS)作为NMR中色谱技术的虚拟“固定相”,利用高分辨液体NMR中的DOSY技术考察其对正戊烷、1-溴戊烷和1,5-二溴戊烷这3种烷烃的分离性能.结果显示,在没有添加PDMS时,上述3种组分的扩散系数较接近,不能被分离;但当检测体系中含有PDMS时,3种组分的扩散系数相差较大,因而能被很好地分离.此外,还研究了样品温度和溶液粘度对分离性能的影响,其影响的趋势为:升高样品温度能改善混合物的分离;而增加溶液粘度则不利于混合物的分离. 相似文献
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面向PC的实时读出系统二维图象处理及其集成交互软件 总被引:1,自引:1,他引:0
通用个人计算机及其显示系统的发展,使得以通用微机开发特定仪器设备专用的小型图象处理系统成为可能,本文提出一个基于通用PC机TVGA/SVGA显示系统的二维图象处理集成交互式软件系统,该系统以PC机为基础,结合CCD摄象机、视频图象采集与帧存储器以及控制接口一起构成变象管相机实时读出系统,用于执行读出系统控制、图象采集输入、图象处理和分析、结果输出和图象及其相关特征文件管理等功能;在结构和处理方法上,该软件系统的设计充分利用了TVGA的硬件特点和图象处理与分析领域的最新成果;包括黑白和伪彩色互换显示,自适应顺序统计量滤波、最小二乘阈值自调节图象分割技术及ARC图象数据压缩存取等;系统采用多层弹出式菜单和窗口技术,向用户提供了简明方便的交互式用户接口,具有丰富的通用图象处理分析功能,除支持变像管相机读出所需的各种专门处理与分析外,还可作为通用的二维图象分析系统,具有广泛的适用性。 相似文献
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核磁共振波谱在药物发现中的应用 总被引:4,自引:2,他引:2
核磁共振波谱通过检测组成有机化合物分子的原子核跃迁而得到反映核性质的参数以及周围化学环境对这些参数的影响规律. 这些参数的相关内容包含了极其详尽的有机化合物分子结构和分子间相互作用的信息,并构成了核磁共振结构解析和生物靶分子-配体相互作用研究的理论基础. 在生物医药研发领域内,科研院所和公司企业的研发工作者们一直在努力探索利用核磁共振波谱监测生物靶分子-配体相互作用作为药物发现工具的潜能. 本文旨在针对核磁共振波谱在药物发现过程中活性化合物筛选的最新研究进展进行综述. 相似文献
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Signal overlap in the NMR dimension significantly complicates the construction and analysis of 2D diffusion-ordered (DOSY) spectra. Such problems can often be reduced or even eliminated by extending the NMR domain of a DOSY experiment into two dimensions, giving a 3D-DOSY spectrum. To date such experiments have generally sacrificed some signal-to-noise ratio and have required extensive and time-consuming phase cycling. A new family of pulse sequences with internal diffusion encoding (IDOSY) has been introduced which avoids both of these problems. It is often straightforward to incorporate convection compensation in such sequences at no cost in signal-to-noise ratio. Here, some of the problems caused by convection in DOSY are described and illustrated, and the efficacy of convection compensation in the 2DJ-IDOSY and COSY-IDOSY experiments is demonstrated. 相似文献
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被誉为“ NMR 中色谱技术”的二维扩散排序 NMR 谱(DOSY)技术是检测混合物溶液中不同分子组分的一种有效手段.但是当面对自扩散系数差别较小的不同分子时, DOSY技术便无法对上述混合物进行基线分离. 在 NMR 魔角旋转转子或 NMR 样品管中添加一些色谱填料或高分子等基质(或称为虚拟“色谱固定相”)是一种行之有效的手段.这些虚拟“色谱固定相”与混合物组分发生相互作用并改变其自扩散系数,从而对混合物实现基线分离.该文综述了近年来基质辅助 NMR中色谱技术的研究进展. 相似文献
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Stilbs P 《Journal of magnetic resonance (San Diego, Calif. : 1997)》2010,207(2):332-336
It is demonstrated that very robust spectral component separation can be achieved through global least-squares CORE data analysis of automatically or manually selected spectral regions in complex NMR spectra in a high-resolution situation. This procedure (acronym RECORD) only takes a few seconds and quite significantly improves the effective signal/noise of the experiment as compared to individual frequency channel fitting, like in the generic HR-DOSY approach or when using basic peak height or integral fitting. Results from RECORD processing can be further used as starting value estimates for subsequent CORE analysis of spectral data with higher degree of spectral overlap. 相似文献
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采用核磁共振(NMR)技术对吡虫啉生产过程中吗啉精馏后的副产物进行了定性定量分析.二维扩散排序谱(2D DOSY)表明该产物由两种化合物组成.对样品的核磁共振氢谱(1H NMR)、二维扩散排序谱(2D DOSY)、碳谱(13C NMR)、DEPT、氢-氢相关谱(1H-1H COSY)、碳氢相关谱(HSQC)与碳氢远程相关谱(HMBC)进行了解析,对其所有的NMR谱信号进行了归属,确定样品所含的两种主要组份为双吗啉和烯胺.最后采用定量13C NMR技术得到了该精馏副产物中双吗啉和烯胺组成的摩尔比例为1∶4. 相似文献
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Carrara C Viel S Delaurent C Ziarelli F Excoffier G Caldarelli S 《Journal of magnetic resonance (San Diego, Calif. : 1997)》2008,194(2):303-306
Recently, it was demonstrated that pseudo-chromatographic NMR experiments could be performed using typical chromatographic solids and solvents. This first setup yielded improved separation of the spectral components of the NMR spectra of mixtures using PFG self-diffusion measurements. The method (dubbed Chromatographic NMR) was successively shown to possess, in favorable cases, superior resolving power on non-functionalized silica, compared to its LC counterpart. To further investigate the applicability of the method, we studied here the feasibility of Chromatographic NMR in common deuterated solvents. Two examples are provided, using deuterated chloroform and water, for homologous compounds soluble in these solvents, namely aromatic molecules and alcohols, respectively. 相似文献
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Hoffman RE Arzuan H Pemberton C Aserin A Garti N 《Journal of magnetic resonance (San Diego, Calif. : 1997)》2008,194(2):295-299
NMR spectroscopy is an excellent tool for the structural analysis of pure compounds. However, for mixtures it performs poorly because of overlapping signals. Diffusion can be used to separate compounds of widely differing molecular weight but the amount of separation is usually insufficient.Addition of a solid medium, analogous to the stationary phase in chromatography, can preferentially slow the diffusion of some components of a mixture permitting separation in the diffusion dimension. However, this would usually require a solid-state NMR spectrometer otherwise the signals would be too broad.Susceptibility matching the solvent to the solid medium yields a spectrum with narrow signals allowing the measurement of a DOSY spectrum with enhanced separation in the diffusion dimension. 相似文献
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《光谱学快报》2013,46(3):319-342
Abstract The application of nuclear magnetic resonance (NMR) spectroscopy, hyphenated NMR, and diffusion‐ordered spectroscopy (DOSY) to the characterization of mango juice, as an example of a complex food mixture, is described. The compositional changes taking place as a function of ripening were followed, and selected metabolites were quantified by integration of the corresponding NMR peaks. In this way, an overall view of the metabolite changes is obtained, enabling the study of the biochemical mechanisms involved in the ripening process. More than 50 compounds were identified by 1D‐ and 2D‐NMR, but many ambiguous assignments remain due to spectral overlap or insufficient coupling information. The use of Liquid Chromatography (LC‐NMR) and LC‐NMR/Mass Spectrometry (MS) enables a fuller characterization of the soluble pectin fraction to be made; its dependence on ripening stage is discussed. Finally, DOSY adds information on the Mr of many metabolites, including the pectin fractions of ripe and unripe mango juices, and enables further peak assignments to be made. 相似文献
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Karl Vermillion Neil P.J. Price 《Journal of magnetic resonance (San Diego, Calif. : 1997)》2009,198(2):209-214
The feasibility of obtaining high quality homonuclear or heteronuclear diffusion-ordered 13C NMR data is shown to be greatly improved by using 13C isotopically-enriched samples. Stable isotope-enhanced diffusion ordered (SIE-DOSY) 13C NMR has been applied to 13C-enriched carbohydrates, and has been used to determine diffusion coefficients for pentose and hexose monosaccharides, and a disaccharide and trisaccharide. These 2D spectra were obtained with as little as 8 min of acquisition time. Fully resolved 3D DOSY-HMQC NMR spectra of [U-13C]xylose, [U-13C]glucose, and [1-13Cgal]lactose were obtained in 5 h. Sample derivatization with [carbonyl-13C]acetate (peracetylation) extends the usefulness of the technique to included non-labeled sugars; the 13C-carbonyl – carbohydrate ring proton 1H–13C correlations also provide additional structural information, as shown for the 3-D DOSY-HMQC analysis of a mixture of maltotriose and lactose per-[carbonyl-13C]acetates. 相似文献