Cozzolino Daniel
The Australian Wine Research Institute, PO Box 197, Glen Osmond SA 5064, Australia.
Comb Chem High Throughput Screen. 2011 Feb;14(2):125-31. doi: 10.2174/138620711794474105.
Chemical and physiological properties are related to individual or bioactive compounds such as essential oils, terpenoids, flavonoids, volatile compounds and other chemicals which are present in natural products in low concentrations (e.g. ppm or ppb). For many years, classical separation, chromatographic and spectrometric techniques such as high performance liquid chromatography (HPLC), gas chromatography (GC), liquid chromatography (LC) and mass spectrometry (MS) have been used for the elucidation of isolated compounds from different matrices. Hence, the use of standard separation, chromatographic and spectrometric methods was found useful in chemical and both plant and animal physiology studies, for fingerprinting and comparing natural and synthetic samples, as well as to identify single active compounds. It has been generally accepted that a single analytical technique will not provide sufficient visualization of the metabolome, hence holistic techniques are needed for comprehensive analysis. In the last 40 years near infrared (NIR) spectroscopy became one of the most attractive and used methods of analyzing agricultural related products and plant materials which provide simultaneous, rapid and non-destructive quantitation of major. This technique has been reported to determine other minor compounds in plant materials such as volatile compounds and elements. The aim of this short review is to describe some recent applications of NIR spectroscopy combined with multivariate data analysis for high throughput screening of metabolites with an emphasis on food and medical applications.
化学和生理特性与个别或生物活性化合物相关，如精油、萜类化合物、黄酮类化合物、挥发性化合物以及其他以低浓度（如ppm或ppb）存在于天然产物中的化学物质。多年来，经典的分离、色谱和光谱技术，如高效液相色谱（HPLC）、气相色谱（GC）、液相色谱（LC）和质谱（MS），一直被用于从不同基质中阐明分离出的化合物。因此，标准的分离、色谱和光谱方法在化学以及植物和动物生理学研究中被发现是有用的，可用于对天然和合成样品进行指纹识别和比较，以及鉴定单一活性化合物。人们普遍认为，单一的分析技术无法充分呈现代谢组的全貌，因此需要整体技术进行全面分析。在过去40年里，近红外（NIR）光谱法已成为分析农业相关产品和植物材料最具吸引力且常用的方法之一，它能同时、快速且无损地对主要成分进行定量分析。据报道，该技术还能测定植物材料中的其他微量化合物，如挥发性化合物和元素。这篇简短综述的目的是描述近红外光谱法结合多变量数据分析在高通量筛选代谢物方面的一些最新应用，重点是食品和医学应用。
