生态代谢组学利用组学理念和方法探讨生物体内有机代谢物与生态环境之间相互关系一种新兴学科，为深入认识物种间的相互作用与协同进化机制，以探寻生物进化和生态系统的运作规律为目标，通过对生物体内有机代谢物的测定，为生态学或环境科学的研究提供有益的信息。本工作以新疆地区代表性植物骆驼蓬为研究对象，进行生态代谢组学研究，主要内容和成果如下： 1.本工作从样本采集、代谢物提取、样品制备和指纹图谱获取等环节开展方法学研究，以具有不同地理特征的新疆巴楚、玛纳斯、昌吉、福海地区为釆样点，采集不同地区、月份、部位的骆驼蓬植物样本共119个，并利用核磁共振技术获取1H NMR指纹谱119张。通过方法学研究表明，该方法简单易行，所获取的核磁数据可满足后续多变量数据分析的要求。 2.利用多种核磁共振技术手段对代谢物指纹谱进行分析，指认出24种代谢产物，并以此为基础开展了复杂体系中相对定量分析方法研究，为后续研究提供了有力的基础信息。 3.利用多变量分析方法（PCA与PLS-DA），以地域因子为分类指标，对核磁数据进行了代谢组学分析，建立模型能够很好的区分不同地区、不同月份、不同部位的样本，并指出影响其分类的差异代谢物。 4.定量分析差异性代谢物，辅助测定骆驼蓬样本中矿质元素和不同地区抗氧化活性EC50，数据分析结果表明，本工作建立的方法能够很好的揭示骆驼蓬中代谢产物的生态学意义:（1）气温、海拔和土壤的生态条件是影响骆驼蓬差异代谢物的重要因素。巴楚、昌吉和福海三个地区中的差异代谢物蔗糖、脯氨酸等均与气温密切相关。福海高低海拔之间的差异代谢物中乙酸、甜菜碱和碳等与植物的抗寒有关，这与季节性差异代谢物一致。玛纳斯和福海地区样本中差异性的代谢物有：鸭嘴花碱、糖、甜菜碱、缬氨酸、琥珀酸以及多种矿质元素，这与玛纳斯地区属于农业区，化学肥料的使用及土壤盐化程度高有一定的相关性。（2）不同月份差异：春季植物样本中鸭嘴花碱含量最高，具有生物毒性，作为一种化学防御物质可以避免食草性动物的啃噬及病虫害的侵袭，随着季节的变化，鸭嘴花碱的含量逐渐降低；碳水化合物冬季样本中含量较高，糖作为多功能生物分子，除了提供和储备能量外，还具有渗透调节和冰冻保护剂作用，可以作为牲畜的安全越冬饲料。（3）不同部位差异：骆驼蓬根部样本中蔗糖、脯氨酸、乙酸、甜菜碱、赖氨酸的含量远远高于其它部位，这体现了根作为植物的营养部位，吸收、制造和运输等生理功能的特征，这些代谢物在植物体内作为渗透调节物质具有抗寒、抗旱等作用。骆驼蓬碱和去氢骆驼蓬碱在种子中的含量很高，种子在春季萌发时，其中的生物碱溶于水释放到土壤中，有抑制其他植物生长的作用，可以为自身提供足够的生长空间。 骆驼蓬（Peganum harmala L.）是蒺藜科中最原始的物种，适于干旱或半干旱地区生长，在沙地和戈壁滩均可构成建群种或优势种，但在畜牧区曾一度被认为是有害物种。目前生态代谢组学的研究工作在国内仍处于起步阶段，本工作的研究内容和研究成果为骆驼蓬植物的保护、开发和利用提供科学的依据，为生态代谢组学研究提供了一种研究方法，为生态环境评价体系研究新方法提供了一种思路。

Ecometabolism is an emerging concept that explores the relationship between organic metabolites and the ecological environment in vivo using metabolomics concepts and methods. With an in-depth understanding of the interactions between species and co-evolution mechanisms, and exploring the laws of biological evolution and ecosystems, it provides useful information for the study of ecology or environmental science through the study of organic metabolites in organisms. Ecological metabolomics research with Peganum harmala L. as samples has been done in this work. The main results were listed as follows. 1. A study of methodology on sample collection, metabolites extraction, sample preparation and fingerprint obtention has been carried on. 119 samples with different background information (sampling site, sampling time, sampling place) were obtained. Their 1H NMR fingerprint were gained. Methodology study showed that this method is simple and easy to control. Besides, NMR data obtained can meet the requirements of subsequent multivariate analysis. 2. 24 metabolites were identified using 1D and 2D NMR technologies. Also qNMR was performed to give quantitative information to the following research. 3. A multivariate analysis model was built using 1H NMR data and sample information. Samples from different groups can be separated well. Also biomarkers could be pointed out through the model. 4. Quantitative analysis of differential metabolites and assisted determination of the EC50 of mineral elements and antioxidant activities in all P harmala samples have been done in this work. (1) Temperature, altitude and soil habitat conditions are important factors affecting the differential metabolites of P harmala. The differential metabolites of sucrose and proline in Bachu, Changji and Fuhai are closely related to temperature. As differential metabolites, acetic acid and betaine in high and low elevations in Fuhai are related to the cold resistance of plants, which are consistent with seasonal differential metabolites. The contents of the scorpion, sugar, betaine, proline, succinic acid and various mineral elements in the Manas sample were significantly higher than those in the Fuhai area in the pastoral area, which is highly related to the degree of soil salinization in the Manas area. However, differences in the content of succinic acid and norleucine suggest that the low altitudes of Manas and Fuhai may be related to the soil environment. Because Manas belongs to the agricultural area, while Fuhai belongs to the pastoral area. (2) Seasonal differences. Vasicine is a compound which had biological toxicity and its content in spring is the highest. So it could protect the plant from avoiding plant-eating animals’ bite and insect pests. Sugar is a multifunctional biological molecule which could provide energy. And it has the function of osmotic regulation and frozen protectant. So its highest content appears in winter. (3) Difference among different parts of the plant. The content of sucrose, proline, acetic acid, betaine and lysine in root is much higher than other parts. It embodies the feature of nutrition storage part. Content of harmine and harmaline is high in seeds. It has a certain biological toxicity. When seeds sprout in spring, alkaloids could melt into the soil through rain. It is helpful for ecological population competition by inhibiting surrounding plant growth. P harmala. is the most primitive species in the family Zygophyllaceae and widely distributed in arid and semi-arid region. However, it was once seen as a harmful species in pastoral area. Now the research work of ecological metabolomics is still on a preliminary stage. Our study and its results could provide scientific evidence on the protection, development and utilization of P harmala. Also, it provides a research method for ecological metabolomics research and new thought for the study on ecological environment evaluation system.