The zebra mussel (Dreissena polymorpha) represents a useful reference organism for the ecotoxicological study of inland waters, especially for the characterization of the disturbances induced by human activities. A nuclear magnetic resonance (NMR)-based metabolomic approach was developed on this species. The investigation of its informative potential required the prior interpretation of a reference ¹H NMR spectrum of a lipid-free zebra mussel extract. After the extraction of polar metabolites from a pool of whole-body D. polymorpha powder, the resulting highly complex 1D ¹H NMR spectrum was interpreted and annotated through the analysis of the corresponding 2D homonuclear and heteronuclear NMR spectra. The spectrum interpretation was completed and validated by means of sample spiking with 24 commercial compounds. Among the 238 detected ¹H signals, 53% were assigned, resulting in the identification of 37 metabolites with certainty or high confidence, while 5 metabolites were only putatively identified. The description of such a reference spectrum and its annotation are expected to speed up future analyses and interpretations of NMR-based metabolomic studies on D. polymorpha and to facilitate further explorations of the impact of environmental changes on its physiological state, more particularly in the context of large-scale ecological and ecotoxicological studies.

中文翻译：

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斑马贻贝（Dreissena polymorpha）作为生态毒理学研究的模型生物：全身提取物的1H NMR光谱解释，用于代谢监测。

斑马贻贝（Dreissena polymorpha）是内陆水域生态毒理研究的有用参考生物，特别是对于人类活动引起的干扰的表征。在该物种上开发了基于核磁共振（NMR）的代谢组学方法。要研究其有益的潜力，需要先对无脂质斑马贻贝提取物的参考¹ H NMR光谱进行解释。从全身多形吗啡粉末池中提取极性代谢物后，得到的高度复杂的1D ¹通过分析相应的2D同核和异核NMR光谱来解释和注释1 H NMR光谱。光谱解释已经完成，并通过加标24种市售化合物的样品进行了验证。在238个检测到的¹ H信号中，分配了53％，从而可以确定性或高可信度地鉴定出37种代谢物，而仅假定地鉴定出5种代谢物。这种参考光谱的描述及其注释有望加快未来对多形毛果核磁共振基于代谢组学研究的分析和解释。 并有助于进一步探索环境变化对其生理状态的影响，尤其是在大规模的生态学和生态毒理学研究中。