Data from: Evolutionary metabolomics reveals domestication-associated changes in tetraploid wheat kernels

Domestication and breeding have influenced the genetic structure of plant populations due to selection for adaptation from natural habitats to agro-ecosystems. Here, we investigate the effects of selection on the contents of 51 primary kernel metabolites and their relationships in three Triticum turgidum L. subspecies (i.e., wild emmer, emmer, durum wheat) that represent the major steps of tetraploid wheat domestication. We present a methodological pipeline to identify the signature of selection for molecular phenotypic traits (e.g., metabolites and transcripts). Following the approach, we show that a reduction in unsaturated fatty acids was associated with selection during domestication of emmer (primary domestication). We also show that changes in the amino acid content due to selection mark the domestication of durum wheat (secondary domestication). These effects were found to be partially independent of the associations that unsaturated fatty acids and amino acids have with other domestication-related kernel traits. Changes in contents of metabolites were also highlighted by alterations in the metabolic correlation networks, indicating wide metabolic restructuring due to domestication. Finally, evidence is provided that wild and exotic germplasm can have a relevant role for improvement of wheat quality and nutritional traits.驯化与育种通过筛选适配从自然生境到农业生态系统的性状，重塑了植物种群的遗传结构。本研究针对代表四倍体小麦驯化主要阶段的三个圆锥小麦（Triticum turgidum L.）亚种——野生二粒小麦、栽培二粒小麦与硬粒小麦，探究了选择压力对51种主要籽粒代谢物含量及其相互关系的影响。本研究提出一套可用于鉴定分子表型性状（如代谢物与转录本）选择特征的分析流程。依托该分析流程，研究发现不饱和脂肪酸含量的降低与栽培二粒小麦的初级驯化过程中的选择压力显著相关；同时，由选择介导的氨基酸含量变化，可作为硬粒小麦次级驯化过程的标志性特征。上述效应在一定程度上独立于不饱和脂肪酸、氨基酸与其他驯化相关籽粒性状之间的固有关联。代谢关联网络的重构同样凸显了代谢物含量的变化，表明驯化过程引发了广泛的代谢组重塑。最后，本研究提供证据证实，野生与外来种质资源可在小麦品质及营养性状改良中发挥重要作用。