Charting the solid‐state NMR signals of polysaccharides: A database‐driven roadmap
Charting the solid‐state NMR signals of polysaccharides: A database‐driven roadmap
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绘制多糖的固态 NMR 信号图：数据库驱动的路线图
DOI：
10.1002/mrc.5397
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发表时间：
2023
影响因子：
2
通讯作者：
Wang, Tuo
中科院分区：
文献类型：
--
作者：
Zhao, Wancheng;Debnath, Debkumar;Gautam, Isha;Fernando, Liyanage D.;Wang, Tuo
对完整的细胞壁和细胞样品的固态核磁共振(ss核磁共振)测量经常产生难以解释的光谱，这是由于存在许多共存的多糖和在自然条件下观察到的结构多态。为了克服这一分析挑战，我们提出了一种统计方法，用于使用碳水化合物数据库中索引的高分辨率ss核磁共振数据来分析碳水化合物信号。我们生成模拟光谱来演示化学位移分散，并将其与实验数据进行比较，以便于识别重要的真菌和植物多糖，如真菌中的甲壳素和葡聚糖，以及植物中的纤维素、半纤维素和果胶聚合物。我们还证明了来自不同生物体的化学上不同的碳水化合物可能产生几乎相同的信号，强调了高分辨率光谱和共振指定验证的必要性。我们的研究提供了一种区分主要碳水化合物的特征信号的方法，并使我们能够总结目前在植物和真菌中未检测到的多糖，这可能会启发未来的研究。
Solid‐state nuclear magnetic resonance (ssNMR) measurements of intact cell walls and cellular samples often generate spectra that are difficult to interpret due to the presence of many coexisting glycans and the structural polymorphism observed in native conditions. To overcome this analytical challenge, we present a statistical approach for analyzing carbohydrate signals using high‐resolution ssNMR data indexed in a carbohydrate database. We generate simulated spectra to demonstrate the chemical shift dispersion and compare this with experimental data to facilitate the identification of important fungal and plant polysaccharides, such as chitin and glucans in fungi and cellulose, hemicellulose, and pectic polymers in plants. We also demonstrate that chemically distinct carbohydrates from different organisms may produce almost identical signals, highlighting the need for high‐resolution spectra and validation of resonance assignments. Our study provides a means to differentiate the characteristic signals of major carbohydrates and allows us to summarize currently undetected polysaccharides in plants and fungi, which may inspire future investigations.