Maes Emmanuel, Bonachera Fanny, Strecker Gerard, Guerardel Yann
Unité de Glycobiologie Structurale et Fonctionnelle, UMR 8576 CNRS, Université des Sciences et Technologies de Lille, F-59655 Villeneuve d'Ascq cedex, France.
Carbohydr Res. 2009 Feb 17;344(3):322-30. doi: 10.1016/j.carres.2008.11.001. Epub 2008 Nov 12.
(1)H NMR is now a standard method to determine de novo primary sequence of all sorts of glycans. These last 30 years, tens of thousands of oligosaccharide sequences have been elucidated by NMR spectroscopy in conjunction with other physico-chemical methods including mass spectrometry and gas chromatography. Most of these sequences are now compiled and available in several web databases recently unified in publicly available GlycomeDB, along with sets of experimental data. However, because the search for an exact sequence exclusively based on proton chemical shifts is sometimes delicate for NMR non-specialists, we worked out a new type of query, named SOACS, which allows the easy retrieval of existing sequences. This query is based on the readily distinguished (1)H chemical shifts from any (1)H NMR spectrum, and was designed to be usable to the widest scientist community.
（1）氢核磁共振（¹H NMR）现已成为确定各类聚糖从头初级序列的标准方法。在过去30年里，借助核磁共振光谱法并结合包括质谱法和气相色谱法在内的其他物理化学方法，已经阐明了数以万计的寡糖序列。现在，这些序列中的大多数已被汇编，并可在最近统一到公开可用的糖组数据库（GlycomeDB）中的几个网络数据库中获取，同时还有一系列实验数据。然而，由于仅基于质子化学位移来搜索精确序列对于核磁共振非专业人员来说有时比较棘手，我们设计出了一种名为SOACS的新型查询方式，它能让现有序列的检索变得轻松。这种查询基于任何¹H NMR谱中易于区分的¹H化学位移，并且设计得可供最广泛的科学界使用。
