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CCMRD: a solid-state NMR database for complex carbohydrates.
Journal of Biomolecular NMR ( IF 2.7 ) Pub Date : 2020-03-03 , DOI: 10.1007/s10858-020-00304-2
Xue Kang 1 , Wancheng Zhao 1 , Malitha C Dickwella Widanage 1 , Alex Kirui 1 , Uluc Ozdenvar 1 , Tuo Wang 1
Affiliation  

Carbohydrates are essential to various life activities in living organisms and serve as the central component in many biomaterials. As an emerging technique with steadily improving resolution, solid-state Nuclear Magnetic Resonance (NMR) spectroscopy has the unique capability in revealing the polymorphic structure and heterogeneous dynamics of insoluble complex carbohydrates. Here, we report the first solid-state NMR database for complex carbohydrates, Complex Carbohydrates Magnetic Resonance Database (CCMRD). This database currently holds the chemical shift information of more than four hundred solid-state NMR compounds and expects rapid expansion. CCMRD provides open portals for data deposition and supports search options based on NMR chemical shifts, carbohydrate names, and compound classes. With the timely implementation, this platform will facilitate spectral analysis and structure determination of carbohydrates and promote software development to benefit the research community. The database is freely accessible at www.ccmrd.org.

中文翻译:

CCMRD:复杂碳水化合物的固态NMR数据库。

碳水化合物对于活生物体的各种生命活动至关重要,并且是许多生物材料的核心成分。作为一种稳定提高分辨率的新兴技术,固态核磁共振(NMR)光谱具有独特的能力,可揭示不溶性复杂碳水化合物的多晶型结构和异质动力学。在这里,我们报告了复杂碳水化合物的第一个固态NMR数据库,即复杂碳水化合物磁共振数据库(CCMRD)。该数据库目前保存着四百多种固态NMR化合物的化学位移信息,并有望迅速扩展。CCMRD提供开放的门户网站进行数据存储,并支持基于NMR化学位移,碳水化合物名称和化合物类别的搜索选项。随着及时的实施,这个平台将促进碳水化合物的光谱分析和结构测定,并促进软件开发,以使研究界受益。该数据库可从www.ccmrd.org免费访问。
更新日期:2020-04-21
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