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CCMRD: a solid-state NMR database for complex carbohydrates

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Abstract

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.

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Abbreviations

CCMRD:

Complex Carbohydrates Magnetic Resonance Database

ssNMR:

Solid-state NMR

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Acknowledgement

This work is supported by the National Science Foundation NSF MCB-1942665 and OIA-1833040.

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Authors and Affiliations

  1. Department of Chemistry, Louisiana State University, Baton Rouge, LA, 70803, USA

    Xue Kang, Wancheng Zhao, Malitha C. Dickwella Widanage, Alex Kirui, Uluc Ozdenvar & Tuo Wang

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  1. Xue Kang
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  2. Wancheng Zhao
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  3. Malitha C. Dickwella Widanage
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  4. Alex Kirui
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  5. Uluc Ozdenvar
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  6. Tuo Wang
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Contributions

XK and TW designed the database and wrote the database; XK, WZ, AK, MCDW and UO indexed the data; XK and WZ deposited the data and programmed the database and interface.

Corresponding authors

Correspondence to Xue Kang or Tuo Wang.

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10858_2020_304_MOESM1_ESM.pdf

Organizational schema of CCMRD (Figure S1); instructions and web interfaces for data search (Figures S2) and user deposition (Figure S3). Supplementary file1 (PDF 667 kb)

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Kang, X., Zhao, W., Dickwella Widanage, M.C. et al. CCMRD: a solid-state NMR database for complex carbohydrates. J Biomol NMR 74, 239–245 (2020). https://doi.org/10.1007/s10858-020-00304-2

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