CCMRD

CCMRD provides a curated database of chemical shift data from solid-state Nuclear Magnetic Resonance (NMR) to support structural and dynamic analysis of insoluble complex carbohydrates.

Key Features:

• Chemical shift repository: houses chemical shift information from over 400 solid-state NMR compounds.
• Solid-state NMR focus: organizes data specific to solid-state Nuclear Magnetic Resonance spectroscopy for insoluble complex carbohydrates.
• Searchable queries: enables queries based on NMR chemical shifts, carbohydrate names, and compound classes.
• Spectral analysis and structure determination support: facilitates spectral analysis and structure determination using stored chemical shift data.
• Polymorphism and dynamics data: captures information relevant to polymorphic structure and heterogeneous dynamics of complex carbohydrates.

Scientific Applications:

• Structural characterization of insoluble complex carbohydrates: supports assignment and interpretation of solid-state NMR chemical shifts for structure determination.
• Analysis of polymorphism and heterogeneous dynamics: enables study of polymorphic forms and heterogeneous molecular dynamics in carbohydrate biomaterials.
• Spectral assignment and comparison: enables matching experimental solid-state NMR spectra to reference chemical shifts.
• Carbohydrate classification and compound-specific queries: facilitates identification and grouping by carbohydrate name and compound class.

Methodology:

Curated chemical shift entries from solid-state NMR are stored and made searchable by chemical shift, carbohydrate name, and compound class to support spectral analysis and structure determination.