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Related Concept Videos

¹H NMR: Complex Splitting01:13

¹H NMR: Complex Splitting

1.7K
A proton M that is coupled to a proton X results in doublet signals for M. However, NMR-active nuclei can be simultaneously coupled to more than one nonequivalent nucleus. When M is coupled to a second proton A, such as in styrene oxide, each peak in the doublet is split into another doublet.
Splitting diagrams or splitting tree diagrams are routinely used to depict such complex couplings. While drawing splitting diagrams, the splitting with the larger coupling constant is usually applied...
1.7K
NMR and Mass Spectroscopy of Carboxylic Acids01:30

NMR and Mass Spectroscopy of Carboxylic Acids

5.1K
In ¹H NMR spectroscopy, acidic protons (–COOH) of carboxylic acids are highly deshielded and absorb far downfield, at around 9–12 ppm. The chemical shift value depends on the concentration and solvent used.
While α protons of carboxylic acids absorb at 2–2.5 ppm, β protons absorb further upfield.
Carboxylic acids are easily identified by dissolving them in deuterium oxide, which results in a rapid exchange of the acidic protons with deuterium. This leads to the...
5.1K
Mass Spectrometry: Complex Analysis01:21

Mass Spectrometry: Complex Analysis

1.5K
Mass spectrometry is an important technique for the identification of pure compounds. However, it has some limitations for the analysis of complex mixtures, often due to excessive fragmentation making the spectrum too complicated to decipher. Mass spectrometry can be combined with suitable separation methods in sequence, forming hyphenated methods, which are useful in the analysis of complex mixtures.
GC–MS is a powerful hyphenated method commonly used in forensics and environmental...
1.5K
NMR Spectroscopy and Mass Spectrometry of Aldehydes and Ketones01:15

NMR Spectroscopy and Mass Spectrometry of Aldehydes and Ketones

5.3K
In aldehydes, the hydrogen atom connected to the carbonyl carbon helps distinguish aldehydes from other carbonyl compounds using ¹H NMR spectroscopy. The closeness of aldehydic hydrogen to the electrophilic carbonyl carbon highly deshields the hydrogen atom causing its signal to appear around 10 ppm in the ¹H NMR spectra. α hydrogens split the aldehydic proton signal, which helps identify the number of α hydrogens in the molecule. For instance, one α hydrogen creates a...
5.3K
NMR Spectroscopy of Aromatic Compounds01:14

NMR Spectroscopy of Aromatic Compounds

6.0K
Aromatic compounds can be identified or analyzed using proton NMR and carbon‐13 NMR. Typically, aromatic hydrogens or hydrogens directly bonded to the aromatic rings are strongly deshielded by the aromatic ring current. Therefore, they absorb in the range of 6.5–8.0 ppm in proton NMR spectra. For instance, aromatic hydrogens directly bonded to the benzene ring absorb at 7.3 ppm. However, aromatic hydrogens of larger rings absorb farther upfield or downfield than the ideal range.
6.0K
NMR Spectrometers: Overview01:20

NMR Spectrometers: Overview

2.0K
NMR spectrometers consist of a strong magnet, a radiofrequency transmitter, and a detector attached to a computer console for recording spectra of samples containing NMR-active nuclei. In first-generation NMR instruments called continuous-wave spectrometers, the resonance frequencies of the nuclei are determined by frequency-sweep or field-sweep methods. The magnetic field strength is fixed and the rf signal is swept in the former, while the radiofrequency signal is fixed and the magnetic field...
2.0K

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Updated: Dec 27, 2025

Author Spotlight: Unveiling the Structural and Dynamic Aspects of Glycan Molecular Recognition
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CCMRD: a solid-state NMR database for complex carbohydrates.

Xue Kang1, Wancheng Zhao2, Malitha C Dickwella Widanage2

  • 1Department of Chemistry, Louisiana State University, Baton Rouge, LA, 70803, USA. kangxuepku@gmail.com.

Journal of Biomolecular NMR
|March 4, 2020
PubMed
Summary
This summary is machine-generated.

A new database, the Complex Carbohydrates Magnetic Resonance Database (CCMRD), now offers solid-state Nuclear Magnetic Resonance (NMR) data for carbohydrates. This resource aids in analyzing complex carbohydrate structures and dynamics.

Keywords:
CarbohydratesDatabasePolysaccharidesSolid-state NMR

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Area of Science:

  • Biochemistry
  • Biomaterials Science
  • Spectroscopy

Background:

  • Carbohydrates are vital for life processes and biomaterials.
  • Solid-state Nuclear Magnetic Resonance (NMR) spectroscopy is crucial for studying insoluble complex carbohydrates.
  • Existing resources lack comprehensive solid-state NMR data for carbohydrates.

Purpose of the Study:

  • To introduce the Complex Carbohydrates Magnetic Resonance Database (CCMRD), the first database of its kind for solid-state NMR data.
  • To provide a centralized, accessible platform for carbohydrate NMR information.
  • To facilitate research in carbohydrate structure and dynamics.

Main Methods:

  • Development of a dedicated database (CCMRD) for solid-state NMR data.
  • Inclusion of chemical shift information for over 400 solid-state NMR compounds.
  • Implementation of open data deposition and search functionalities based on chemical shifts, compound names, and classes.

Main Results:

  • Establishment of the CCMRD with a foundational dataset of complex carbohydrate NMR information.
  • Creation of user-friendly portals for data submission and retrieval.
  • Availability of search tools for NMR chemical shifts, carbohydrate names, and compound classes.

Conclusions:

  • The CCMRD is a valuable new resource for the scientific community studying carbohydrates.
  • This database will accelerate spectral analysis and structure determination of complex carbohydrates.
  • CCMRD is expected to foster advancements in software development for carbohydrate research.