qNMR Portal at Lake Michigan
Magnetic Relaxation

qNMR - The Mag[net]ic Research Tool

Nuclear Magnetic Resonance (NMR) is a powerful spectroscopic tool that is widely used in structural analysis. While the majority of NMR applications is qualitative, quantitative NMR (qNMR) represents a metrological method of analysis with unique capabilites.

qHNMR - The Purity Assay

As protons are nearly ubiquitous in organic molecules, the 1H variant of qNMR, qHNMR, has great potential to serve as universal and precise purity assay for synthetic and natural compounds, surpassing the capabilities of (HP)LC-based methods.


Perspectives Article
The Importance of Purity Evaluation and the Potential of Quantitative 1H NMR as a
Purity Assay

Pauli et al.
J. Med. Chem.
2014, 57, 9220-9231

Open Spaces: Universal Quantitative Analysis by qNMR

NMR analyzes molecules at the atomic level, detecting e.g. protons (1H) and carbons (13C). By virtue of NMR's almost universal detection capabilities, there are almost unlimited opportunies to implement qNMR for quantitative assays. Thus, the particular power of quantitative NMR arises from several properties:

  • qNMR offers a unique physicochemical view of the analyte based on nuclear magentism
  • qNMR is a primary analytical method, and
  • qNMR yields qualitative and quantitative information simultaneously.

Thus, qNMR is a versatile tool for research projects at the chemistry-biology interface.

Quantitative 1H NMR (qHNMR) has recently been gaining popularity in the analysis of complex natural products such as botanicals dietary supplements and traditional medicines. Particularly for the purpose of standardization of such materials, qHNMR has shown to be a valuable, orthogonal quantification method, representing an attractive alternative to the widespread use of LC-based techniques.

GMP/GLP environments such as the pharmaceutical and chemical manufacturers have a long track record of using qNMR methods for quantitative measurements. Notably, most of these industrial qNMR methods are proprietary, unpublished, and thus are typically unavailable to the research community.

Orthogonal Analytical Methods for Botanical Standardization: Determination of Green Tea Catechins by qNMR and LC-MS/MS
Napolitano et al.
J. Pharm. Biomed. Anal.
2014, 93, 59-67
Validation of a Generic qHNMR Method
Gödecke et al.
Phytochemical Analysis
2014, 24, 581-597
Orthogonal Analysis Underscores the Relevance of Primary and Secondary Metabolites in Licorice
Simmler et al.
Journal of Natural Products
2014, 77, 1806-1816

Comprehensive qNMR Reviews

Our group has published three in-depth reviews on qNMR, particularly 1H NMR (qHNMR):

qHNMR Review Series
Quantitative 1H NMR: development and potential of a method for natural products analysis
Journal of Natural Products
2005, 68, 133-149
2012, 75, 834-851
Universal Quantiative NMR Analysis of Complex Natural Samples
Simmler et al.
Curr. Oppinion Biotechnol.
2014, 25, 51-59

qNMR Background

qNMR Research at UIC [Contact]

  • Development of qNMR methodology
  • Metabolomic applications of qHNMR
  • Assessment of purity and integrity of pharmaceutical materials,botanical preparations, natural products and reference materials

qNMR Resources

qNMR Resources at UIC

Our group has an extensive track record and expertise in developing qNMR experimental techniques, with a focus on the 1H variant of qNMR (qHNMR), and capabilities for 13C and 31P qNMR analysis.

HiFSA Fingerprinting of Isomers with Near Identical NMR Spectra:
Silybin/Isosilybin Case

J. Org. Chem.
2013, 78, 2827
Dereplication, Residual Complexity and Rational Naming – the Case of the Actaea Triterpenes
Qiu et al.
J. Nat. Prod.
2012, 75, 432-443

The Tandem of Full Spin Analysis and qHNMR for the Quality Control of Botanicals Exemplified with Ginkgo biloba
Napolitano et al.

Journal of Natural Products
2012, 75, 238-248

Integrated qHNMR Standardization Concept for Angelica Botanicals
Gödecke et. al
2012, 83 18-32
Magnetic Peaks
Routine qHNMR Protocol
Bruker Varian Jeol Support
J. Nat. Prod.
2007, 70(4) 589-95
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