qNMR Events

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.

• Journal of Medicinal Chemistry Perspectives Article on Purity and qHNMR Assays
• Practical Support: Spreedsheet Calculations for qHNMR Analyses

qNMR
Papers

5th qNMR Summit 2019
Oct 2+3, Rockville (MD), organized by USP (United States Pharmacopoeia) and UIC's CENAPT

Past qNMR Events Page & Links

qNMR Resources
& Info

qNMR Calculation Spreadsheets (free, CClicenses)

qNMR Metrology and Standards
BIPM | NIST | NMIJ

qHNMR Experiments
calibration -
acquisition -
processing -
calculation

qNMR Workshop
NMR Applications beyond Structure Elucidation, materials from a workshop hosted at the ASP 2017 Meeting in Portland (OR)

qReference
A qNMR-based reference material project 2009-2013 (RC2AT005899)

Open Spaces - qNMR Provides Universal Detection and Analytical Orthogonality

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) continues to gain popularity in the analysis of complex natural products such as botanicals dietary supplements and traditional medicines. For the purpose of performing chemical 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.

qNMR Reviews & Literature

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

• The initial 2005 review on the qHNMR Analysis of Natural products, published in the Journal of Natural Products, covering the literature since inception of qNMR
• The subsequent 2012 updated review, also published in JNP, covers the qNMR literature from 06/2004-12/2011
• The 2014 mini-review in the Journal of Pharmaceutical and Biomedical Analysis with focus on qNMR in the analysis of complex samples, adding literature coverage for 01/2012-06/2013

The qNMR literature is growing rapidly.

• A SciFinder searches of the terms "qNMR" and "quantitative NMR" return ~400 hits, (status IV/2016)
• Perform a PubMed search of the term qNMR here (IV/2016: >130 hits)
• Perform a PubMed search of the term qNMR here (IV/2016: >220 hits)

qNMR Background

• qNMR History: Anecdotal qNMR
• qNMR Theory: Routine qHNMR, qNMR Review
• qNMR Applications: Purity-Activity Relationships (PARs), ICH-prescribed residual solvents, fatty acids

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
• qReference: webpages of a qNMR-based reference material project performed at UIC during 2009-2013 (NIH grant RC2AT005899)

qNMR Resources

• qNMR Support:
  • qHNMR experiments: 1H qNMR (qHNMR) for Bruker, Jeol, and Varian
  • qXNMR experiments: qCNMR, 19F qNMR (qFNMR), 31P qNMR (qPNMR), 15N qNMR (qNNMR)
  • qNMR reference materials
• qNMR Reference Standards:
  • Metrological qNMR standards by BIPM Europe) in collaboration with NMIJ/AIST (Japan): qNMR Internal Standard Reference Data
• qNMR Literature: research articles, comprehensive review on qHNMR
• qNMR Links: PERCH qNMR course , UCR qNMR eLearning Module
• Useful NMR Links: NMR Basics, hetero- and homonuclear coupling constants ("Karplus")

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.

• Our Team of qNMR Experts at UIC, College of Pharmacy
• Our Natural Products Group at UIC and at the College of Pharmacy

Teaching qNMR

Educational resources for qNMR:

• The laboratory of Linda Schultz at Tarleton State University teaches qNMR to undergradaute students and has published an educational qNMR article in the ACS Journal of Chemical Education