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qNMR Events |
qNMR - The Mag[net]ic Research ToolNuclear 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 AssayAs 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.
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qNMR |
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4th qNMR Summit 2018 |
RECENT PAPERS
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Evolution of Quantitative Measures in NMR: Quantum Mechanical qHNMR Phansalkar et al. J. Nat. Prod. 2017, 80,634-647 |
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qNMR Resources |
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qNMR Calculation Spreadsheets (free, CClicenses) qNMR Metrology and Standards qHNMR Experiments qNMR Workshop |
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Open Spaces - qNMR Provides Universal Detection and Analytical OrthogonalityNMR 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:
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 Notably, most of these industrial qNMR methods are proprietary, unpublished, and thus are typically unavailable to the research community. |
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Perspectives |
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Perspectives 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 |
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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 |
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Validation of a Generic qHNMR Method Gödecke et al. Phytochemical Analysis 2014, 24, 581-597 |
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qNMR Reviews & LiteratureOur group has published three in-depth reviews on qNMR, particularly 1H NMR (qHNMR):
The qNMR literature is growing rapidly.
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Orthogonal Analysis Underscores the Relevance of Primary and Secondary Metabolites in Licorice Simmler et al. Journal of Natural Products 2014, 77, 1806-1816 |
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qNMR REVIEWS @UIC |
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qHNMR Review Series Quantitative 1H NMR: development and potential of a method for natural products analysis Pauli/Lankin/Jaki Journal of Natural Products 2005, 68, 133-149 2012, 75, 834-851 |
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Universal Quantiative NMR Analysis of Complex Natural Samples Simmler et al. Curr. Oppinion Biotechnol. 2014, 25, 51-59 |
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qNMR Background
qNMR Research at UIC [Contact]
qNMR Resources
qNMR Resources at UICOur 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.
Teaching qNMREducational resources for qNMR:
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FURTHER PAPERS qNMR@UIC |
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HiFSA Fingerprinting of Isomers with Near Identical NMR Spectra: Silybin/Isosilybin Case J. Org. Chem. 2013, 78, 2827 |
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Dereplication, Residual Complexity and Rational Naming – the Case of the Actaea Triterpenes Qiu et al. J. Nat. Prod. 2012, 75, 432-443 |
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The Tandem of Full Spin Analysis and qHNMR for the Quality Control of Botanicals Exemplified with Ginkgo biloba |
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Integrated qHNMR Standardization Concept for Angelica Botanicals Gödecke et. al Fitoterapia 2012, 83 18-32 |
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Routine qHNMR Protocol Bruker Varian Jeol Support Pauli/Jaki/Lankin J. Nat. Prod. 2007, 70(4) 589-95 |
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