The DOI matches its Crossref record; 20 of the 20 references it cites were found in a registry or an index.
Importance of Purity Evaluation and the Potential of Quantitative 1H NMR as a Purity Assay: Miniperspective
Open accessAbstract
In any biomedical and chemical context, a truthful description of chemical constitution requires coverage of both structure and purity. This qualification affects all drug molecules, regardless of development stage (early discovery to approved drug) and source (natural product or synthetic). Purity assessment is particularly critical in discovery programs and whenever chemistry is linked with biological and/or therapeutic outcome. Compared with chromatography and elemental analysis, quantitative NMR (qNMR) uses nearly universal detection and provides a versatile and orthogonal means of purity evaluation. Absolute qNMR with flexible calibration captures analytes that frequently escape detection (water, sorbents). Widely accepted structural NMR workflows require minimal or no adjustments to become practical ¹H qNMR (qHNMR) procedures with simultaneous qualitative and (absolute) quantitative capability. This study reviews underlying concepts, provides a framework for standard qHNMR purity assays, and shows how adequate accuracy and precision are achieved for the intended use of the material.
Overview
The claims and statistics of this paper haven’t been checked yet.
Run the check — free, no account needed. It reads the open-access text and checks the sources it cites.
Integrity signals
Registry
Cites
Statistics
Verification
Claims the paper makes
The claims and statistics of this paper haven’t been checked yet.
Run the check — free, no account needed. It reads the open-access text and checks the sources it cites.
Self-check
Percentages, sums and reported differences re-computed from the paper’s own numbers.
The self-check needs the paper’s full text.
Citations
Cites
Resonance Absorption by Nuclear Magnetic Moments in a Solid
Purcell, E. M., Torrey, H. C., & Pound, R. V. (1946) · Physical Review · doi:10.1103/physrev.69.37 · Cited by 6,053
Bloch, F., Hansen, W. W., & Packard, M. (1946) · Physical Review · doi:10.1103/physrev.69.127 · Cited by 883
Validation of quantitative NMR
Malz, F., & Jancke, H. (2005) · Journal of Pharmaceutical and Biomedical Analysis · doi:10.1016/j.jpba.2005.01.043 · Cited by 651
Concentration Measurement by Proton NMR Using the ERETIC Method
Akoka, S., Barantin, L., & Trierweiler, M. (1999) · Analytical Chemistry · doi:10.1021/ac981422i · Cited by 519
Quantitative1H NMR: Development and Potential of a Method for Natural Products Analysis
Pauli, G. F., Jaki, B. U., & Lankin, D. C. (2005) · Journal of Natural Products · doi:10.1021/np0497301 · Cited by 518
Self-citationMeasuring Protein Concentrations by NMR Spectroscopy
Wider, G., & Dreier, L. (2006) · Journal of the American Chemical Society · doi:10.1021/ja055336t · Cited by 461
Field, H. J. (1988) · Cited by 383
Quantitative 1H NMR. Development and Potential of an Analytical Method: An Update
Pauli, G. F., Gödecke, T., Jaki, B. U., & Lankin, D. C. (2012) · Journal of Natural Products · doi:10.1021/np200993k · Cited by 371
Self-citation(1999) · Choice Reviews Online · doi:10.5860/choice.36-6288 · Cited by 333
Burton, I. W., Quilliam, M. A., & Walter, J. A. (2005) · Analytical Chemistry · doi:10.1021/ac048385h · Cited by 250
Separation Orthogonality in Temperature-Programmed Comprehensive Two-Dimensional Gas Chromatography
Venkatramani, C. J., Xu, J., & Phillips, J. B. (1996) · Analytical Chemistry · doi:10.1021/ac951048b · Cited by 147
A Routine Experimental Protocol for qHNMR Illustrated with Taxol
Pauli, G. F., Jaki, B. U., & Lankin, D. C. (2007) · Journal of Natural Products · doi:10.1021/np060535r · Cited by 134
Self-citationDounay, A. B., Anderson, M. D., Bechle, B. M., Campbell, B. M., Claffey, M. M., Evdokimov, A. G., Evrard, E., Fonseca, K. R., Gan, X., Ghosh, S., et al. (2012) · ACS Medicinal Chemistry Letters · doi:10.1021/ml200204m · Cited by 89
Purity−Activity Relationships of Natural Products: The Case of Anti-TB Active Ursolic Acid
Jaki, B. U., Franzblau, S. G., Chadwick, L. R., Lankin, D. C., Zhang, F., Wang, Y., & Pauli, G. F. (2008) · Journal of Natural Products · doi:10.1021/np800329j · Cited by 75
Self-citationAnalysis and Purification of Bioactive Natural Products: The AnaPurNa Study
Pauli, G. F., Chen, S., Friesen, J. B., McAlpine, J. B., & Jaki, B. U. (2012) · Journal of Natural Products · doi:10.1021/np300066q · Cited by 68
Self-citationNapolitano, J. G., Gödecke, T., Lankin, D. C., Jaki, B. U., McAlpine, J. B., Chen, S., & Pauli, G. F. (2013) · Journal of Pharmaceutical and Biomedical Analysis · doi:10.1016/j.jpba.2013.06.017 · Cited by 55
Self-citationStructure analytical methods for quantitative reference applications
Jancke, H., Malz, F., & Hässelbarth, W. (2005) · Accreditation and Quality Assurance · doi:10.1007/s00769-005-0004-9 · Cited by 48
Epiquinamide: A Poison That Wasn’t from a Frog That Was
Fitch, R. W., Sturgeon, G. D., Patel, S. R., Spande, T. F., Garraffo, H. M., Daly, J. W., & Blaauw, R. H. (2009) · Journal of Natural Products · doi:10.1021/np8005452 · Cited by 42
Tiainen, M., Soininen, P., & Laatikainen, R. (2014) · Journal of Magnetic Resonance · doi:10.1016/j.jmr.2014.02.008 · Cited by 37
Kang, M.-I., Henrich, C. J., Bokesch, H. R., Gustafson, K. R., McMahon, J. B., Baker, A. R., Young, M. R., & Colburn, N. H. (2009) · Molecular Cancer Therapeutics · doi:10.1158/1535-7163.mct-08-0811 · Cited by 19
Cited by
Metabolite Profiling and Classification of DNA-Authenticated Licorice Botanicals
Simmler, C., Anderson, J. R., Gauthier, L., Lankin, D. C., McAlpine, J. B., Chen, S.-N., & Pauli, G. F. (2015) · Journal of Natural Products · doi:10.1021/acs.jnatprod.5b00342 · Cited by 50
Self-citation
Metadata
- Authors
- Pauli, G. F., Chen, S.-N., Simmler, C., Lankin, D. C., Gödecke, T., Jaki, B. U., Friesen, J. B., McAlpine, J. B., & Napolitano, J. G.
- Venue
- Journal of Medicinal Chemistry
- Publisher
- American Chemical Society (ACS)
- Published
- 2014-10-08
- Volume
- 57
- Issue
- 22
- Pages
- 9220-9231
- ISSN
- 0022-2623 (ISSN-L)
- 1520-4804
- OpenAlex
- W2403854613
- Cited by
- 398
- References
- 20
- FWCI
- 7.48
- Type
- journal article
- Language
- en
- Open access
- hybrid
About these checks
Registry, retraction, Cites and statistics results are computed, not judged, with one exception: a printed reference that no index lists is read once by a model before it counts as a citation error. Claims are extracted by a model and kept only when their quote appears verbatim in the text; each cited source is then checked, with a model’s help, for whether it says what the claim relies on. Those verdicts can be wrong — read the claim’s quote and the cited source before relying on one.
Statistics and arithmetic are recomputed, not judged.
Confidence bands are shown only for fields calibrated on our annotated test set. None is calibrated yet, so no band is shown.
What counts as a claim ›How we measure confidence ›How we check this ›
Are you an author, or do you see a problem with this page? Request a review
Data sources
Bibliographic data: Semantic Scholar, OpenAlex, Crossref.
Contains information from the Semantic Scholar Academic Graph Datasets, made available under the ODC Attribution License (ODC-BY 1.0).
Semantic Scholar’s data is described in: Kinney, R., et al. (2023). The Semantic Scholar Open Data Platform. arXiv:2301.10140.
