Evidence map›Paper›PMID 25295852›Full record

ReviewJournal of medicinal chemistry2014

Importance of purity evaluation and the potential of quantitative ¹H NMR as a purity assay.

Guido F Pauli, Shao-Nong Chen, Charlotte Simmler, David C Lankin, Tanja Gödecke, Birgit U Jaki, J Brent Friesen, James B McAlpine, José G Napolitano

Erratum issuedAbstract readReview
In one paragraph

Review in Journal of medicinal chemistry, 2014. The graph could read no effect estimate from its abstract, so it casts no vote on the map. An erratum has been issued. Cited by 136 papers.

0numbers the graph read from it
0cells of the map it votes in
136citing papers in PubMed
–field-weighted citation impact
1 · What the graph read from it

What it found

Each row is one number read from the abstract, on the scale the paper reported it, with its interval. Left of the dashed line favours the treatment, right favours the comparator. Under each row is the sentence it came from. New to these charts? A ten-minute tutorial.

The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.

2 · The registry

The trial behind it

Trials whose registry record cites this paper, or whose number appears in the abstract. A trial that started after this paper was published is citing it as background, not reporting it.

Neither the registry nor the abstract names a trial number. If this is a trial report, that itself is worth knowing.

3 · Its place in the literature

Who cites it

136 citing papers in PubMed.

  1. Article
  2. Article
  3. Article
  4. Article
  5. Review
  6. Article
  7. Article
  8. QuantitativeMolecules (Basel, Switzerland) · 2026
    Review
  9. Review
  10. Article
  11. Review
  12. NMR-Based Quantification of Collagen Content in Protein Hydrolysates.Journal of agricultural and food chemistry · 2026
    Article
  13. Article
  14. Article
  15. Review
  16. Article
  17. Article
  18. Article
  19. Article
  20. Article

76 more citing papers are in PubMed but not listed here.

4 · The record

Corrections and comments

5 · Who and what money

Authors and funding

9 authors.

Guido F PauliDepartment of Medicinal Chemistry and Pharmacognosy and ‡Institute for Tuberculosis Research, College of Pharmacy, University of Illinois at Chicago , 833 S. Wood Street, Chicago, Illinois 60612, United States.
Shao-Nong Chen
Charlotte Simmler
David C Lankin
Tanja Gödecke
Birgit U Jaki
J Brent Friesen
James B McAlpine
José G Napolitano

Funding

Van Breemen: Project 3; Botanical Dietary Supplements - Metabolism and Safety in Women (Van Breemen)P50AT000155 · NCCIH · UNIVERSITY OF ILLINOIS AT CHICAGO · PI PAULI, GUIDO F · 1999 to 2019
$30.4M
900MHz NMR for Structural Biology in ChicagoP41GM068944 · NIGMS · UNIVERSITY OF ILLINOIS AT CHICAGO · PI GETTINS, PETER G.W. · 2003 to 2007
$6.2M
Spectrometric Validation of Botanical Materials and Reference StandardsRC2AT005899 · NCCIH · UNIVERSITY OF ILLINOIS AT CHICAGO · PI PAULI, GUIDO F · 2009 to 2010
$1.2M
Automated technology for purification of active ingredients in natural productsR44AT004534 · NCCIH · WRIGHTWOOD TECHNOLOGIES INC. · PI PAULI, GUIDO F, PRO, SAMUEL MICHAEL · 2010 to 2011
$745k
Development of a transformative approach to the rapid detection, isolation, and iR21AI093919 · NIAID · UNIVERSITY OF ILLINOIS AT CHICAGO · PI JAKI, BIRGIT URSULA · 2012 to 2013
$401k
NCCIH NIH HHS P50 AT000155NCCIH NIH HHS P50 AT00155NCCIH NIH HHS R44 AT004534NCCIH NIH HHS RC2 AT005899NCCIH NIH HHS RC2AT005899NIAID NIH HHS R21 AI093919NIGMS NIH HHS P41 GM068944
6 · The paper itself

Abstract

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.

Indexed as

CalibrationChemistry, PharmaceuticalChromatographyDrug ContaminationMagnetic Resonance SpectroscopyReference StandardsReproducibility of ResultsTechnology, Pharmaceutical

Identifiers

PMID25295852
PMCPMC4255677

What OpenQuestion holds

Textmetadata
Read underepoch 390

Registered trials

None linked

Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.