Quantitative analysis in pharmacy and pharmaceutical chemistry by nuclear magnetic resonance spectroscopy

Rackham, David M.

doi:10.1016/0039-9140(70)80132-1

Cited by 16 publications

(6 citation statements)

References 29 publications

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“…Following cross references in recent publications, previously unnoticed qHNMR reports were discovered while preparing this review and shall be given credit as very early reports on qNMR applications. This includes work from the period 1963–1976 on the use of an internal standard such as caffeine ( 1 ) for calibration (see definition of calibration standards below, in the Reference and Calibration Standards section) in pharmaceutical analysis, − as well as two reviews on the topic by Rackham, , which covered the literature until 1975. An early report of qNMR in pharmacognosy research by Hiltunen et al described the use of this method for atropine ( 2 ) and scopolamine ( 3 ) analysis in Solanaceous leaves at a field strength equivalent to 200 MHz for 1 H and noted that the magnetic field strength employed was insufficient for the quantitation of anthraquinones [e.g., sennoside ( 4 )] in Senna extracts …”

Section: Introductionmentioning

confidence: 99%

Quantitative ¹H NMR. Development and Potential of an Analytical Method: An Update

et al. 2012

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Covering the literature from mid-2004 until the end of 2011, this review continues a previous literature overview on quantitative 1 H NMR (qHNMR) methodology and its applications in the analysis of natural products. Among the foremost advantages of qHNMR is its accurate function with external calibration, the lack of any requirement for identical reference materials, a high precision and accuracy when properly validated, and an ability to quantitate multiple analytes simultaneously. As a result of the inclusion of over 170 new references, this updated review summarizes a wealth of detailed experiential evidence and newly developed methodology that supports qHNMR as a valuable and unbiased analytical tool for natural product and other areas of research.

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Section: Introductionmentioning

confidence: 99%

Quantitative ¹H NMR. Development and Potential of an Analytical Method: An Update

et al. 2012

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“…Te standard does not have to share its identity with any of the analytes of interest. Tis key feature makes quantitative NMR an extremely versatile technique, and numerous applications for the quantitative analysis of pharmaceutical compounds have been proposed over the decades [6,[11][12][13][14][15][16][17][18][19][20][21][22][23]. Te majority of the described experiments are 1D liquid state, but 2D and CPMAS experiments have also been proposed.…”

Section: Introductionmentioning

confidence: 99%

Quantitative NMR Interpretation without Reference

Santana

Almeida

França

et al. 2022

Journal of Analytical Methods in Chemistry

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As has been documented numerous times over the years, nuclear magnetic resonance (NMR) experiments are intrinsically quantitative. Still, quantitative NMR methods have not been widely adopted or largely introduced into pharmacopoeias. Here, we describe the quantitative interpretation of the 1D proton NMR experiment using only absolute signal intensities with the variation of common experimental parameters and their application.

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“…NMR can be used to analyze samples that are in liquid state, solid state, or something between the two (such as tissues, gels, cells, etc.). [ 2–9 ] Its intrinsic quantitative nature is increasingly being exploited in areas ranging from complex mixture analysis (as in metabolomics, food sciences, and reaction monitoring), to Quality Assurance/Control (QA/QC). A recent review on quantitative NMR [ 10 ] comprehensively discusses its unique and robust nature in a variety of applications.…”

Section: Introductionmentioning

confidence: 99%

Complete Reduction to Amplitude Frequency Table (CRAFT)—A perspective

Krishnamurthy¹

2021

Magnetic Reson in Chemistry

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The CRAFT (Complete Reduction to Amplitude Frequency Table) technique, based on Bayesian analysis approach, converts FID and/or interferogram (time domain) to a frequency‐amplitude table (tabular domain) in a robust, automated, and time‐efficient fashion. This mini review/perspective presents an introduction to CRAFT as a processing workflow followed by a discussion of several practical 1D and 2D examples of its applicability and associated benefit. CRAFT provides high quality quantitative results for complex systems without any need for conventional preprocessing steps, such as phase and baseline corrections. Two‐dimensional time domain data are typically truncated, particularly in the evolution dimension, and conventional processing after zero‐filling and t1max‐matched apodization masks potentially available peak resolution. The line broadening introduced by extensive zero‐filling and severe apodization functions leads to the lack of clear resolution of cross peaks. CRAFT decimation of interferograms, on the other hand, requires minimal or no apodization prior to extraction of the NMR parameters and significantly improves the spectral linewidth of the cross peaks along F1 dimension compared to conventional (FT) processing. The tabular representation of the CRAFT2d cross peaks information can be visualized in a variety of frequency domain formats for conventional spectral interpretation as well as quantitative applications. A simple workflow to generate in silico oversampled interferogram (iSOS) is presented, and its potential benefit in CRAFT decimation of highly crowded 2D NMR is demonstrated. This report is meant as a collective thesis to present a potentially new paradigm in data processing that questions the need for hitherto unchallenged preprocessing steps, such as phase and baseline correction in 1D and zero‐fill/severe apodization in 2D.

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Quantitative analysis in pharmacy and pharmaceutical chemistry by nuclear magnetic resonance spectroscopy

Cited by 16 publications

References 29 publications

Quantitative ¹H NMR. Development and Potential of an Analytical Method: An Update

Quantitative ¹H NMR. Development and Potential of an Analytical Method: An Update

Quantitative NMR Interpretation without Reference

Complete Reduction to Amplitude Frequency Table (CRAFT)—A perspective

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Quantitative analysis in pharmacy and pharmaceutical chemistry by nuclear magnetic resonance spectroscopy

Cited by 16 publications

References 29 publications

Quantitative 1H NMR. Development and Potential of an Analytical Method: An Update

Quantitative 1H NMR. Development and Potential of an Analytical Method: An Update

Quantitative NMR Interpretation without Reference

Complete Reduction to Amplitude Frequency Table (CRAFT)—A perspective

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Product

Resources

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Quantitative ¹H NMR. Development and Potential of an Analytical Method: An Update

Quantitative ¹H NMR. Development and Potential of an Analytical Method: An Update