Multivariate Analysis of Two-Dimensional 1H, 13C Methyl NMR Spectra of Monoclonal Antibody Therapeutics To Facilitate Assessment of Higher Order Structure Article Swipe
Luke W. Arbogast
,
Frank Delaglio
,
John E. Schiel
,
John P. Marino
·
YOU?
·
· 2017
· Open Access
·
· DOI: https://doi.org/10.1021/acs.analchem.7b03571
YOU?
·
· 2017
· Open Access
·
· DOI: https://doi.org/10.1021/acs.analchem.7b03571
Two-dimensional (2D) 1H-13C methyl NMR provides a powerful tool to probe the higher order structure (HOS) of monoclonal antibodies (mAbs), since spectra can readily be acquired on intact mAbs at natural isotopic abundance, and small changes in chemical environment and structure give rise to observable changes in corresponding spectra, which can be interpreted at atomic resolution. This makes it possible to apply 2D NMR spectral fingerprinting approaches directly to drug products in order to systematically characterize structure and excipient effects. Systematic collections of NMR spectra are often analyzed in terms of the changes in specifically identified peak positions, as well as changes in peak height and line widths. A complementary approach is to apply principal component analysis (PCA) directly to the matrix of spectral data, correlating spectra according to similarities and differences in their overall shapes, rather than according to parameters of individually identified peaks. This is particularly well-suited for spectra of mAbs, where some of the individual peaks might not be well resolved. Here we demonstrate the performance of the PCA method for discriminating structural variation among systematic sets of 2D NMR fingerprint spectra using the NISTmAb and illustrate how spectral variability identified by PCA may be correlated to structure.
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- Type
- article
- Language
- en
- Landing Page
- https://doi.org/10.1021/acs.analchem.7b03571
- OA Status
- green
- Cited By
- 72
- References
- 26
- Related Works
- 10
- OpenAlex ID
- https://openalex.org/W2760169708
All OpenAlex metadata
Raw OpenAlex JSON
- OpenAlex ID
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https://openalex.org/W2760169708Canonical identifier for this work in OpenAlex
- DOI
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https://doi.org/10.1021/acs.analchem.7b03571Digital Object Identifier
- Title
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Multivariate Analysis of Two-Dimensional 1H, 13C Methyl NMR Spectra of Monoclonal Antibody Therapeutics To Facilitate Assessment of Higher Order StructureWork title
- Type
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articleOpenAlex work type
- Language
-
enPrimary language
- Publication year
-
2017Year of publication
- Publication date
-
2017-09-22Full publication date if available
- Authors
-
Luke W. Arbogast, Frank Delaglio, John E. Schiel, John P. MarinoList of authors in order
- Landing page
-
https://doi.org/10.1021/acs.analchem.7b03571Publisher landing page
- Open access
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YesWhether a free full text is available
- OA status
-
greenOpen access status per OpenAlex
- OA URL
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https://www.ncbi.nlm.nih.gov/pmc/articles/5886730Direct OA link when available
- Concepts
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Chemistry, NMR spectra database, Monoclonal antibody, Spectral line, Nuclear magnetic resonance spectroscopy, Analytical Chemistry (journal), Stereochemistry, Chromatography, Antibody, Physics, Astronomy, Biology, ImmunologyTop concepts (fields/topics) attached by OpenAlex
- Cited by
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72Total citation count in OpenAlex
- Citations by year (recent)
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2025: 6, 2024: 2, 2023: 11, 2022: 12, 2021: 6Per-year citation counts (last 5 years)
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26Number of works referenced by this work
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10Other works algorithmically related by OpenAlex
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