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Search Publications by: Frank Delaglio (Fed)

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Displaying 1 - 25 of 46

SAND: automated time-domain modeling of NMR spectra applied to metabolite quantification

January 25, 2024
Author(s)
Yue Wu, Omid Sanati, Mario Uchimiya, Krish Krisnamurthy, Jonathan Wedell, Jeffrey C. Hoch, Arthur S. Edison, Frank Delaglio
Developments in untargeted nuclear magnetic resonance (NMR) metabolomics enable the profiling of thousands of bio-logical samples. Exploitation of this rich source of information requires detailed quantification of spectral features. How-ever, the

Monitoring Spectrometer Drift with Unsupervised Machine Learning

November 20, 2023
Author(s)
Benjamin Harding, Ziling Hu, Ashley Hiett, Frank Delaglio, Katherine Henzler- Wildman, Chad Rienstra
Solid-state NMR spectroscopy (SSNMR) is a powerful technique to probe structural and dynamic properties of molecules at an atomic level. Modern SSNMR methods employ multidimensional pulse sequences requiring data collection over a period of days to weeks

Interlaboratory Studies using the NISTmAb to Advance Biopharmaceutical Structural Analytics

May 5, 2022
Author(s)
Katharina Yandrofski, Trina Mouchahoir, M. Lorna De Leoz, David L. Duewer, Jeffrey W. Hudgens, Kyle Anderson, Luke Arbogast, Frank Delaglio, Robert Brinson, John Marino, Karen W. Phinney, Michael J. Tarlov, John E. Schiel
Biopharmaceuticals such as monoclonal antibodies are required to be rigorously characterized using a wide range of analytical methods. Various material properties must be characterized and well controlled to assure that clinically relevant features and

NUScon: A community-driven platform for quantitative evaluation of nonuniform sampling in NMR

November 25, 2021
Author(s)
Yulia Pustovalova, Frank Delaglio, Darien Craft, Hari Arthanari, Ad Bax, Martin Billeter, Mark Bostock, Hesam Dashti, Flemming Hansen, Sven Hyberts, Bruce Johnson, Krzysztof Kazimierczuk, Hengfa Lu, Mark W. Maciejewski, Tomas Miljenovic, Mehdi Mobli, Daniel Nietlispach, Vladislav Orekhov, Robert Powers, Xiaobo Qu, Scott Robson, David Rovnyak, Gerhard Wagner, Jinfa Ying, Matthew Zambrello, Jeffrey C. Hoch, David Donoho, Adam D. Schuyler
Although the concepts of non-uniform sampling (NUS) and non-Fourier spectral reconstruction in multidimensional NMR began to emerge four decades ago (Bodenhausen and Ernst, 1981; Barna and Laue, 1987), it is only relatively recently that NUS has become

Reducing the Measurement Time of Exact NOEs by Non-Uniform Sampling

September 3, 2020
Author(s)
Parker J. Nichols, Alexandra Born, Morkos A. Henen, Dean Strotz, David N. Jones, Frank Delaglio, Beat Vogeli
We have previously reported on the measurement of exact NOEs (eNOEs), which yield a wealth of additional information in comparison to conventional NOEs. We have used these eNOEs in a variety of applications, including calculating high-resolution structures

Principal Component Analysis for Automated Classification of 2D Spectra and Interferograms of Protein Therapeutics: Influence of Noise, Reconstruction Details, and Data Preparation

July 22, 2020
Author(s)
Robert Brinson, Wade Elliott, Luke Arbogast, David Sheen, John Giddens, John Marino, Frank Delaglio
Protein therapeutics must retain their proper three-dimensional fold without forming aggregates for safe and effective use in the clinic. Therefore, the ability to monitor protein higher order structure (HOS) can be valuable throughout the lifecycle of a