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Award Abstract # 2137575
LEAPS-MPS: Artificial Intelligence Techniques for Automatic NMR Metabolomics Data Processing

NSF Org: CHE
Division Of Chemistry
Recipient: NORTH CAROLINA AGRICULTURAL AND TECHNICAL STATE UNIVERSITY
Initial Amendment Date: September 7, 2021
Latest Amendment Date: July 26, 2022
Award Number: 2137575
Award Instrument: Continuing Grant
Program Manager: Anne-Marie Schmoltner
CHE
 Division Of Chemistry
MPS
 Directorate for Mathematical and Physical Sciences
Start Date: September 15, 2021
End Date: November 30, 2022 (Estimated)
Total Intended Award Amount: $248,613.00
Total Awarded Amount to Date: $248,613.00
Funds Obligated to Date: FY 2021 = $43,333.00
FY 2022 = $0.00
History of Investigator:
  • Bo Wang (Principal Investigator)
    bwang@fit.edu
Recipient Sponsored Research Office: North Carolina Agricultural & Technical State University
1601 E MARKET ST
GREENSBORO
NC  US  27411
(336)334-7995
Sponsor Congressional District: 06
Primary Place of Performance: North Carolina Agricultural & Technical State University
NC  US  27411-0001
Primary Place of Performance
Congressional District:
06
Unique Entity Identifier (UEI): SKH5GMBR9GL3
Parent UEI:
NSF Program(s): OFFICE OF MULTIDISCIPLINARY AC,
BROADENING PARTICIPATION
Primary Program Source: 01002223DB NSF RESEARCH & RELATED ACTIVIT
010V2122DB R&RA ARP Act DEFC V
Program Reference Code(s): 102Z, 9263
Program Element Code(s): 125300, 748700
Award Agency Code: 4900
Fund Agency Code: 4900
Assistance Listing Number(s): 47.049

ABSTRACT

This award is funded in part under the American Rescue Plan Act of 2021 (Public Law 117-2). In this project, funded by the Mathematical and Physical Sciences Directorate and the Chemistry Division, Professor Bo Wang and his students at North Carolina Agricultural & Technical State University (NCAT) will develop tools for analysis of chemical data that would be easier to apply for non-specialists. The data are related to environmental and health studies and will be obtained using Nuclear Magnetic Resonance (NMR) methods. The novel way of data processing will use artificial intelligence (AI) methods. This research could have significant impacts on health monitoring by providing fast analysis of complicated data sets. The research is likely to inspire students at the PI's institution, which is a Historically Black College or University (HBCU). Prof. Wang?s plans for broadening participation in STEM by underrepresented minority (URM) students include introducing students to applied data science and AI methods, which are very marketable job skills but are not taught regularly at the undergraduate level. Opportunities for independent interdisciplinary research projects will be provided and a new course will be developed.

The identification of metabolites will be improved using AI techniques applied to analysis of 1D and 2D NMR data. NMR has high instrument reliability, but there is a common problem of data overfitting. This new method will provide improved ways for extracting peaks in complex spectra. Training data are freely available from published literature and Prof. Wang?s own studies, and the method will be tested with data recorded by Professor Wang?s group. Methods developed will help make metabolomics and other sophisticated NMR-based research accessible to a broader range of scientists. This research will be integrated with education through course and curriculum development, and the introduction of an educational website. Summer workshops will also be conducted.
ucted.

This award reflects NSF's statutory mission and has been deemed worthy of support through evaluation using the Foundation's intellectual merit and broader impacts review criteria.

PUBLICATIONS PRODUCED AS A RESULT OF THIS RESEARCH

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Jiang, Lin and Sullivan, Hunter and Wang, Bo "Principal Component Analysis (PCA) Loading and Statistical Tests for Nuclear Magnetic Resonance (NMR) Metabolomics Involving Multiple Study Groups" Analytical Letters , v.55 , 2022 https://doi.org/10.1080/00032719.2021.2019758 Citation Details
Wang, Bo and Habermehl, Calypso and Jiang, Lin "Metabolomic analysis of honey bee ( Apis mellifera L.) response to glyphosate exposure" Molecular Omics , 2022 https://doi.org/10.1039/D2MO00046F Citation Details

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