A5031131006- Geophysics and Gravity Measurements
- Ionosphere and magnetosphere dynamics
- Methane Hydrates and Related Phenomena
- Earthquake Detection and Analysis
- Seismic Waves and Analysis
- Astrophysics and Cosmic Phenomena
- Solar and Space Plasma Dynamics
- Metabolomics and Mass Spectrometry Studies
- Advanced Chemical Sensor Technologies
- Analytical Chemistry and Chromatography
- Traditional Chinese Medicine Studies
- Isotope Analysis in Ecology
- Plant Water Relations and Carbon Dynamics
- Microbial Metabolic Engineering and Bioproduction
- Gut microbiota and health
- Plant Stress Responses and Tolerance
- Genetics, Aging, and Longevity in Model Organisms
- Biofuel production and bioconversion
- Mass Spectrometry Techniques and Applications
- Plant and animal studies
- Bioinformatics and Genomic Networks
- Microbial Community Ecology and Physiology
- Plant responses to elevated CO2
- Fungal and yeast genetics research
- Cancer, Lipids, and Metabolism
Environmental Molecular Sciences Laboratory
2021-2025
Pacific Northwest National Laboratory
2021-2025
The Metabolomics Innovation Centre
2024
Battelle
2023
University of Florida
2013-2021
Georgia Institute of Technology
2017-2019
AID Atlanta
2017
Invasive plants threaten global ecosystems, yet traditional analyses of functional traits cannot fully explain their dominance over co-occurring natives. Metabolomics offers insights into plant invasions, but single-technique studies often miss critical biochemical mechanisms. We employ a multimodal metabolomics approach (¹H NMR, LC MS/MS, FT-ICR-MS, and MALDI-MSI) to investigate the basis Lehmann lovegrass (Eragrostis lehmanniana) invasion in semi-arid North America, comparing it with...
13C NMR has many advantages for a metabolomics study, including large spectral dispersion, narrow singlets at natural abundance, and direct measure of the backbone structures metabolites. However, it not had widespread use because its relatively low sensitivity compounded by abundance. Here we demonstrate utility high-quality spectra obtained using custom 13C-optimized probe on metabolomic mixtures. A workflow was developed to statistical correlations between replicate 1D 1H spectra, leading...
Abstract The leaf-cutter ant fungal garden ecosystem is a naturally evolved model system for efficient plant biomass degradation. Degradation processes mediated by the symbiotic fungus Leucoagaricus gongylophorus are difficult to characterize due dynamic metabolisms and spatial complexity of system. Herein, we performed microscale imaging across 12-µm-thick adjacent sections Atta cephalotes gardens applied metabolome-informed proteome approach map lignin This combines two multiomics mass...
Plant survival during environmental stress greatly affects ecosystem carbon (C) cycling, and plant-microbe interactions are central to plant survival. The release of C-rich root exudates is a key mechanism plants use manage their microbiome, attracting beneficial microbes and/or suppressing harmful help withstand stress. However, critical knowledge gap how alter exudate concentration composition under varying levels. In greenhouse study, we imposed three drought treatments (control, mild,...
Fungi play a critical role in the global carbon cycle by degrading plant polysaccharides to small sugars and metabolizing them as energy sources. We mapped well-established sugar metabolic network of Aspergillus niger five taxonomically distant species (Aspergillus nidulans, Penicillium subrubescens, Trichoderma reesei, Phanerochaete chrysosporium Dichomitus squalens) using an orthology-based approach. The diversity metabolism correlates well with taxonomic distance fungi. pathways are...
Understanding of how soil organic matter (SOM) chemistry is altered in a changing climate has advanced considerably; however, most SOM components remain unidentified, impeding the ability to characterize major fraction and predict what types molecules, from which sources, will persist soil. We present novel approach better extracts by integrating information three analyses, we deploy this method decaying root-detritus microcosms subjected either drought or normal conditions. To observe broad...
We demonstrate the global metabolic analysis of Caenorhabditis elegans stress responses using a mass-spectrometry-based technique called isotopic ratio outlier (IROA). In an IROA protocol, control and experimental samples are isotopically labeled with 95 5% 13C, two sample populations mixed together for uniform extraction, preparation, LC-MS analysis. This labeling strategy provides several advantages over conventional approaches: (1) compounds arising from biosynthesis easily distinguished...
The many advantages of (13)C NMR are often overshadowed by its intrinsically low sensitivity. Given that carbon makes up the backbone most biologically relevant molecules, offers a straightforward measurement these compounds. Two-dimensional (13)C-(13)C correlation experiments like INADEQUATE (incredible natural abundance double quantum transfer experiment) ideal for structural elucidation products and have great but untapped potential metabolomics analysis. We demonstrate new semiautomated...
Technological advances in mass spectrometry (MS), liquid chromatography (LC) separations, nuclear magnetic resonance (NMR) spectroscopy, and big data analytics have made possible studying metabolism at an "omics" or systems level. Here, we applied a multiplatform (NMR + LC–MS) metabolomics approach to the study of preoperative metabolic alterations associated with prostate cancer recurrence. Thus far, predicting which patients will recur even after radical prostatectomy has not been...
Background: Isotopic Ratio Outlier Analysis (IROA) is an untargeted metabolomics method that uses stable isotopic labeling and LC-HRMS for identification relative quantification of metabolites in a biological sample under varying experimental conditions. Objective: We demonstrate using high-sensitivity 13C NMR to identify unknown metabolite isolated from fractionated material IROA experiment. Methods: samples the nematode Caenorhabditis elegans were 5 repeated injections collecting 30 sec...
As metabolomics grows into a high-throughput and high demand research field, current metrics for the identification of small molecules in gas chromatography–mass spectrometry (GC–MS) still require manual verification. Though steps have been taken to improve scoring by combining spectral similarity (SS) retention index (RI), problem persists. A large body literature has analyzed refined SS scores, but few studies explicitly studied improvements RI scores. Here, we examined whether...
Deuterium is one of the few stable isotopes that have capacity to significantly alter a compound's chemical and biological properties. The addition single neutron protium atom results in near doubling its mass, which gives rise deuterium's characteristic isotope effects. Since incorporation deuterium into organic substrates known enzyme/protein-substrate interactions, we tested extent enrichment would modify fungal secondary metabolite production. Several cultures were tested, all cases...
The filamentous ascomycete Aspergillus niger has received increasing interest as a cell factory, being able to efficiently degrade plant wall polysaccharides well having an extensive metabolism convert the released monosaccharides into value added compounds. pentoses D -xylose and L -arabinose are most abundant in biomass after hexose -glucose, major constituents of xylan, pectin xyloglucan. In this study, influence selected pentose catabolic pathway (PCP) deletion strains on growth...
Matrix-assisted laser desorption/ionization mass spectrometric imaging (MALDI-MSI) is a technique that records spectra as function of position across biological tissue sample, yielding images chemical distribution. Until now, MALDI-MSI has typically been performed on thinly sliced sections are coated with UV-absorbing matrix. We have developed protocols to apply chemically interrogate intact Caenorhabditis elegans, nematode approximately 1-mm in length. C. elegans model organism numerous...
The ability to reliably identify small molecules (e.g., metabolites) is key toward driving scientific advancement in metabolomics. Gas chromatography-mass spectrometry (GC-MS) an analytic method that may be applied facilitate this process. typical GC-MS identification workflow involves quantifying the similarity of observed sample spectrum and other features retention index) several references, noting compound best-matching reference as identified metabolite. While a deluge metrics exist,...
High temperatures alter the thermal sensitivities of numerous physiological and biochemical processes that impact tree growth productivity. Foliar root applications methanol have been implicated in plant acclimation to high temperature via C1 pathway. Here, we characterized at 35 °C leaf gas exchange, chlorophyll fluorescence, extractable metabolites potted Populus trichocarpa saplings examined potential influences mM concentrations added during soil watering over a two-month period....
Metabolomics provides a unique snapshot into the world of small molecules and complex biological processes that govern human, animal, plant, environmental ecosystems encapsulated by One Health modeling framework. However, this “molecular snapshot” is only as informative number metabolites confidently identified within it. The spectral similarity (SS) score traditionally used to identify compound(s) in mass spectrometry approaches metabolomics, where spectra are matched reference libraries...
Mass spectrometry is broadly employed to study complex molecular mechanisms in various biological and environmental fields, enabling 'omics' research such as proteomics, metabolomics, lipidomics. As cohorts grow larger more with dozens hundreds of samples, the need for robust quality control (QC) measures through automated software tools becomes paramount ensure integrity, high quality, validity scientific conclusions from downstream analyses minimize waste resources. Since existing QC are...