A5086065002- Mass Spectrometry Techniques and Applications
- Metabolomics and Mass Spectrometry Studies
- Crystallization and Solubility Studies
- X-ray Diffraction in Crystallography
- Analytical Chemistry and Chromatography
- Diet and metabolism studies
- Advanced Chemical Physics Studies
- Vibrio bacteria research studies
- Chemical Synthesis and Analysis
- Bacterial Genetics and Biotechnology
- Physiological and biochemical adaptations
- Microbial Community Ecology and Physiology
- Bacterial biofilms and quorum sensing
- Urinary Tract Infections Management
- Reproductive tract infections research
- Photochemistry and Electron Transfer Studies
- bioluminescence and chemiluminescence research
- Coral and Marine Ecosystems Studies
- Liver Disease Diagnosis and Treatment
- Aquaculture disease management and microbiota
- Lipid metabolism and biosynthesis
- Pelvic floor disorders treatments
- Molecular Junctions and Nanostructures
- Advanced Chemical Sensor Technologies
- Pharmacological Receptor Mechanisms and Effects
Indiana University Bloomington
2020-2025
Indiana University
2024
University of Washington
2013-2023
Abstract Diverse ecosystems host microbial relationships that are stabilized by nutrient cross-feeding. Cross-feeding can involve metabolites should hold value for the producer. Externalization of such communally valuable is often unexpected and difficult to predict. Previously, we discovered purine externalization Rhodopseudomonas palustris its ability rescue an Escherichia coli auxotroph. Here found E. auxotroph stably coexist with R. due We identified cross-fed as adenine. Adenine was...
The bacterial pathogen Vibrio coralliilyticus causes disease in coral species worldwide. mechanisms of V. colonization, microbiome interactions, and virulence factor production are understudied. In other model species, factors like biofilm formation, toxin secretion, protease controlled through a density-dependent communication system called quorum sensing (QS). Comparative genomics indicated that genomes share high sequence identity for most the QS signaling regulatory components identified...
Necrotizing enterocolitis (NEC) is a devastating disease of the neonatal gastrointestinal tract. Volatile organic compounds (VOCs), odoriferous released as byproduct bacterial metabolism, can be used proxy for gut health. We hypothesized that patients with NEC would have different microbial profiles and elicit VOC signatures assessed by gas chromatography/mass spectrometry (GC/MS) or an electronic nose compared to controls. Furthermore, we temperature sample storage length time in impact...
D-2-hydroxyglutarate (D-2HG) is a potent oncometabolite capable of disrupting chromatin architecture, altering metabolism, and promoting cellular dedifferentiation. As result, ectopic D-2HG accumulation induces neurometabolic disorders promotes progression multiple cancers. However, the disease-associated effects are dependent on genetic context. Specifically, neomorphic mutations in mammalian genes Isocitrate dehydrogenase 1 ( IDH1 ) IDH2 result production enzymes that inappropriately...
Demographic and clinical factors influence the metabolome. The discovery validation of disease biomarkers are often challenged by potential confounding effects from such factors. To address this challenge, we investigated magnitude correlation between serum urine metabolites demographic parameters in a well-characterized observational cohort 444 post-menopausal women participating Women’s Health Initiative (WHI). Using LC-MS lipidomics, measured 157 aqueous 756 lipid species across 13...
The combination of near-UV photodissociation with electron transfer and collisional activation provides a new tool for structure investigation isolated peptide ions reactive intermediates. Two types pulse experiments are reported. In the first one called UV/Vis photodissociation-electron dissociation (UVPD-ETD), diazirine-labeled shown to undergo in gas phase form covalent bonds, guided by ion conformation, products analyzed dissociation. second experiment, ETD-UVPD wherein synthetic labels...
Peptide fragment ions of the z-type were used as kinetic ion thermometers to gauge internal energy peptide cation-radicals produced by electron transfer in gas-phase. Electron dissociation (ETD)-produced z2 containing leucine residue, z2(Leu-Lys) and z2(Leu-Arg), found undergo spontaneous loss C3H7 that was monitored time-resolved measurements on time scale linear trap mass spectrometer. Kinetic modeling dissociations, including collisional cooling product neutralization, provided...
<h3>Importance</h3> Postmenopausal women with genitourinary symptoms of menopause are often prescribed vaginal estradiol or moisturizer for symptom improvement, but the impact these treatments on local microenvironment is poorly understood. <h3>Objective</h3> To compare changes in microbiota, metabolome, and pH among using low-dose tablet low gel 12-weeks vs placebo. <h3>Design, Setting, Participants</h3> This a post hoc prespecified secondary analysis 12-week multicenter randomized clinical...
Experimental data from ion mobility measurements and electron transfer dissociation were combined with extensive computational analysis of structures energetics for Gly-Leu-Gly-Gly-Lys cations cation radicals. collision cross sections (GLGGK + 2H)(2+) ions pointed to a dominant folding motif that is represented in all low free-energy structures. The local motifs preserved several fragment produced by dissociation. Gradient optimizations 2H)(+•) cation-radicals revealed energy minima...
We report the first example of using ultraviolet (UV) photodissociation action spectroscopy for investigation gas-phase peptide cation-radicals produced by electron transfer dissociation. z-Type fragment ions (●) Gly-Gly-Lys(+), coordinated to 18-crown-6-ether (CE), are generated, selected mass and photodissociated in 200-400 nm region. The UVPD spectra indicate presence valence-bond isomers differing position Cα radical defect, (α-Gly)-Gly-Lys(+) Gly-(α-Gly)-Lys(+) (CE)...
Vibrio campbellii BB120 (previously classified as harveyi) is a fundamental model strain for studying quorum sensing in vibrios. A phylogenetic evaluation of sequenced strains Genbank revealed that closely related to the environmental isolate V. DS40M4. We exploited DS40M4's competence exogenous DNA uptake rapidly generate greater than 30 isogenic with deletions genes encoding quorum-sensing system homologues. Our results show circuit DS40M4 distinct from three ways: (i) does not produce an...
Gas-phase conformations and electron transfer dissociations of pentapeptide ions containing the photo-Leu residue (L*) were studied. Exhaustive conformational search including molecular dynamics force-field, semi-empirical, ab initio, density functional theory calculations established that did not alter gas-phase (GL*GGK + 2H)2+ (GL*GGK-NH2 H)+ ions, which showed same conformer energy ranking as unmodified Leu-containing ions. This finding is significant in it simplifies analysis...
Ab initio molecular dynamics (AIMD) with density functional theory (DFT) was applied to explore conformational motions and collision cross sections (Ω) of folded (2) extended (7) conformers doubly charged peptide ions, (Ala–Ala–Leu–Arg + 2H)2+, in the gas phase at 300 473 K. The experimental Ω +2H)2+ measured as 149 ± 1.2 Å2 298 Thermally distributed mean values for 2 7 K were only 0.8–1.1% larger than equilibrium 0 structures. Long (>10 ps) trajectory calculations indicated entropy-driven...
Heptapeptide ions containing combinations of polar Lys, Arg, and Asp residues with non-polar Leu, Pro, Ala, Gly were designed to study effects on gas-phase ion conformations. Doubly triply charged studied by mobility mass spectrometry electron structure theory using correlated ab initio density functional methods found exhibit tightly folded 3D structures in the gas phase. Manipulation basic residue positions LKGPADR, LRGPADK, KLGPADR, RLGPADK resulted only minor changes collision cross...
Electron transfer to doubly and triply charged heptapeptide ions containing polar residues Arg, Lys, Asp in combination with nonpolar Gly, Ala, Pro or Leu generates stable metastable charge-reduced ions, (M + 2H)+●, addition standard electron-transfer dissociation (ETD) fragment ions. The 2H)+● spontaneously dissociate upon resonant ejection from the linear ion trap, giving irregularly shaped peaks offset m/z values. fractions of their mass shifts depend on presence Pro-4 Leu-4 peptides,...
Thirdhand smoke (THS) is the accumulation of secondhand on surfaces that ages with time. THS exposure a potential health threat to children, partners smokers, and workers in environments current or past smoking, needs further investigation. In this study, we hypothesized thirdhand Electronic Nicotine Delivery Systems (ENDS) exposures elicit lung systemic inflammation due resuspended particulate matter (PM) inorganic compounds remain after active vaping has ceased. To test our hypothesis,...
ABSTRACT The bacterial pathogen Vibrio coralliilyticus ( Vcor ) causes disease in coral species worldwide. mechanisms of colonization, microbiome interactions, and virulence factor production are understudied. In other model species, factors like biofilm formation, toxin secretion, protease controlled through a density-dependent communication system called quorum sensing (QS). Comparative genomics indicated that V. genomes share high sequence identity for most the QS signaling regulatory...
The mitochondrial enzyme L-2-hydroxyglutarate dehydrogenase (L2HGDH) regulates the abundance of (L-2HG), a potent signaling metabolite capable influencing chromatin architecture, metabolism, and cell fate decisions. Loss L2hgdh activity in humans induces ectopic L-2HG accumulation, resulting neurodevelopmental defects, altered immune function, enhanced growth clear renal carcinomas. To better understand molecular mechanisms that underlie these disease pathologies, we used fruit fly...
Electron transfer to gas-phase peptide ions with diazirine-containing amino acid residue photoleucine (L*) triggers diazirine ring reduction followed by cascades of residue-specific radical reactions. Upon electron transfer, substantial fractions (GL*GGR +2H)+● cation-radicals undergo elimination [NH4O] radicals and N2H2 molecules from the side chain. The side-chain dissociations are particularly prominent on collisional activation long-lived formed dissociation noncovalent...
As the fruit fly, Drosophila melanogaster, progresses from one life stage to next, many of enzymes that compose intermediary metabolism undergo substantial changes in both expression and activity. These predictable shifts metabolic flux allow fly meet stage-specific requirements for energy production biosynthesis. In this regard, enzyme glycerol-3-phosphate dehydrogenase 1 (GPDH1) has been focus biochemical genetics studies several decades and, as a result, is most well-characterized...