A5047382666- Ionosphere and magnetosphere dynamics
- Geophysics and Gravity Measurements
- Methane Hydrates and Related Phenomena
- Earthquake Detection and Analysis
- Mass Spectrometry Techniques and Applications
- Seismic Waves and Analysis
- Metabolomics and Mass Spectrometry Studies
- Analytical Chemistry and Chromatography
- Isotope Analysis in Ecology
- Ion-surface interactions and analysis
- Protein Structure and Dynamics
- Connexins and lens biology
- Molecular spectroscopy and chirality
- Advanced Proteomics Techniques and Applications
- Odor and Emission Control Technologies
- Time Series Analysis and Forecasting
- Spectroscopy and Quantum Chemical Studies
- Amino Acid Enzymes and Metabolism
- Biochemical effects in animals
- Bone Metabolism and Diseases
- Scientific Computing and Data Management
- NMR spectroscopy and applications
- Indoor Air Quality and Microbial Exposure
- Sulfur Compounds in Biology
- S100 Proteins and Annexins
Pacific Northwest National Laboratory
2021-2024
George Fox University
2023
University of Oregon
2014-2022
Battelle
2021
Eugene Research Institute
2014-2019
Instituto de Ciencia de Materiales de Sevilla
2014
Ion mobility-mass spectrometry (IM-MS) can be a powerful tool for determining structural information about ions in the gas phase, from small covalent analytes to large, native-like or denatured proteins and complexes. For large biomolecular ions, which may have wide variety of possible gas-phase conformations multiple charge sites, quantitative, physically explicit modeling collisional cross sections (CCSs) comparison IMS data challenging time-consuming. We present "trajectory method" (TM)...
Abstract Ion mobility (IM) mass spectrometry provides structural information about protein shape and size in the form of an orientationally-averaged collision cross-section (CCS IM ). While data have been used with various computational methods, they not yet utilized to predict monomeric structure from sequence. Here, we show that can significantly improve determination using modelling suite Rosetta. We develop Rosetta Projection Approximation Rough Circular Shapes (PARCS) algorithm allows...
Supercharging electrospray ionization can be a powerful tool for increasing charge states in mass spectra and generating unfolded ion structures, yet key details of its mechanism remain unclear. The structures highly extended protein ions the supercharging were investigated using mobility-mass spectrometry. Head-to-tail-linked polyubiquitins (Ubq1-11) used to determine size state scaling laws formed by while eliminating amino acid composition as potential confounding factor. Collisional...
Overall energy deposition in surface-induced unfolding of protein ions is studied with a combination experimental and theoretical methods.
The S100 proteins are a large family of signaling that play critical roles in biology and disease. Many bind Zn2+, Cu2+, and/or Mn2+ as part their biological functions; however, the evolutionary origins binding remain obscure. One key question is whether divalent transition metal ancestral, or instead arose independently on multiple lineages. To tackle this question, we combined phylogenetics with biophysical characterization modern proteins. We demonstrate an earlier origin for established...
Ion mobility–mass spectrometry has emerged as a powerful tool for interrogating wide variety of chemical systems. Collision-induced unfolding (CIU), typically performed in time-of-flight instruments, been utilized to obtain valuable qualitative insight into protein structure and illuminate subtle differences between related species. CIU experiments can be relatively quickly, but energy information obtained from them not yet interpreted quantitatively. While several methods determine...
The unanticipated discovery of recent ultra-high-resolution ion mobility spectrometry (IMS) measurements revealing that isotopomers─compounds differ only in the isotopic substitution sites─can be separated has raised questions as to physical basis for their separation. A study comparing IMS separations two isotopomer sets conjunction with theory and simulations accounting rotational effects provides first-ever prediction rotation-mediated shifts. produce observable shifts due differences...
Detection of arrival time shifts between ion mobility spectrometry (IMS) separations can limit achievable resolving power (Rp), particularly when multiple are summed or averaged, as commonly practiced in IMS. Such variations be apparent higher Rp measurements and evident long path length traveling wave structures for lossless manipulations (SLIM) IMS due to their typically much longer separation times. Here, we explore data processing approaches employing single value alignment (SVA)...
A bioluminescent method for measuring <sc>d</sc>-amino acid oxidase (DAO) activity was developed based on the luciferin/luciferase reporting platform.
Volatile organic compound (VOC) emissions from indoor sources are large determinants of the air quality (IAQ) and occupant health. Cross-laminated timber (CLT) is a panelized engineered wood product often left exposed as an interior surface finish. As certified structural building product, CLT currently exempt meeting VOC emission limits for composite products confirming through California Department Public Health (CDPH) Standard Method testing. In this study, small chamber testing was...
Modern mass spectrometry-based workflows employing hybrid instrumentation and orthogonal separations collect multidimensional data, potentially allowing deeper understanding in omics studies through adoption of artificial intelligence methods. However, the large volume these rich spectra challenges existing data storage access technologies, therefore precluding informatics advancements. We present MZA (pronounced m-za), mass-to-charge (m/z) generic tool designed to facilitate software...
Quadrupole ion mobility time-of-flight (Q-IM-TOF) mass spectrometers have revolutionized investigation of native biomolecular complexes. High pressures in the sources these instruments aid transmission protein complexes through damping kinetic energy by collisional cooling. As adducts are removed heating (declustering), excessive cooling can prevent removal nonspecific from ions, leading to inaccurate measurements, broad spectral peaks, and obfuscation ligand binding. We show that reducing...
Abstract Among a wide variety of mass spectrometry (MS) methodologies available for structural characterizations proteins, ion mobility (IM) provides information about protein shape and size in the form an orientationally averaged collision cross-section (CCS). While IM data have been predominantly employed assessment complexes, CCS from experiments not yet used to predict tertiary structure sequence. Here, we are showing that can significantly improve determination using modeling suite...