Erin Marie Baker
ion mobility spectrometry
Works (179)
Updated: December 14th, 2024 05:02
2024 journal article
Evaluating Solid Phase Adsorption Toxin Tracking (SPATT) for passive monitoring of per- and polyfluoroalkyl substances (PFAS) with Ion Mobility Spectrometry-Mass Spectrometry (IMS-MS)
SCIENCE OF THE TOTAL ENVIRONMENT, 947.
author keywords: Passive samplers; PFAS; SPATT; Cape Fear River; Skyline
UN Sustainable Development Goal Categories
3. Good Health and Well-being
(Web of Science)
6. Clean Water and Sanitation
(Web of Science)
Sources: Web Of Science, NC State University Libraries
Added: July 30, 2024
2024 article
Metagenomic, metabolomic, and lipidomic shifts associated with fecal microbiota transplantation for recurrent <i>Clostridioides difficile</i> infection
McMillan, A. S., Zhang, G., Dougherty, M. K., McGill, S. K., Gulati, A. S., Baker, E. S., & Theriot, C. M. (2024, October 8). MSPHERE.
author keywords: fecal microbiota transplant; Clostridioides difficile; lipids; acylcarnitines; bile acids; microbial conjugated bile acids; bile salt hydrolase; amino acids
open access via doi.org (publisher)
Source: Web Of Science
Added: October 21, 2024
2024 journal article
Non-Targeted PFAS Suspect Screening and Quantification of Drinking Water Samples Collected through Community Engaged Research in North Carolina's Cape Fear River Basin
TOXICS, 12(6).
author keywords: community; participatory research; PFAS; mass spectrometry; non-targeted analysis
UN Sustainable Development Goal Categories
3. Good Health and Well-being
(Web of Science)
6. Clean Water and Sanitation
(Web of Science; OpenAlex)
Sources: Web Of Science, ORCID, NC State University Libraries
Added: June 1, 2024
2024 article
Proteomic and Lipidomic Plasma Evaluations Reveal Biomarkers for Domoic Acid Toxicosis in California Sea Lions
Solosky, A. M., Claudio, I. M., Chappel, J. R., Kirkwood-Donelson, K. I., Janech, M. G., Bland, A. M., … Baker, E. S. (2024, November 25). JOURNAL OF PROTEOME RESEARCH.
author keywords: Domoic Acid; Proteomics; Lipidomics; California Sea Lion; Zalophus californianus; IonMobility Spectrometry; Multiomics
UN Sustainable Development Goal Categories
14. Life Below Water
(OpenAlex)
Source: Web Of Science
Added: December 9, 2024
2024 article
Streamlining Phenotype Classification and Highlighting Feature Candidates: A Screening Method for Non-Targeted Ion Mobility Spectrometry-Mass Spectrometry (IMS-MS) Data
Chappel, J. R., Kirkwood-Donelson, K. I., Dodds, J. N., Fleming, J., Reif, D. M., & Baker, E. S. (2024, September 18). ANALYTICAL CHEMISTRY, Vol. 9.
Sources: Web Of Science, NC State University Libraries
Added: September 30, 2024
2023 article
Aggregated Molecular Phenotype Scores: Enhancing Assessment and Visualization of Mass Spectrometry Imaging Data for Tissue-Based Diagnostics
Chappel, J. R., King, M. E., Fleming, J., Eberlin, L. S., Reif, D. M., & Baker, E. S. (2023, August 14). ANALYTICAL CHEMISTRY, Vol. 8.
TL;DR:
Initial comparisons of cancerous human tissues to their normal or benign counterparts illustrated that AMP scores distinguished phenotypes with high accuracy, sensitivity, and specificity, leading to high diagnostic accuracy and interpretability.
(via Semantic Scholar)
UN Sustainable Development Goal Categories
3. Good Health and Well-being
(Web of Science)
Sources: Web Of Science, NC State University Libraries
Added: August 28, 2023
2023 article
Bile salt hydrolases shape the bile acid landscape and restrict Clostridioides difficile growth in the murine gut
Foley, M. H., Walker, M. E., Stewart, A. K., O'Flaherty, S., Gentry, E. C., Patel, S., … Theriot, C. M. (2023, March 13). NATURE MICROBIOLOGY, Vol. 3.
MeSH headings : Animals; Mice; Humans; Clostridioides difficile; Clostridioides; Bile Acids and Salts; Amidohydrolases; Clostridium Infections
TL;DR:
Insight is provided into the structural basis of BSH mechanisms that shape the BA landscape and promote colonization resistance against C. difficile in vitro and in pre-clinical in vivo models of CDI.
(via Semantic Scholar)
UN Sustainable Development Goal Categories
3. Good Health and Well-being
(Web of Science)
15. Life on Land
(OpenAlex)
Sources: Web Of Science, NC State University Libraries
Added: April 4, 2023
2023 journal article
Characterizing Adeno-Associated Virus Capsids with Both Denaturing and Intact Analysis Methods
JOURNAL OF THE AMERICAN SOCIETY FOR MASS SPECTROMETRY, 34(12), 2811–2821.
UN Sustainable Development Goal Categories
3. Good Health and Well-being
(Web of Science)
Source: Web Of Science
Added: December 18, 2023
2023 journal article
Integrative Chemical-Biological Grouping of Complex High Production Volume Substances from Lower Olefin Manufacturing Streams
TOXICS, 11(7).
author keywords: UVCB; petroleum; regulatory risk assessment; read-across; ion mobility spectrometry
UN Sustainable Development Goal Categories
3. Good Health and Well-being
(Web of Science)
11. Sustainable Cities and Communities
(Web of Science)
Sources: ORCID, Web Of Science, NC State University Libraries
Added: July 6, 2023
2023 journal article
Reverse metabolomics for the discovery of chemical structures from humans
TL;DR:
R reverse metabolomics is presented as a discovery strategy, whereby tandem mass spectrometry spectra acquired from newly synthesized compounds are searched for in public metabolomics datasets to uncover phenotypic associations.
(via Semantic Scholar)
UN Sustainable Development Goal Categories
3. Good Health and Well-being
(Web of Science)
15. Life on Land
(OpenAlex)
Source: Web Of Science
Added: March 4, 2024
2023 journal article
Uncovering per- and polyfluoroalkyl substances (PFAS) with nontargeted ion mobility spectrometry-mass spectrometry analyses
SCIENCE ADVANCES, 9(43).
UN Sustainable Development Goal Categories
3. Good Health and Well-being
(Web of Science)
6. Clean Water and Sanitation
(Web of Science)
Sources: Web Of Science, ORCID, NC State University Libraries
Added: February 1, 2024
2023 journal article
Using Multidimensional Separations to Distinguish Isomeric Amino Acid-Bile Acid Conjugates and Assess Their Presence and Perturbations in Model Systems
ANALYTICAL CHEMISTRY, 95(41), 15357–15366.
TL;DR:
This work analyzed 8 core bile acids synthetically conjugated with 22 proteinogenic and nonproteogenic amino acids totaling 176 MCBAs and created an in-house extended bile acid library that was applied to healthy mice dosed with antibiotics and humans having fecal microbiota transplantation (FMT) to assess the MCBA presence and changes in the gut before and after each perturbation.
(via Semantic Scholar)
UN Sustainable Development Goal Categories
3. Good Health and Well-being
(Web of Science)
Source: Web Of Science
Added: October 30, 2023
2022 article
A High-Throughput Ion Mobility Spectrometry-Mass Spectrometry Screening Method for Opioid Profiling
Butler, K. E., & Baker, E. S. (2022, September 22). JOURNAL OF THE AMERICAN SOCIETY FOR MASS SPECTROMETRY, Vol. 9.
MeSH headings : Analgesics, Opioid; High-Throughput Screening Assays; Humans; Ion Mobility Spectrometry / methods; Mass Spectrometry / methods; Solid Phase Extraction
TL;DR:
This SPE-IMS-MS approach enabled the rapid screening of urine samples for opioids and presents a major improvement in sample throughput compared to traditional chromatographic analyses coupled with MS, which routinely take several minutes per sample.
(via Semantic Scholar)
UN Sustainable Development Goal Categories
3. Good Health and Well-being
(Web of Science; OpenAlex)
Sources: Web Of Science, NC State University Libraries
Added: October 3, 2022
2022 article
Assessing the Fate of Dissolved Organic Compounds in Landfill Leachate and Wastewater Treatment Systems
Doyle, M. G., Odenkirk, M. T., Stewart, A. K., Nelson, J. P., Baker, E. S., & Cruz, F. (2022, November 1). ACS ES&T WATER, Vol. 11.
author keywords: nontargeted analysis; anthropogenic chemicals; wastewater; landfill leachate; reverse osmosis
UN Sustainable Development Goal Categories
6. Clean Water and Sanitation
(OpenAlex)
7. Affordable and Clean Energy
(Web of Science)
11. Sustainable Cities and Communities
(Web of Science)
12. Responsible Consumption and Production
(Web of Science)
13. Climate Action
(Web of Science)
Sources: Web Of Science, NC State University Libraries, ORCID
Added: November 2, 2022
2022 article
CCS Predictor 2.0: An Open-Source Jupyter Notebook Tool for Filtering Out False Positives in Metabolomics
Rainey, M. A., Watson, C. A., Asef, C. K., Foster, M. R., Baker, E. S., & Fernandez, F. M. (2022, December 6). ANALYTICAL CHEMISTRY, Vol. 12.
MeSH headings : Metabolomics / methods; Mass Spectrometry / methods; Algorithms; Chromatography, High Pressure Liquid; Machine Learning
UN Sustainable Development Goal Categories
3. Good Health and Well-being
(Web of Science)
Sources: Web Of Science, NC State University Libraries
Added: January 3, 2023
2022 journal article
Characterization of compositional variability in petroleum substances
FUEL, 317.
author keywords: UVCB; Registration; Variability; IMS-MS
Sources: Web Of Science, NC State University Libraries
Added: May 10, 2022
2022 article
Combining Isotopologue Workflows and Simultaneous Multidimensional Separations to Detect, Identify, and Validate Metabolites in Untargeted Analyses
Dodds, J. N., Wang, L., Patti, G. J., & Baker, E. S. (2022, January 28). ANALYTICAL CHEMISTRY, Vol. 1.
MeSH headings : Chromatography, Liquid; Ion Mobility Spectrometry; Metabolomics / methods; Tandem Mass Spectrometry; Workflow
TL;DR:
The analytical utility of incorporating ion mobility spectrometry (IMS) as an additional separation mechanism into standard LC-MS/MS isotopologue workflows is evaluated to highlight the enhanced separation space and increased annotation confidence afforded by IMS for metabolic characterization and provide a unique perspective for future developments in isotopically labeled MS experiments.
(via Semantic Scholar)
UN Sustainable Development Goal Categories
3. Good Health and Well-being
(Web of Science)
Sources: Web Of Science, NC State University Libraries
Added: March 14, 2022
2022 journal article
Cupric Ions Selectively Modulate TRAAK-Phosphatidylserine Interactions
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 144(16), 7048–7053.
MeSH headings : Cations, Divalent / metabolism; Phosphatidylserines; Potassium Channels, Tandem Pore Domain / chemistry; Potassium Channels, Tandem Pore Domain / metabolism
TL;DR:
High-resolution native mass spectrometry enables the determination of equilibrium binding constants for distinct Cu2+-bound stoichiometries and uncovered the highest coupling factor corresponds to a 1:1 PS-to-Cu2+ ratio, which brings forth the role of cupric ions as an essential cofactor in selective TRAAK-PS interactions.
(via Semantic Scholar)
UN Sustainable Development Goal Categories
3. Good Health and Well-being
(Web of Science)
Sources: Web Of Science, NC State University Libraries
Added: June 6, 2022
2022 article
Empowering women and addressing underrepresentation in the field of mass spectrometry
Rampler, E., Baker, E. S., Kirkwood, K. I., Schwaiger-Haber, M., Tam, M., Jones, M. A., & Sherman, M. (2022, February 16). EXPERT REVIEW OF PROTEOMICS, Vol. 2.
author keywords: FeMS; ASMS; mass spectrometry; women; diversity
MeSH headings : Female; Humans; Mass Spectrometry; Power, Psychological
UN Sustainable Development Goal Categories
3. Good Health and Well-being
(Web of Science)
4. Quality Education
(Web of Science)
5. Gender Equality
(OpenAlex)
Sources: Web Of Science, NC State University Libraries
Added: March 7, 2022
2022 journal article
Evaluation of Metabolism of a Defined Pesticide Mixture through Multiple In Vitro Liver Models
TOXICS, 10(10).
author keywords: toxicokinetics; chemical mixtures; defined mixtures; human health risk assessment; nontargeted analyses; microphysiological systems
TL;DR:
Findings suggest that iHep-based suspension assays maintain higher metabolic activity compared to 2D sandwich and OrganoPlate® 2-lane 96 model, and illustrates that IMS-MS can characterize in vitro metabolite formation following exposure to mixtures of environmental contaminants.
(via Semantic Scholar)
UN Sustainable Development Goal Categories
3. Good Health and Well-being
(Web of Science)
Sources: ORCID, Web Of Science, NC State University Libraries
Added: October 2, 2022
2022 journal article
High-Resolution Demultiplexing (HRdm) Ion Mobility Spectrometry-Mass Spectrometry for Aspartic and Isoaspartic Acid Determination and Screening
ANALYTICAL CHEMISTRY, 94(16), 6191–6199.
MeSH headings : Chromatography, Liquid; Ion Mobility Spectrometry / methods; Isoaspartic Acid / analysis; Mass Spectrometry / methods; Peptides
TL;DR:
The rapid high-throughput HRdm DTIMS-MS method was presented to present the first application of HRdm for isoAsp and Asp assessment and demonstrate screening capabilities for isomeric peptides in complex samples, resulting in a workflow highly suitable for biopharmaceutical research needs.
(via Semantic Scholar)
UN Sustainable Development Goal Categories
3. Good Health and Well-being
(Web of Science)
Sources: Web Of Science, NC State University Libraries
Added: May 23, 2022
2022 article
Impacts of Gestational FireMaster 550 (FM 550) Exposure on the Neonatal Cortex are Sex Specific and Largely Attributable to the Organophosphate Esters
Witchey, S. K., Doyle, M. G., Fredenburg, J. D., St Armour, G., Horman, B., Odenkirk, M. T., … Patisaul, H. B. (2022, September 8). NEUROENDOCRINOLOGY, Vol. 9.
TL;DR:
This study reveals multiple mechanisms by which the components of a common FR mixture are developmentally neurotoxic and that the OPFRs may be the compounds of greatest concern.
(via Semantic Scholar)
UN Sustainable Development Goal Categories
3. Good Health and Well-being
(Web of Science)
Sources: Web Of Science, NC State University Libraries
Added: September 26, 2022
2022 article
Introducing the Lipidomics Minimal Reporting Checklist
McDonald, J. G., Ejsing, C. S., Kopczynski, D., Holcapek, M., Aoki, J., Arita, M., … Ekroos, K. (2022, August 8). NATURE METABOLISM, Vol. 8.
MeSH headings : Checklist; Lipid Metabolism; Lipidomics; Mass Spectrometry
TL;DR:
The creation of a dynamic checklist summarizing key details of lipidomic analyses using a common language has the potential to harmonize the field by improving both traceability and reproducibility.
(via Semantic Scholar)
UN Sustainable Development Goal Categories
3. Good Health and Well-being
(Web of Science)
Sources: Web Of Science, NC State University Libraries
Added: August 22, 2022
2022 article
Stability and Dissociation of Adeno-Associated Viral Capsids by Variable Temperature-Charge Detection-Mass Spectrometry
Kostelic, M. M., Ryan, J. P., Brown, L. S., Jackson, T. W., Hsieh, C.-C., Zak, C. K., … Marty, M. T. (2022, August 18). ANALYTICAL CHEMISTRY, Vol. 8.
MeSH headings : Capsid / chemistry; Capsid Proteins / chemistry; Dependovirus / chemistry; Mass Spectrometry; Temperature
TL;DR:
This new approach better characterizes the thermal dissociation of AAVs, providing the simultaneous measurement of the stabilities and dissociation pathways of different subpopulations, and observed that pH stress caused a major decrease in thermal stability.
(via Semantic Scholar)
UN Sustainable Development Goal Categories
3. Good Health and Well-being
(Web of Science)
Sources: Web Of Science, NC State University Libraries
Added: September 12, 2022
2022 journal article
Surface Modified Nano-Electrospray Needles Improve Sensitivity for Native Mass Spectrometry
JOURNAL OF THE AMERICAN SOCIETY FOR MASS SPECTROMETRY, 33(6), 1031–1037.
author keywords: native mass spectrometry; charge detection mass spectrometry; electrospray ionization; silane chemistry
MeSH headings : Needles; Proteins / analysis; Spectrometry, Mass, Electrospray Ionization / methods
UN Sustainable Development Goal Categories
3. Good Health and Well-being
(Web of Science)
Sources: Web Of Science, NC State University Libraries
Added: June 20, 2022
2022 journal article
Temporal chemical composition changes in water below a crude oil slick irradiated with natural sunlight
MARINE POLLUTION BULLETIN, 185.
author keywords: Oil; Photodegradation; Photooxidation; Petroleomics; Toxicity; Spill
MeSH headings : Petroleum; Sunlight; Water; Petroleum Pollution; Seawater
UN Sustainable Development Goal Categories
3. Good Health and Well-being
(Web of Science)
14. Life Below Water
(OpenAlex)
Sources: Web Of Science, NC State University Libraries
Added: February 20, 2023
2022 journal article
Uncovering PFAS and Other Xenobiotics in the Dark Metabolome Using Ion Mobility Spectrometry, Mass Defect Analysis, and Machine Learning
ENVIRONMENTAL SCIENCE & TECHNOLOGY, 56(12), 9133–9143.
author keywords: xenobiotics; per- and polyfluoroalkyl substances; ion mobility spectrometry; mass spectrometry; mass defect; machine learning; PFAS
MeSH headings : Fluorocarbons; Humans; Ion Mobility Spectrometry / methods; Machine Learning; Metabolome; Xenobiotics
TL;DR:
A xenobiotic structural annotation workflow using ion mobility spectrometry coupled with MS (IMS-MS), mass defect filtering, and machine learning to uncover potential xenobiotics classes and species in large metabolomic feature lists is evaluated.
(via Semantic Scholar)
UN Sustainable Development Goal Categories
3. Good Health and Well-being
(Web of Science)
Sources: Web Of Science, NC State University Libraries
Added: July 5, 2022
2022 journal article
Utilizing Pine Needles to Temporally and Spatially Profile Per- and Polyfluoroalkyl Substances (PFAS)
ENVIRONMENTAL SCIENCE & TECHNOLOGY, 56(6), 3441–3451.
author keywords: Biomonitoring; contamination; per- and polyfluoroalkyl substances; fluoroethers; ion mobility; mass spectrometry; PFAS
MeSH headings : Alkanesulfonic Acids / analysis; Chromatography, Liquid; Fluorocarbons / analysis; United States; United States Environmental Protection Agency
UN Sustainable Development Goal Categories
3. Good Health and Well-being
(Web of Science)
6. Clean Water and Sanitation
(Web of Science)
15. Life on Land
(OpenAlex)
Sources: Web Of Science, NC State University Libraries, ORCID
Added: February 18, 2022
2022 article
Utilizing Skyline to analyze lipidomics data containing liquid chromatography, ion mobility spectrometry and mass spectrometry dimensions
Kirkwood, K. I., Pratt, B. S., Shulman, N., Tamura, K., MacCoss, M. J., MacLean, B. X., & Baker, E. S. (2022, July 13). NATURE PROTOCOLS, Vol. 7.
MeSH headings : Ion Mobility Spectrometry; Lipidomics; Chromatography, Liquid / methods; Mass Spectrometry / methods; Lipids
TL;DR:
This protocol describes how to use the free, vendor-neutral software Skyline to process and annotate multidimensional lipidomic data by using expanded features such as predicted retention times, spectral libraries and ion mobility filtering.
(via Semantic Scholar)
UN Sustainable Development Goal Categories
3. Good Health and Well-being
(Web of Science)
Sources: Web Of Science, NC State University Libraries
Added: July 26, 2022
2021 journal article
A Preprocessing Tool for Enhanced Ion Mobility-Mass Spectrometry-Based Omics Workflows
JOURNAL OF PROTEOME RESEARCH, 21(3), 798–807.
author keywords: mass spectrometry; ion mobility spectrometry; preprocessing software; time-of-flight detector saturation; data-independent acquisition; lipid annotation
MeSH headings : Chromatography, Liquid / methods; Humans; Ion Mobility Spectrometry / methods; Ions; Lipids; Mass Spectrometry / methods; Workflow
TL;DR:
The PNNL PreProcessor is developed, a standalone and user-friendly software housing various algorithmic implementations to generate new MS-files with enhanced signal quality and in the same instrument format to extend the dynamic range of the detection system, while reducing file sizes for faster and memory-efficient downstream processing.
(via Semantic Scholar)
UN Sustainable Development Goal Categories
3. Good Health and Well-being
(Web of Science)
Sources: Web Of Science, NC State University Libraries
Added: May 2, 2022
2021 journal article
Analysis of per- and polyfluoroalkyl substances in Houston Ship Channel and Galveston Bay following a large-scale industrial fire using ion-mobility-spectrometry-mass spectrometry
JOURNAL OF ENVIRONMENTAL SCIENCES, 115, 350–362.
author keywords: Emergency; Environmental disaster; PFAS
MeSH headings : Animals; Bays; Chromatography, Liquid; Deer; Fluorocarbons / analysis; Ion Mobility Spectrometry; Tandem Mass Spectrometry; Water Pollutants, Chemical / analysis
TL;DR:
Untargeted LC-IMS-MS improved the understanding of PFAS presence in complex environmental samples and identified a number of additional PFAS, many known to be components of firefighting foams.
(via Semantic Scholar)
UN Sustainable Development Goal Categories
3. Good Health and Well-being
(Web of Science)
6. Clean Water and Sanitation
(Web of Science)
14. Life Below Water
(OpenAlex)
Sources: Web Of Science, NC State University Libraries
Added: January 18, 2022
2021 journal article
Data Processing Workflow to Identify Structurally Related Compounds in Petroleum Substances Using Ion Mobility Spectrometry-Mass Spectrometry
ENERGY & FUELS, 35(13), 10529–10539.
TL;DR:
This work demonstrates how rapid untargeted IMS-MS analysis and the proposed data processing workflow can be used to provide confident compositional characterization of hydrocarbon-containing substances.
(via Semantic Scholar)
Sources: Web Of Science, NC State University Libraries
Added: July 26, 2021
2021 article
Development and Application of Multidimensional Lipid Libraries to Investigate Lipidomic Dysregulation Related to Smoke Inhalation Injury Severity
Kirkwood, K. I., Christopher, M. W., Burgess, J. L., Littau, S. R., Foster, K., Richey, K., … Baker, E. S. (2021, December 7). JOURNAL OF PROTEOME RESEARCH, Vol. 12.
author keywords: lipidomics; ion mobility spectrometry; spectral libraries; data annotation; smoke inhalation
MeSH headings : Chromatography, Liquid; Humans; Ion Mobility Spectrometry; Lipidomics; Lipids; Smoke Inhalation Injury
UN Sustainable Development Goal Categories
3. Good Health and Well-being
(Web of Science; OpenAlex)
Sources: Web Of Science, NC State University Libraries
Added: December 20, 2021
2021 journal article
From Plants to Ants: Fungal Modification of Leaf Lipids for Nutrition and Communication in the Leaf-Cutter Ant Fungal Garden Ecosystem
MSYSTEMS, 6(2).
author keywords: 18:2; 18:3; alpha-linolenic acid; fungal garden ecosystem; interkingdom communication; leaf-cutter ants; lignocellulose degradation; linoleic acid; lipidomics; mass spectrometry
TL;DR:
This work demonstrates the role of lipids in both the transfer of energy and as an interkingdom communication tool in leaf-cutter ant fungal gardens and provides insights as to how the fungus modifies plant lipids into a usable source for the ants.
(via Semantic Scholar)
UN Sustainable Development Goal Categories
15. Life on Land
(Web of Science)
Sources: ORCID, Web Of Science, NC State University Libraries
Added: April 28, 2021
2021 journal article
Improving the Speed and Selectivity of Newborn Screening Using Ion Mobility Spectrometry-Mass Spectrometry
ANALYTICAL CHEMISTRY, 93(51), 17094–17102.
MeSH headings : Biomarkers; High-Throughput Screening Assays; Humans; Infant, Newborn; Ion Mobility Spectrometry; Mass Spectrometry; Neonatal Screening
TL;DR:
The utility of ion mobility spectrometry (IMS) to enhance the accuracy of MS assays for primary (tier 1) screening is explored and the results suggest that ∼400 IMS resolving power would be required to confidently assess most NBS biomarkers of interest in dried blood spots (DBSs) that currently require follow-up testing.
(via Semantic Scholar)
UN Sustainable Development Goal Categories
3. Good Health and Well-being
(Web of Science)
Sources: Web Of Science, NC State University Libraries
Added: February 7, 2022
2021 journal article
In situ imaging reveals disparity between prostaglandin localization and abundance of prostaglandin synthases
COMMUNICATIONS BIOLOGY, 4(1).
MeSH headings : Animals; Cyclooxygenase 1 / genetics; Cyclooxygenase 1 / metabolism; Cyclooxygenase 2 / genetics; Cyclooxygenase 2 / metabolism; Embryo, Mammalian; Mass Spectrometry; Mice; Prostaglandin-Endoperoxide Synthases / metabolism; Prostaglandins / metabolism
TL;DR:
A novel mass spectrometry imaging method is applied for direct in situ tissue localization of prostaglandin D2, its precursors, and downstream synthases and reveals that the abundance of COX and prostag landins D2 synthases in cellular regions does not mirror the regional abundance of prostags.
(via Semantic Scholar)
UN Sustainable Development Goal Categories
3. Good Health and Well-being
(Web of Science; OpenAlex)
Sources: Web Of Science, NC State University Libraries
Added: August 30, 2021
2021 journal article
Ion Mobility Spectrometry Characterization of the Intermediate Hydrogen-Containing Gold Cluster Au-7(PPh3)(7)H-5(2+)
JOURNAL OF PHYSICAL CHEMISTRY LETTERS, 12(10), 2502–2508.
TL;DR:
The findings indicate that hydrogen-containing species like Au7(PPh3)7H52+ act as intermediates in the formation of larger phosphine ligated gold clusters, which is necessary for scalable synthesis of clusters with tailored properties.
(via Semantic Scholar)
UN Sustainable Development Goal Categories
3. Good Health and Well-being
(Web of Science)
Sources: Web Of Science, NC State University Libraries
Added: April 5, 2021
2021 journal article
Multiomic Big Data Analysis Challenges: Increasing Confidence in the Interpretation of Artificial Intelligence Assessments
ANALYTICAL CHEMISTRY, 93(22), 7763–7773.
MeSH headings : Artificial Intelligence; Big Data; Data Analysis
TL;DR:
The present and future capabilities of AI techniques in multiomic studies are discussed while introducing analytical checks and balances to validate the computational conclusions.
(via Semantic Scholar)
UN Sustainable Development Goal Categories
3. Good Health and Well-being
(Web of Science)
Sources: Web Of Science, NC State University Libraries
Added: July 19, 2021
2021 article
Per- and polyfluoroalkyl substances (PFAS)-contaminants of emerging concern
Baker, E. S., & Knappe, D. R. U. (2021, December 2). ANALYTICAL AND BIOANALYTICAL CHEMISTRY, Vol. 12.
MeSH headings : Anthropogenic Effects; Environmental Pollutants / analysis; Environmental Pollutants / pharmacokinetics; Fluorocarbons / analysis; Fluorocarbons / pharmacokinetics; Humans; Tissue Distribution; United States; United States Environmental Protection Agency
TL;DR:
It was imperative to assemble this PFAS topical collection to be a critical resource as Published in the topical collection Perand Polyfluoroalkyl Substances (PFAS) – Contaminants of Emerging Concern with guest editors Erin Baker and Detlef Knappe.
(via Semantic Scholar)
UN Sustainable Development Goal Categories
3. Good Health and Well-being
(Web of Science)
6. Clean Water and Sanitation
(Web of Science)
Sources: Web Of Science, NC State University Libraries
Added: December 13, 2021
2021 review
Recommendations for good practice in MS-based lipidomics
[Review of ]. JOURNAL OF LIPID RESEARCH, 62.
author keywords: lipidomics; metabolomics; MS; chromatography; ion mobility spectrometry; phospholipids; sphingolipids; LC-MS; lipid identification
MeSH headings : Humans; Lipidomics / standards; Lipids / analysis; Mass Spectrometry
TL;DR:
It is the intention of this review to highlight the most quality-relevant aspects of the lipidomics workflow, including preanalytics, sample preparation, MS, and lipid species identification and quantitation.
(via Semantic Scholar)
UN Sustainable Development Goal Categories
3. Good Health and Well-being
(Web of Science)
Sources: Web Of Science, NC State University Libraries
Added: February 7, 2022
2021 journal article
Relationships between constituents of energy drinks and beating parameters in human induced pluripotent stem cell (iPSC)-Derived cardiomyocytes
FOOD AND CHEMICAL TOXICOLOGY, 149.
author keywords: Cardiovascular; Heart rate; QT interval; Theophylline; Adenine; Azelate
MeSH headings : Calcium / metabolism; Cell Differentiation; Cell Survival / drug effects; Drug-Related Side Effects and Adverse Reactions; Energy Drinks / analysis; Heart Diseases / chemically induced; Humans; Induced Pluripotent Stem Cells / drug effects; Myocytes, Cardiac / drug effects; Risk Assessment
TL;DR:
It was found that some of the energy drinks elicited adverse effects on the cardiomyocytes with the most common being an increase in the beat rate, while QT prolongation was also observed at the lowest concentrations.
(via Semantic Scholar)
UN Sustainable Development Goal Categories
3. Good Health and Well-being
(Web of Science)
7. Affordable and Clean Energy
(OpenAlex)
Sources: ORCID, Web Of Science, NC State University Libraries
Added: February 4, 2021
2021 journal article
Spatial Distribution of Polycyclic Aromatic Hydrocarbon Contaminants after Hurricane Harvey in a Houston Neighborhood.
Journal of Health & Pollution.
TL;DR:
Findings from this study highlight the need for fine scale soil testing in residential areas as well as the importance of site-specific risk assessment in response to a major hurricane.
(via Semantic Scholar)
Source: ORCID
Added: April 28, 2021
2021 journal article
Utilizing Ion Mobility-Mass Spectrometry to Investigate the Unfolding Pathway of Cu/Zn Superoxide Dismutase
FRONTIERS IN CHEMISTRY, 9.
author keywords: ion mobility spectrometry; native mass spectrometry; superoxide dismutase; SOD1; drift tube ion mobility spectrometry; trapped ion mobility spectrometry
TL;DR:
The observed CCSvalues were in excellent agreement with computational CCS values predicted from the homo-dimer crystal structure, showcasing the ability to use both IMS-MS platforms to provide valuable structural information for molecular modeling of protein interactions and structural assessments.
(via Semantic Scholar)
UN Sustainable Development Goal Categories
3. Good Health and Well-being
(Web of Science)
Sources: Web Of Science, NC State University Libraries
Added: March 15, 2021
2021 article
Utilizing ion mobility spectrometry-mass spectrometry for the characterization and detection of persistent organic pollutants and their metabolites
Aly, N. A., Dodds, J. N., Luo, Y.-S., Grimm, F. A., Foster, M. K., Rusyn, I., & Baker, E. S. (2021, October 20). ANALYTICAL AND BIOANALYTICAL CHEMISTRY, Vol. 10.
author keywords: Ion Mobility Spectrometry; Pesticides; Pharmaceuticals; PFAS
MeSH headings : Environmental Monitoring / methods; Humans; Ion Mobility Spectrometry / methods; Mass Spectrometry / methods; Persistent Organic Pollutants / chemistry; Persistent Organic Pollutants / metabolism; Pesticides / analysis; Pesticides / metabolism; Pharmaceutical Preparations / analysis; Pharmaceutical Preparations / metabolism; Polychlorinated Biphenyls / analysis; Polychlorinated Biphenyls / metabolism
TL;DR:
This study characterized 64 compounds including parent per- and polyfluoroalkyl substances, pesticides, polychlorinated biphenyls, industrial chemicals, and pharmaceuticals and personal care products, in addition to their metabolites and/or degradants, using ion mobility spectrometry coupled with MS (IMS-MS) as a potential rapid screening technique.
(via Semantic Scholar)
UN Sustainable Development Goal Categories
3. Good Health and Well-being
(Web of Science)
6. Clean Water and Sanitation
(Web of Science)
Sources: Web Of Science, NC State University Libraries
Added: November 1, 2021
2021 article
Utilizing liquid chromatography, ion mobility spectrometry, and mass spectrometry to assess INLIGHT (TM) derivatized N-linked glycans in biological samples
Butler, K. E., Kalmar, J. G., Muddiman, D. C., & Baker, E. S. (2021, August 4). ANALYTICAL AND BIOANALYTICAL CHEMISTRY, Vol. 8.
author keywords: Glycomics; Ion mobility spectrometry; INLIGHT (TM); N-Linked glycans; LC-IMS-MS
TL;DR:
The combination of IMS and the natural (NAT) and stable-isotope label (SIL) in the INLIGHT™ strategy provided additional confidence for each glycan identification due to the mobility aligned NAT- and SIL-labeled glycans and further capabilities for isomer examinations.
(via Semantic Scholar)
UN Sustainable Development Goal Categories
3. Good Health and Well-being
(Web of Science)
Sources: Web Of Science, NC State University Libraries
Added: August 16, 2021
2020 journal article
A Comparative Analysis of Analytical Techniques for Rapid Oil Spill Identification
ENVIRONMENTAL TOXICOLOGY AND CHEMISTRY, 40(4), 1034–1049.
author keywords: Ion mobility spectrometry– mass spectrometry; Fingerprinting; Petroleum
MeSH headings : Gas Chromatography-Mass Spectrometry; Gasoline; Hydrocarbons; Petroleum / analysis; Petroleum Pollution / analysis
TL;DR:
The utility of IMS‐MS as a technique for rapid fingerprinting of complex samples and its advantages over traditional GC‐MS‐based analyses when used for decision‐making in emergency situations are demonstrated.
(via Semantic Scholar)
UN Sustainable Development Goal Categories
3. Good Health and Well-being
(Web of Science)
Sources: Web Of Science, NC State University Libraries
Added: April 5, 2021
2020 journal article
Coupling IR-MALDESI with Drift Tube Ion Mobility-Mass Spectrometry for High-Throughput Screening and Imaging Applications
Journal of the American Society for Mass Spectrometry, 31(3), 642–650.
author keywords: mass spectrometry imaging; ion mobility spectrometry; IR-MALDESI; high-throughput; isomer resolution
TL;DR:
To increase a range of detectable features in IR-MALDESI experiments, the home-built ion source was integrated with a commercially available drift tube ion mobility spec-trometer-mass spectrometer (IMS-MS) and analyzed small polar molecules, lipids, carbohydrates as well as intact proteins.
(via Semantic Scholar)
UN Sustainable Development Goal Categories
3. Good Health and Well-being
(Web of Science)
Sources: ORCID, Web Of Science, NC State University Libraries, Crossref
Added: March 23, 2020
2020 journal article
Enhanced protocol for quantitativeN-linked glycomics analysis using Individuality Normalization when Labeling with Isotopic Glycan Hydrazide Tags (INLIGHT)(TM)
ANALYTICAL AND BIOANALYTICAL CHEMISTRY, 412(27), 7569–7579.
author keywords: Glycomics; Orbitrap; Sample preparation; INLIGHT (TM); N-linked glycans; HILIC; PGC; Reversed-phase; Chromatography
MeSH headings : Chromatography, Reverse-Phase / methods; Female; Fetuins / chemistry; Glycomics / methods; Glycosylation; Humans; Male; Peptide-N4-(N-acetyl-beta-glucosaminyl) Asparagine Amidase / chemistry; Polysaccharides / analysis; Tandem Mass Spectrometry / methods
TL;DR:
To assess the maximum sensitivity and separability of the INLIGHT™ preparation and analysis pipeline, several critical steps were investigated and the identification of low-abundance glycans, such as (Fuc)1(Gal)2(GlcNAc)4(Man)3(NeuAc)3, was possible.
(via Semantic Scholar)
UN Sustainable Development Goal Categories
3. Good Health and Well-being
(Web of Science)
Sources: Web Of Science, NC State University Libraries
Added: September 14, 2020
2020 review
From Pesticides to Per- and Polyfluoroalkyl Substances: An Evaluation of Recent Targeted and Untargeted Mass Spectrometry Methods for Xenobiotics
[Review of ]. ANALYTICAL CHEMISTRY, 93(1), 641–656.
MeSH headings : Fluorocarbons / analysis; Mass Spectrometry; Xenobiotics / analysis
UN Sustainable Development Goal Categories
3. Good Health and Well-being
(Web of Science)
6. Clean Water and Sanitation
(Web of Science)
Sources: Web Of Science, NC State University Libraries, ORCID
Added: February 4, 2021
2020 journal article
From Prevention to Disease Perturbations: A Multi-Omic Assessment of Exercise and Myocardial Infarctions
BIOMOLECULES, 11(1).
author keywords: lipidomics; metabolomics; multi-omics; planned myocardial infarction (PMI); myocardial infarction (MI); exercise; heart; cheminformatics
MeSH headings : Exercise; Exercise Test; Female; Humans; Lipidomics; Lipids / blood; Lipids / genetics; Male; Metabolomics; Middle Aged; Myocardial Infarction / blood; Myocardial Infarction / genetics; Myocardial Infarction / physiopathology; Myocardial Infarction / prevention & control; Risk Factors
TL;DR:
Different lipidomic perturbations were observed for these events, as could be expected from their vastly different stresses on the body, and these results were combined with previously published metabolomic characterizations of the same patients to give a more holistic understanding of the molecular changes associated with each.
(via Semantic Scholar)
UN Sustainable Development Goal Categories
3. Good Health and Well-being
(Web of Science; OpenAlex)
Sources: Web Of Science, NC State University Libraries, ORCID
Added: January 4, 2021
2020 journal article
Metabolite collision cross section prediction without energy-minimized structures
The Analyst, 145(16), 5414–5418.
MeSH headings : Ion Mobility Spectrometry; Mass Spectrometry
TL;DR:
It is shown for the first time that accurately predicting CCS values with simple models for the largest library of metabolite cross sections is indeed possible, achieving a root mean square error of 7.0 Å2 (median error of ∼2%) using linear methods accesible to most researchers.
(via Semantic Scholar)
UN Sustainable Development Goal Categories
3. Good Health and Well-being
(Web of Science)
Sources: Web Of Science, NC State University Libraries
Added: August 31, 2020
2020 journal article
Proteomic assessment of serum biomarkers of longevity in older men
AGING CELL, 19(11).
author keywords: aging; biomarker; inflammation; longevity; men; proteomics
MeSH headings : Aged; Biomarkers / blood; Humans; Longevity; Male; Proteomics / methods
TL;DR:
It is suggested that complex pathways, prominently including inflammation, are linked to the likelihood of attaining longevity and may serve to identify novel biomarkers for longevity and to understand the biology underlying lifespan.
(via Semantic Scholar)
UN Sustainable Development Goal Categories
3. Good Health and Well-being
(Web of Science)
Sources: Web Of Science, NC State University Libraries
Added: November 2, 2020
2020 journal article
Rapid Characterization of Emerging Per- and Polyfluoroalkyl Substances in Aqueous Film-Forming Foams Using Ion Mobility Spectrometry-Mass Spectrometry
ENVIRONMENTAL SCIENCE & TECHNOLOGY, 54(23), 15024–15034.
MeSH headings : Fluorocarbons / analysis; Ion Mobility Spectrometry; Tandem Mass Spectrometry; Water; Water Pollutants, Chemical / analysis
TL;DR:
This work demonstrates that LC-IMS-MS-enabled untargeted analysis of complex formulations, followed by feature identification using data-processing algorithms, can be used for rapid exposure characterization of known and putative PFAS during fire suppression-related contamination events.
(via Semantic Scholar)
UN Sustainable Development Goal Categories
3. Good Health and Well-being
(Web of Science)
6. Clean Water and Sanitation
(Web of Science)
Sources: Web Of Science, NC State University Libraries
Added: January 19, 2021
2020 journal article
Rapid Characterization of Per- and Polyfluoroalkyl Substances (PFAS) by Ion Mobility Spectrometry-Mass Spectrometry (IMS-MS)
Analytical Chemistry, 92(6), 4427–4435.
MeSH headings : Hydrocarbons, Fluorinated / analysis; Ion Mobility Spectrometry; Mass Spectrometry; Molecular Structure; Polymers / analysis
TL;DR:
Results from this study show that the IMS separation provides novel information to support traditional LC-MS PFAS analyses and will greatly benefit the evaluation of unknown pollutants in future environmental studies.
(via Semantic Scholar)
UN Sustainable Development Goal Categories
3. Good Health and Well-being
(Web of Science)
6. Clean Water and Sanitation
(Web of Science)
Sources: ORCID, Web Of Science, NC State University Libraries
Added: March 23, 2020
2020 journal article
Structural-based connectivity and omic phenotype evaluations (SCOPE): a cheminformatics toolbox for investigating lipidomic changes in complex systems
ANALYST, 145(22), 7197–7209.
MeSH headings : Cheminformatics; Lipidomics; Lipids; Mass Spectrometry; Phenotype
TL;DR:
A Structural-based Connectivity and Omic Phenotype Evaluations (SCOPE) cheminformatics toolbox to aid in these evaluations of lipid species and their respective biological roles is developed.
(via Semantic Scholar)
UN Sustainable Development Goal Categories
3. Good Health and Well-being
(Web of Science)
Sources: Web Of Science, NC State University Libraries
Added: November 24, 2020
2020 journal article
Temporal and spatial analysis of per and polyfluoroalkyl substances in surface waters of Houston ship channel following a large-scale industrial fire incident
Environmental Pollution, 265(B), 115009.
MeSH headings : Drinking Water / analysis; Fires; Fluorocarbons / analysis; Texas; Water Pollutants, Chemical / analysis
TL;DR:
A major peak in the level of many PFAS is found in the days and weeks after the ITC incident and a gradual decline over several months with patterns consistent with the tide- and wave-associated water movements.
(via Semantic Scholar)
UN Sustainable Development Goal Categories
3. Good Health and Well-being
(Web of Science)
6. Clean Water and Sanitation
(Web of Science; OpenAlex)
Sources: Web Of Science, NC State University Libraries
Added: August 31, 2020
2020 journal article
Unveiling molecular signatures of preeclampsia and gestational diabetes mellitus with multi-omics and innovative cheminformatics visualization tools
MOLECULAR OMICS, 16(6).
MeSH headings : Case-Control Studies; Diabetes, Gestational / genetics; Female; Genomics; Humans; Lipidomics; Metabolic Networks and Pathways; Pre-Eclampsia / genetics; Pregnancy
TL;DR:
The multi-omic evaluations performed here provide new insight into the end-stage molecular profiles of each disease, thereby supplying information potentially crucial for earlier diagnosis and treatments.
(via Semantic Scholar)
UN Sustainable Development Goal Categories
3. Good Health and Well-being
(Web of Science; OpenAlex)
5. Gender Equality
(Web of Science)
Sources: Web Of Science, NC State University Libraries
Added: January 4, 2021
2019 article
Challenges in Identifying the Dark Molecules of Life
ANNUAL REVIEW OF ANALYTICAL CHEMISTRY, VOL 12, Vol. 12, pp. 177–199.
Contributors: M. Monge *, J. Dodds n, n , A. Edison * & F. Fernaacutendez
author keywords: metabolomics; metabolite identification; chromatography; ion mobility; tandem mass spectrometry; nuclear magnetic resonance spectroscopy
MeSH headings : Animals; Chromatography, Liquid / methods; Humans; Ion Mobility Spectrometry / methods; Magnetic Resonance Spectroscopy / methods; Mass Spectrometry / methods; Metabolome; Metabolomics / methods
TL;DR:
The state-of-the-art in metabolite identification with specific applications in metabolomics is critically discussed and how technologies such as mass spectrometry, ion mobility, chromatography, and nuclear magnetic resonance currently contribute to this challenging task.
(via Semantic Scholar)
UN Sustainable Development Goal Categories
3. Good Health and Well-being
(Web of Science)
Sources: Web Of Science, ORCID, NC State University Libraries
Added: July 1, 2019
2019 journal article
Evaluating the structural complexity of isomeric bile acids with ion mobility spectrometry
ANALYTICAL AND BIOANALYTICAL CHEMISTRY, 411(19), 4673–4682.
Contributors: X. Zheng *, F. Smith*, N. Aly*, J. Cai *, R. Smith *, A. Patterson *, n
author keywords: Ion mobility spectrometry; Bile acids; Collisional cross sections
MeSH headings : Bile Acids and Salts / chemistry; Bile Acids and Salts / standards; Copper / chemistry; Humans; Ion Mobility Spectrometry / methods; Isomerism; Molecular Structure; Reference Standards; Zinc / chemistry
TL;DR:
In the DTIMS-MS analyses of 12 isomer groups, BAs with smaller m/z values were easily separated in either their deprotonated or sodiated forms (or both).
(via Semantic Scholar)
UN Sustainable Development Goal Categories
3. Good Health and Well-being
(Web of Science; OpenAlex)
Sources: Web Of Science, ORCID, NC State University Libraries
Added: July 29, 2019
2019 journal article
Folding and Assembly of Short α, β, Î-Hybrid Peptides: Minor Variations in Sequence and Drastic Differences in Higher-Level Structures
Journal of the American Chemical Society, 141(36), 14239–14248.
Contributors: Y. Zhang *, Y. Zhong *, A. Connor*, D. Miller *, R. Cao*, J. Shen *, B. Song *, *
MeSH headings : Crystallography, X-Ray; Hydrogen Bonding; Models, Molecular; Peptides / chemistry; Protein Folding; Protein Structure, Secondary
TL;DR:
The folding and assembly of seven short tetrapeptides sharing the same types of α-, β-, and aromatic γ-amino acid residues are reported, demonstrating the unique capability of synthetic foldamers in generating structures with fascinating folding and assembling behavior.
(via Semantic Scholar)
Source: ORCID
Added: December 5, 2019
2019 journal article
Ion Mobility Spectrometry: Fundamental Concepts, Instrumentation, Applications, and the Road Ahead
JOURNAL OF THE AMERICAN SOCIETY FOR MASS SPECTROMETRY, 30(11), 2185–2195.
Contributors: J. Dodds n & n
author keywords: Ion mobility spectrometry; IMS; Untargeted metabolomics; Mass spectrometry
TL;DR:
This critical insight aims to clarify some common misconceptions for new users in the community pertaining to the fundamental concepts of the various IMS instrumental platforms, while addressing the strengths and shortcomings associated with each.
(via Semantic Scholar)
UN Sustainable Development Goal Categories
3. Good Health and Well-being
(Web of Science)
Sources: Web Of Science, ORCID, NC State University Libraries
Added: November 25, 2019
2019 review
Ion mobility spectrometry and the omics: Distinguishing isomers, molecular classes and contaminant ions in complex samples
[Review of ]. TRAC-TRENDS IN ANALYTICAL CHEMISTRY, 116, 292–299.
Contributors: K. Burnum-Johnson *, X. Zheng *, J. Dodds n, J. Ash n, D. Fourches n, C. Nicora *, J. Wendler *, T. Metz *
author keywords: Ion mobility spectrometry; Mass spectrometry; Omics; Proteomics; Lipidomics; Metabolomics; Glycomics; Exposomics
TL;DR:
Ion mobility spectrometry has shown great utility in salvaging molecular information for low abundance molecules of interest when high concentration contaminant ions are present in the sample by reducing detector suppression.
(via Semantic Scholar)
UN Sustainable Development Goal Categories
3. Good Health and Well-being
(Web of Science)
Sources: Web Of Science, ORCID, NC State University Libraries
Added: July 1, 2019
2019 journal article
Perspectives on Data Analysis in Metabolomics: Points of Agreement and Disagreement from the 2018 ASMS Fall Workshop
JOURNAL OF THE AMERICAN SOCIETY FOR MASS SPECTROMETRY, 30(10), 2031–2036.
Contributors: n & G. Patti *
author keywords: Metabolomics; Informatics; ASMS Fall Workshop; Metabolism
MeSH headings : Chromatography, Liquid; Computational Biology / organization & administration; Computational Biology / standards; Humans; Mass Spectrometry; Metabolomics / organization & administration; Metabolomics / standards
TL;DR:
Five recurring topics that were covered by multiple presenters are highlighted, including data sharing, artifacts and contaminants, feature degeneracy, database organization, and requirements for metabolite identification, which underscores the diversity of informatic programs currently being used in metabolomics.
(via Semantic Scholar)
UN Sustainable Development Goal Categories
3. Good Health and Well-being
(Web of Science)
Sources: Web Of Science, ORCID, NC State University Libraries
Added: November 11, 2019
2019 journal article
Predicting Ion Mobility Collision Cross-Sections Using a Deep Neural Network: DeepCCS
ANALYTICAL CHEMISTRY, 91(8), 5191–5199.
Contributors: P. Plante *, É. Francovic-Fontaine *, J. May *, J. McLean *, n , F. Laviolette *, M. Marchand *, J. Corbeil *
MeSH headings : Algorithms; Deep Learning; Ion Mobility Spectrometry; Magnetic Resonance Spectroscopy; Mass Spectrometry; Metabolomics; Neural Networks, Computer
TL;DR:
This article successfully developed and trained a prediction model for CCS values requiring only information about a compound's SMILES notation and ion type and was able to outperform all currently available CCS prediction algorithms.
(via Semantic Scholar)
UN Sustainable Development Goal Categories
3. Good Health and Well-being
(Web of Science)
Sources: Web Of Science, ORCID, NC State University Libraries
Added: May 13, 2019
2019 article
Utilizing Drift Tube Ion Mobility Spectrometry for the Evaluation of Metabolites and Xenobiotics
ION MOBILITY-MASS SPECTROMETRY: METHODS AND PROTOCOLS, Vol. 2084, pp. 35–54.
Contributors: M. Odenkirk n & n
author keywords: Ion mobility spectrometry (IMS); Drift tube ion mobility spectrometry (DTIMS); Metabolomics; Exposomics; Collision cross section (CCS)
MeSH headings : Ion Mobility Spectrometry / methods; Metabolome; Metabolomics / methods; Xenobiotics / analysis
TL;DR:
A review of relevant parameter considerations for DTIMS application with emphasis on xenobiotics and metabolomics isomer separations is presented.
(via Semantic Scholar)
UN Sustainable Development Goal Categories
3. Good Health and Well-being
(Web of Science)
Sources: ORCID, Web Of Science, NC State University Libraries
Added: December 5, 2019
2018 journal article
Application of multiplexed ion mobility spectrometry towards the identification of host protein signatures of treatment effect in pulmonary tuberculosis
Tuberculosis, 112, 52–61.
Contributors: K. Kedia *, J. Wendler *, * , K. Burnum-Johnson *, L. Jarsberg, K. Stratton *, A. Wright *, P. Piehowski *
author keywords: Ion mobility spectrometry; Proteomics; Tuberculosis; Antibiotic treatment
MeSH headings : Adolescent; Adult; Antitubercular Agents / therapeutic use; Biomarkers / blood; Blood Proteins / metabolism; Child; Child, Preschool; Chromatography, Liquid; Drug Therapy, Combination; Female; High-Throughput Screening Assays; Host-Pathogen Interactions; Humans; Infant; Infant, Newborn; Ion Mobility Spectrometry; Male; Mass Spectrometry; Middle Aged; North America; Predictive Value of Tests; Prospective Studies; Protein Interaction Maps; Proteomics / methods; South Africa; Spain; Time Factors; Treatment Outcome; Tuberculosis, Pulmonary / blood; Tuberculosis, Pulmonary / diagnosis; Tuberculosis, Pulmonary / drug therapy; Tuberculosis, Pulmonary / microbiology; Uganda; Young Adult
TL;DR:
If validated in cohorts with long term follow-up to capture failure and relapse of TB, these protein markers could be developed for monitoring of treatment in clinical trials and in patient care.
(via Semantic Scholar)
UN Sustainable Development Goal Categories
3. Good Health and Well-being
(OpenAlex)
Source: ORCID
Added: December 5, 2019
2018 journal article
Cell type-resolved human lung lipidome reveals cellular cooperation in lung function
Scientific Reports, 8(1).
Contributors: J. Kyle *, G. Clair *, G. Bandyopadhyay *, R. Misra *, E. Zink *, K. Bloodsworth *, A. Shukla *, Y. Du *
MeSH headings : Databases, Protein; Female; Humans; Lipid Metabolism / physiology; Lung / cytology; Lung / physiology; Male
TL;DR:
Lipidomics analyses showed significant variations in the lipidome across major human lung cell types, with differences most evident at the subclass and intra-subclass level, and lipidomic signatures revealed an overarching posture of high cellular cooperation within the human lung to support critical functions.
(via Semantic Scholar)
Source: ORCID
Added: December 5, 2019
2018 journal article
Comparing residential contamination in a Houston environmental justice neighborhood before and after Hurricane Harvey
PLoS ONE, 13(2).
Contributors: J. Horney *, G. Casillas *, * , K. Stone *, K. Kirsch *, K. Camargo *, T. Wade *, T. McDonald *
MeSH headings : Cyclonic Storms; Environmental Pollutants / analysis; Gas Chromatography-Mass Spectrometry; Polycyclic Aromatic Hydrocarbons / analysis; Residence Characteristics; Texas
TL;DR:
A small longitudinal study to assess domestic exposure to PAHs among residents of Manchester, an environmental justice neighborhood located in the East End of Houston, TX, found evidence of redistribution ofPAHs due to extreme flooding associated with Hurricane Harvey.
(via Semantic Scholar)
Source: ORCID
Added: December 5, 2019
2018 journal article
Distinguishing enantiomeric amino acids with chiral cyclodextrin adducts and structures for lossless ion manipulations
Electrophoresis, 39(24), 3148–3155.
Contributors: G. Nagy *, C. Chouinard *, I. Attah *, I. Webb *, S. Garimella *, Y. Ibrahim *, * , R. Smith *
author keywords: Chiral separations; Cyclodextrins; Enantiomers; Ion mobility-mass spectrometry; Structures for lossless ion manipulations
MeSH headings : Amino Acids / analysis; Amino Acids / chemistry; Amino Acids / isolation & purification; Cyclodextrins / chemistry; Ions; Mass Spectrometry / methods; Models, Molecular; Stereoisomerism
TL;DR:
The SLIM was used to accumulate much larger ion populations than previously feasible for evaluation and therefore allow enantiomeric measurements of higher sensitivity, with gains in resolution from the ultralong path separation capabilities, than previously reported by any other IM–based approach.
(via Semantic Scholar)
Source: ORCID
Added: December 5, 2019
2018 journal article
Editorial overview: Omics
Current Opinion in Chemical Biology, 42, A1–A2.
Contributors: P. Barran * & *
MeSH headings : Genomics / methods; Humans; Ion Mobility Spectrometry / methods; Lipid Metabolism; Mass Spectrometry / methods; Metabolomics / methods; Proteomics / methods
Source: ORCID
Added: December 5, 2019
2018 journal article
Evaluating lipid mediator structural complexity using ion mobility spectrometry combined with mass spectrometry
Bioanalysis, 10(5), 279–289.
Contributors: J. Kyle *, N. Aly*, X. Zheng *, K. Burnum-Johnson *, R. Smith * & *
author keywords: collision cross-section; ion mobility spectrometry; lipid mediators
MeSH headings : Animals; Arachidonic Acid / chemistry; Chromatography, Liquid; Docosahexaenoic Acids / analogs & derivatives; Docosahexaenoic Acids / chemistry; Humans; Influenza A virus / growth & development; Ion Mobility Spectrometry; Isomerism; Linoleic Acid / chemistry; Lung / virology; Mass Spectrometry; Mice; Tissue Extracts / chemistry
TL;DR:
Adding IMS separations to conventional LC-MS analyses show great utility for enabling better identification and characterization of LMs in complex biological samples.
(via Semantic Scholar)
Source: ORCID
Added: December 5, 2019
2018 journal article
Guest editor's personal foreward
International Journal of Mass Spectrometry, 427, 1–3.
Source: ORCID
Added: December 5, 2019
2018 journal article
High-throughput serum proteomics for the identification of protein biomarkers of mortality in older men
Aging Cell, 17(2).
Contributors: E. Orwoll *, J. Wiedrick*, J. Jacobs *, * , P. Piehowski *, V. Petyuk *, Y. Gao *, T. Shi *
author keywords: aging; biomarker; inflammation; men; mortality; proteomics
MeSH headings : Biomarkers / chemistry; Humans; Male; Mortality; Proteomics / methods
TL;DR:
The results suggest that complex inflammatory pathways, and proteins in other pathways, are linked to 5‐year mortality risk.
(via Semantic Scholar)
UN Sustainable Development Goal Categories
3. Good Health and Well-being
(OpenAlex)
Source: ORCID
Added: December 5, 2019
2018 journal article
Improved Sensitivity and Separations for Phosphopeptides using Online Liquid Chromotography Coupled with Structures for Lossless Ion Manipulations Ion Mobility-Mass Spectrometry
Analytical Chemistry, 90(18), 10889–10896.
Contributors: C. Chouinard *, G. Nagy *, I. Webb *, T. Shi *, * , S. Prost *, T. Liu *, Y. Ibrahim *, R. Smith *
MeSH headings : Amino Acid Sequence; Bacterial Proteins / analysis; Bacterial Proteins / isolation & purification; Chromatography, Reverse-Phase / methods; Humans; Ion Mobility Spectrometry / methods; Isomerism; Mass Spectrometry / methods; Phosphopeptides / analysis; Phosphopeptides / isolation & purification; Shewanella / chemistry
TL;DR:
LC-SLIM IM-MS offers great potential for improving the sensitivity, separation, and throughput of phosphoproteomics analyses, with additional gains projected with the future use of longer path SLIM IM separations.
(via Semantic Scholar)
Source: ORCID
Added: December 5, 2019
2018 book
Ion Mobility-Mass Spectrometry in Metabolomic, Lipidomic, and Proteomic Analyses
In Comprehensive Analytical Chemistry (Vol. 83, pp. 123–159).
Contributors: C. Chouinard *, G. Nagy *, R. Smith * & *
TL;DR:
Ion mobility-mass spectrometry (IMS-MS) has become an advanced proteomics tool not only for bottom-up peptide identification and quantitation but also for the study of native/intact proteins and their role in structural biology and disease progression.
(via Semantic Scholar)
Source: ORCID
Added: December 5, 2019
2018 content posted
Lactobacillus acidophilus disrupts collaborative multispecies bile acid metabolism
TL;DR:
It is discovered that a decrease in ursocholate abundance corresponded with successful weight loss in patients after gastric bypass surgery versus those who did not lose weight after surgery, which highlights a new microbe-to-microbe interaction mediated by bile acids.
(via Semantic Scholar)
Sources: Crossref, NC State University Libraries
Added: December 16, 2019
2018 journal article
Rapid Ion Mobility Separations of Bile Acid Isomers Using Cyclodextrin Adducts and Structures for Lossless Ion Manipulations
Analytical Chemistry, 90(18), 11086–11091.
Contributors: C. Chouinard *, G. Nagy *, I. Webb *, S. Garimella *, * , Y. Ibrahim *, R. Smith *
MeSH headings : Bile Acids and Salts / chemistry; Bile Acids and Salts / isolation & purification; Cyclodextrins / chemistry; Ions / chemistry; Ions / isolation & purification; Isomerism; Mass Spectrometry / economics; Mass Spectrometry / methods; Models, Molecular; Time Factors
TL;DR:
Cyclodextrin adducts were utilized in conjunction with novel ion mobility (IM) separation capabilities provided by structures for lossless ion manipulations (SLIM) that resulted in much higher resolution separations and increased signal intensities for the BA isomers studied.
(via Semantic Scholar)
UN Sustainable Development Goal Categories
1. No Poverty
(OpenAlex)
Source: ORCID
Added: December 5, 2019
2018 journal article
The MPLEx protocol for multi-omic analyses of soil samples
Journal of Visualized Experiments, 2018(135).
Contributors: C. Nicora *, K. Burnum-Johnson *, E. Nakayasu *, C. Casey *, R. White *, T. Chowdhury *, J. Kyle *, Y. Kim *
author keywords: Chemistry; Issue 135; MPLEx; Metaproteomics; Lipidomics; Metabolomics; Multi-omics; Mass Spectrometry
MeSH headings : Mass Spectrometry / methods; Metabolomics / methods; Soil / chemistry
TL;DR:
A 3-in-1 method for the simultaneous extraction of metabolites, proteins, and lipids from the same soil sample was created by adapting a solvent-based approach, which has proven to be both simple and robust for many sample types, even when utilized for limited quantities of complex soil samples.
(via Semantic Scholar)
UN Sustainable Development Goal Categories
15. Life on Land
(OpenAlex)
Source: ORCID
Added: December 5, 2019
2018 journal article
Unraveling the isomeric heterogeneity of glycans: Ion mobility separations in structures for lossless ion manipulations
Chemical Communications, 54(83), 11701–11704.
Contributors: G. Nagy *, I. Attah *, S. Garimella *, K. Tang *, Y. Ibrahim *, * , R. Smith *
TL;DR:
A structures for lossless ion manipulations (SLIM) serpentine ultra-long path with extended routing (SUPER) ion mobility-mass spectrometry platform to achieve much higher resolution of isomeric glycoforms to address the challenges associated with glycan analyses.
(via Semantic Scholar)
Source: ORCID
Added: December 5, 2019
2018 journal article
Using Skyline to Analyze Data-Containing Liquid Chromatography, Ion Mobility Spectrometry, and Mass Spectrometry Dimensions
Journal of the American Society for Mass Spectrometry, 29(11), 2182–2188.
Contributors: B. MacLean *, B. Pratt *, J. Egertson *, M. MacCoss *, R. Smith * & *
author keywords: Ion mobility spectrometry; Skyline; Data independent acquisition; Proteomics
TL;DR:
This study showcases Skyline’s ability to work with the multidimensional LC-IMS-CID-MS data and provide biological and environmental insights rapidly and presents an important informatics development.
(via Semantic Scholar)
Source: ORCID
Added: December 5, 2019
2018 journal article
Utilizing Ion Mobility Spectrometry and Mass Spectrometry for the Analysis of Polycyclic Aromatic Hydrocarbons, Polychlorinated Biphenyls, Polybrominated Diphenyl Ethers and Their Metabolites
Analytica Chimica Acta, 1037, 265–273.
Contributors: X. Zheng *, K. Dupuis*, N. Aly*, Y. Zhou *, F. Smith*, K. Tang *, R. Smith *, *
author keywords: Ion mobility spectrometry; Collision cross section; Xenobiotics; Polycyclic aromatic hydrocarbons; Polychlorinated biphenyls; Polybrominated diphenyl ethers; Electrospray ionization; Atmospheric pressure chemical ionization; Atmospheric pressure photoionization
MeSH headings : Chromatography, Liquid; Halogenated Diphenyl Ethers / analysis; Halogenated Diphenyl Ethers / metabolism; Ion Mobility Spectrometry; Mass Spectrometry; Molecular Structure; Polybrominated Biphenyls / analysis; Polybrominated Biphenyls / metabolism; Polycyclic Aromatic Hydrocarbons / analysis; Polycyclic Aromatic Hydrocarbons / metabolism
TL;DR:
The rapid isomeric and molecular separations possible with IMS-MS showed great promise for quickly distinguishing the parent and metabolized PAH, PCB, and PDBE molecules in complex environmental and biological samples.
(via Semantic Scholar)
Sources: ORCID, Web Of Science, NC State University Libraries
Added: December 5, 2019
2017 journal article
A Customizable Flow Injection System for Automated, High Throughput, and Time Sensitive Ion Mobility Spectrometry and Mass Spectrometry Measurements
Analytical Chemistry, 90(1), 737–744.
Contributors: D. Orton *, M. Tfaily *, R. Moore *, B. Lamarche*, X. Zheng *, T. Fillmore *, R. Chu *, K. Weitz *
MeSH headings : Escherichia coli / chemistry; Escherichia coli Proteins / chemistry; Flow Injection Analysis / instrumentation; Flow Injection Analysis / methods; Hydrogen-Ion Concentration; Ion Mobility Spectrometry / instrumentation; Ion Mobility Spectrometry / methods; Mass Spectrometry / instrumentation; Mass Spectrometry / methods; Soil / chemistry
TL;DR:
An automated, customizable FIA system capable of operating at a range of flow rates to accommodate both low- and high-flow MS ionization sources and showing a highly robust and reproducible platform capable of providing consistent performance over many days without carryover.
(via Semantic Scholar)
Source: ORCID
Added: December 5, 2019
2017 journal article
A structural examination and collision cross section database for over 500 metabolites and xenobiotics using drift tube ion mobility spectrometry
Chemical Science, 8(11), 7724–7736.
Contributors: X. Zheng *, N. Aly*, Y. Zhou *, K. Dupuis*, A. Bilbao *, V. Paurus *, D. Orton *, R. Wilson*
TL;DR:
The DTIMS collision cross section database for metabolites and xenobiotics shows clear trends in both the number of xenobiotic molecules and the proportions of these molecules in the blood stream are increasing.
(via Semantic Scholar)
Source: ORCID
Added: December 5, 2019
2017 journal article
An Interlaboratory Evaluation of Drift Tube Ion Mobility-Mass Spectrometry Collision Cross Section Measurements
Analytical Chemistry, 89(17), 9048–9055.
Contributors: S. Stow *, T. Causon *, X. Zheng *, R. Kurulugama *, T. Mairinger *, J. May *, E. Rennie *, *
MeSH headings : Calibration; Ion Mobility Spectrometry / methods; Laboratories / standards; Lipids / chemistry; Mass Spectrometry / methods; Molecular Structure; Nitrogen / chemistry; Proteins / chemistry; Reproducibility of Results
TL;DR:
Improvements on the measurement accuracy of experimental parameters influencing IM separations provide standardized drift tube, nitrogen CCS values (DTCCSN2) for over 120 unique ion species with the lowest measurement uncertainty to date.
(via Semantic Scholar)
UN Sustainable Development Goal Categories
14. Life Below Water
(OpenAlex)
Source: ORCID
Added: December 5, 2019
2017 journal article
An algorithm to correct saturated mass spectrometry ion abundances for enhanced quantitation and mass accuracy in omic studies
International Journal of Mass Spectrometry, 427, 91–99.
Contributors: A. Bilbao *, B. Gibbons *, G. Slysz *, K. Crowell*, M. Monroe *, Y. Ibrahim *, R. Smith *, S. Payne *, *
author keywords: Mass spectrometry; Detector saturation; Analog-to-digital converter saturation; Saturation correction; Isotopic envelope; Isotopic ratios; Quantitation
TL;DR:
The isotopic envelope for each observed ion above the saturation threshold is compared to its expected theoretical isotopic distribution and the most intense isotopic peak for which saturation does not occur is utilized to re-calculate the precursor m/z and correct the intensity, resulting in both higher mass accuracy and greater dynamic range.
(via Semantic Scholar)
Source: ORCID
Added: December 5, 2019
2017 journal article
Characterizing the lipid and metabolite changes associated with placental function and pregnancy complications using ion mobility spectrometry-mass spectrometry and mass spectrometry imaging
Placenta, 60, S67–S72.
Contributors: K. Burnum-Johnson *, * & T. Metz *
author keywords: Deep placentation; Pregnancy complications; Mass spectrometry imaging; Metabolome; Lipidome; Ion mobility spectrometry-mass spectrometry; Nano-DESI
MeSH headings : Animals; Chromatography, High Pressure Liquid; Embryo Implantation; Female; Humans; Ion Mobility Spectrometry; Lipid Metabolism; Metabolomics / methods; Metabolomics / trends; Models, Biological; Placenta / metabolism; Placenta / physiology; Placenta / physiopathology; Placentation; Pregnancy; Pregnancy Complications / metabolism; Pregnancy Complications / physiopathology; Spectrometry, Mass, Electrospray Ionization; Spectrometry, Mass, Secondary Ion
TL;DR:
Current analytical techniques for metabolomic and lipidomic characterization of pregnancy complications are described and the potential for new technologies to contribute to a better understanding of the molecular changes that affect the placenta and pregnancy outcomes is discussed.
(via Semantic Scholar)
UN Sustainable Development Goal Categories
3. Good Health and Well-being
(OpenAlex)
Source: ORCID
Added: December 5, 2019
2017 journal article
Compression Ratio Ion Mobility Programming (CRIMP) Accumulation and Compression of Billions of Ions for Ion Mobility-Mass Spectrometry Using Traveling Waves in Structures for Lossless Ion Manipulations (SLIM)
Analytical Chemistry, 89(12), 6432–6439.
Contributors: L. Deng *, S. Garimella *, A. Hamid *, I. Webb *, I. Attah *, R. Norheim*, S. Prost *, X. Zheng *
MeSH headings : Ion Mobility Spectrometry / instrumentation; Ions / chemistry; Mass Spectrometry / instrumentation; Peptides / analysis
TL;DR:
It is shown that extended ion accumulation in conjunction with CRIMP compression and multiple passes through the serpentine path provides the basis for a highly desirable combination of ultrahigh sensitivity and SLIM SUPER high-resolution IM separations.
(via Semantic Scholar)
Source: ORCID
Added: December 5, 2019
2017 book
Coupling front-end separations, ion mobility spectrometry, and mass spectrometry for enhanced multidimensional biological and environmental analyses
In Annual Review of Analytical Chemistry (Vol. 10, pp. 71–92).
Contributors: X. Zheng *, R. Wojcik *, X. Zhang *, Y. Ibrahim *, K. Burnum-Johnson *, D. Orton *, M. Monroe *, R. Moore *, R. Smith *, *
author keywords: drift tube IMS; gas chromatography; supercritical fluid chromatography; liquid chromatography; solid-phase extraction; capillary electrophoresis; field asymmetric ion mobility spectrometry; microfluidics; structure for lossless ion manipulations
MeSH headings : Bacterial Toxins / analysis; Chromatography, Liquid; Chromatography, Supercritical Fluid; Environmental Monitoring; Gases / chemistry; Ions / chemistry; Mass Spectrometry / instrumentation; Mass Spectrometry / methods; Microfluidics / methods; Pharmaceutical Preparations / analysis
TL;DR:
This review highlights three-dimensional separations using IMS-MS in conjunction with a range of front-end techniques, such as gas chromatography, supercritical fluidchromatography, liquid Chromatography, solid-phase extractions, capillary electrophoresis, field asymmetric ion mobility spectrometry, and microfluidic devices.
(via Semantic Scholar)
Source: ORCID
Added: December 5, 2019
2017 journal article
Distinguishing D- and L-aspartic and isoaspartic acids in amyloid β peptides with ultrahigh resolution ion mobility spectrometry
Chemical Communications, 53(56), 7913–7916.
Contributors: X. Zheng *, L. Deng *, * , Y. Ibrahim *, V. Petyuk * & R. Smith *
MeSH headings : Amyloid beta-Peptides / chemistry; Aspartic Acid / chemistry; Ion Mobility Spectrometry / methods; Isoaspartic Acid / chemistry; Peptide Fragments / chemistry; Protein Conformation; Stereoisomerism
TL;DR:
An ultrahigh resolution ion mobility spectrometry platform coupled with mass Spectrometry (IMS-MS) is utilized to separate amyloid β (Aβ) peptides containing l-aspartic acid, d-as Partic acid; the results illustrate how IMS-MS could be used to better understand age-related diseases or protein folding disorders resulting from amino acid modifications.
(via Semantic Scholar)
Sources: ORCID, Web Of Science, NC State University Libraries
Added: December 5, 2019
2017 journal article
Identification of Hip BMD Loss and Fracture Risk Markers Through Population-Based Serum Proteomics
Journal of Bone and Mineral Research, 32(7), 1559–1567.
Contributors: C. Nielson *, J. Wiedrick*, J. Shen *, J. Jacobs *, * , A. Baraff*, P. Piehowski *, C. Lee *
author keywords: BIOCHEMICAL MARKERS OF BONE TURNOVER; OSTEOPOROSIS; GENERAL POPULATION STUDIES
MeSH headings : Aged; Aged, 80 and over; Biomarkers / blood; Bone Density; Hip; Hip Fractures / blood; Humans; Male; Osteoporosis / blood; Osteoporosis / pathology; Peptides / blood; Proteome / metabolism; Proteomics
TL;DR:
Some proteins have been previously associated with fracture risk (eg, CD14 and SHBG), whereas others have roles in cellular senescence and aging and complement activation and innate immunity (CO7, CO9, CFAD).
(via Semantic Scholar)
Source: ORCID
Added: December 5, 2019
2017 journal article
Ligand induced structural isomerism in phosphine coordinated gold clusters revealed by ion mobility mass spectrometry
Chemical Communications, 53(53), 7389–7392.
Contributors: M. Ligare *, * , J. Laskin * & G. Johnson *
TL;DR:
These ligand-dependant structure-property relationships are critical to theoretical modeling of clusters as well as their applications in catalysis and photovoltaics.
(via Semantic Scholar)
Source: ORCID
Added: December 5, 2019
2017 journal article
Lipid and Glycolipid Isomer Analyses Using Ultra-High Resolution Ion Mobility Spectrometry Separations
International Journal of Molecular Sciences, 18(1).
Contributors: R. Wojcik *, I. Webb *, L. Deng *, S. Garimella *, S. Prost *, Y. Ibrahim *, * , R. Smith *
author keywords: lipids; glycolipids; isomers; ion mobility spectrometry
MeSH headings : Glycolipids / chemistry; Glycolipids / isolation & purification; Isomerism; Mass Spectrometry / methods
Source: ORCID
Added: December 5, 2019
2017 journal article
New frontiers for mass spectrometry based upon structures for lossless ion manipulations
Analyst, 142(7), 1010–1021.
Contributors: Y. Ibrahim *, A. Hamid *, L. Deng *, S. Garimella *, I. Webb *, * , R. Smith *
TL;DR:
The evolution of SLIM devices developed over the last three years is reviewed and the basis for previously impractical manipulations, such as very long path length ion mobility separations where ions traverse a serpentine path multiple times are provided.
(via Semantic Scholar)
Source: ORCID
Added: December 5, 2019
2017 journal article
Online Ozonolysis Combined with Ion Mobility-Mass Spectrometry Provides a New Platform for Lipid Isomer Analyses
Analytical Chemistry, 90(2), 1292–1300.
Contributors: B. Poad *, X. Zheng *, T. Mitchell *, R. Smith *, * & S. Blanksby *
MeSH headings : Chromatography, High Pressure Liquid / instrumentation; Equipment Design; Humans; Ion Mobility Spectrometry / instrumentation; Isomerism; Lipids / analysis; Lipids / blood; Ozone / chemistry; Tandem Mass Spectrometry / instrumentation
TL;DR:
The combination of OzID with multidimensional separations shows significant promise for facile profiling of unsaturation patterns within complex lipidomes including human plasma.
(via Semantic Scholar)
UN Sustainable Development Goal Categories
16. Peace, Justice and Strong Institutions
(OpenAlex)
Source: ORCID
Added: December 5, 2019
2017 journal article
PIXiE: an algorithm for automated ion mobility arrival time extraction and collision cross section calculation using global data association
Bioinformatics (Oxford, England), 33(17), 2715–2722.
Contributors: J. Ma *, C. Casey *, X. Zheng *, Y. Ibrahim *, C. Wilkins*, R. Renslow *, D. Thomas *, S. Payne *
MeSH headings : Algorithms; Computational Biology / methods; Mass Spectrometry / methods; Software
TL;DR:
To automatically extract arrival times for molecules measured by DTIMS at multiple electric fields and compute their associated collisional cross sections (CCS), the PNNL Ion Mobility Cross Section Extractor (PIXiE) is created.
(via Semantic Scholar)
Source: ORCID
Added: December 5, 2019
2017 journal article
Recent advances in lipid separations and structural elucidation using mass spectrometry combined with ion mobility spectrometry, ion-molecule reactions and fragmentation approaches
Current Opinion in Chemical Biology, 42, 111–118.
Contributors: X. Zheng *, R. Smith * & *
MeSH headings : Ion Mobility Spectrometry / methods; Isomerism; Lipids / chemistry; Lipids / classification; Lipids / isolation & purification; Mass Spectrometry / methods; Molecular Structure
TL;DR:
To aid in isomer characterization, ion mobility spectrometry separations, ion-molecule reactions and fragmentation techniques have increasingly been added to lipid analysis workflows and their capabilities for improving the identification of lipid species are reviewed.
(via Semantic Scholar)
UN Sustainable Development Goal Categories
15. Life on Land
(OpenAlex)
Source: ORCID
Added: December 5, 2019
2017 journal article
Serpentine Ultralong Path with Extended Routing (SUPER) High Resolution Traveling Wave Ion Mobility-MS using Structures for Lossless Ion Manipulations
Analytical Chemistry, 89(8), 4628–4634.
Contributors: L. Deng *, I. Webb *, S. Garimella *, A. Hamid *, X. Zheng *, R. Norheim*, S. Prost *, G. Anderson*
MeSH headings : Humans; Ion Mobility Spectrometry / methods; Ions / chemistry; Isomerism; Milk, Human / metabolism; Oligosaccharides / chemistry
TL;DR:
The new SLIM SUPER high resolution TWIM platform has broad utility in conjunction with MS and is expected to enable a broad range of previously challenging or intractable separations.
(via Semantic Scholar)
Source: ORCID
Added: December 5, 2019
2017 journal article
Structural Elucidation of cis/trans Dicaffeoylquinic Acid Photoisomerization Using Ion Mobility Spectrometry-Mass Spectrometry
Journal of Physical Chemistry Letters, 8(7), 1381–1388.
Contributors: X. Zheng *, R. Renslow *, M. Makola*, I. Webb *, L. Deng *, D. Thomas *, N. Govind *, Y. Ibrahim *
TL;DR:
This is the first report of successful differentiation of cis/trans diCQA isomers individually, which shows the great promise of IMS coupled with theoretical calculations for determining the structure and activity relationships of different isomers in drug discovery studies.
(via Semantic Scholar)
UN Sustainable Development Goal Categories
3. Good Health and Well-being
(OpenAlex)
Source: ORCID
Added: December 5, 2019
2017 journal article
Towards Discovery and Targeted Peptide Biomarker Detection Using nanoESI-TIMS-TOF MS
Journal of the American Society for Mass Spectrometry, 29(5), 817–826.
Contributors: A. Garabedian*, P. Benigni*, C. Ramirez *, * , T. Liu *, R. Smith *, F. Fernandez-Lima *
author keywords: Discovery and targeted monitoring; Trapped ion mobility spectrometry; Mass; Spectrometry; Biomarker detection; Quantitative proteomics
MeSH headings : Amino Acid Sequence; Biomarkers, Tumor / analysis; Breast Neoplasms / chemistry; Breast Neoplasms / pathology; Female; Humans; Ion Mobility Spectrometry / methods; Peptides / analysis; Proteomics / methods; Spectrometry, Mass, Electrospray Ionization / methods; Tandem Mass Spectrometry / methods; Workflow
TL;DR:
The TIMS-TOF MS analysis permitted peptide biomarker detection based on accurate mobility, mass measurements, and high sequence coverage for concentrations in the 10–200 nM range, while simultaneously achieving discovery measurements of not initially targeted peptides as markers from the same proteins and, eventually, other proteins.
(via Semantic Scholar)
Source: ORCID
Added: December 5, 2019
2016 journal article
A Structures for Lossless Ion Manipulations (SLIM) Module for Collision Induced Dissociation
Journal of the American Society For Mass Spectrometry, 27(7), 1285–1288.
Contributors: I. Webb *, S. Garimella *, R. Norheim*, * , Y. Ibrahim * & R. Smith *
author keywords: Collision induced dissociation; Ion mobility spectrometry; rf Confinement; Ion optics; Peptide fragmentation; Manipulation; Conveyor
TL;DR:
The SLIM CID module was mounted after an ion mobility (IM) drift tube to enable IM/CID/MS studies, and the efficiency of CID was studied by using the model peptide leucine enkephalin.
(via Semantic Scholar)
Source: ORCID
Added: December 5, 2019
2016 journal article
A multi-omic future for microbiome studies
Nature Microbiology, 1(5).
Contributors: J. Jansson * & *
MeSH headings : Gene Expression Profiling; Humans; Metabolomics; Metagenomics; Microbiota; Proteomics
TL;DR:
Integration of multiple ‘omics’ technologies will allow researchers to gain a more complete picture of the constituents and functions of microbial communities and provide far richer information for predictive modelling of community phenotypes.
(via Semantic Scholar)
Source: ORCID
Added: December 5, 2019
2016 journal article
Achieving High Resolution Ion Mobility Separations Using Traveling Waves in Compact Multiturn Structures for Lossless Ion Manipulations
Analytical Chemistry, 88(18), 8949–8956.
Contributors: A. Hamid *, S. Garimella *, Y. Ibrahim *, L. Deng *, X. Zheng *, I. Webb *, G. Anderson*, S. Prost *
MeSH headings : Algorithms; Amino Acid Sequence; Bradykinin / analysis; Equipment Design; Ions / chemistry; Mass Spectrometry / methods; Peptides / analysis
TL;DR:
The combined attributes of flexible design, low voltage requirements and lossless ion transmission through multiple turns for the present TW-SLIM module provides a basis for SLIM devices capable of achieving much greater IM resolution via greatly extended ion path lengths and using compact serpentine designs.
(via Semantic Scholar)
UN Sustainable Development Goal Categories
7. Affordable and Clean Energy
(OpenAlex)
Source: ORCID
Added: December 5, 2019
2016 journal article
Comparing identified and statistically significant lipids and polar metabolites in 15-year old serum and dried blood spot samples for longitudinal studies
Rapid Communications in Mass Spectrometry, 31(5), 447–456.
Contributors: J. Kyle *, C. Casey *, K. Stratton *, E. Zink *, Y. Kim *, X. Zheng *, M. Monroe *, K. Weitz *
TL;DR:
The difference in the number of statistically significant polar metabolites and lipids indicated that the lipids did not degrade to as great of a degree as the polar metabolites in the DBS samples and lipid quantitation was still possible.
(via Semantic Scholar)
Source: ORCID
Added: December 5, 2019
2016 chapter
Conventional and Advanced Separations in Mass Spectrometry-Based Metabolomics: Methodologies and Applications
In Encyclopedia of Spectroscopy and Spectrometry (pp. 376–384).
Contributors: H. Heyman *, X. Zhang *, K. Tang *, * & T. Metz *
Sources: ORCID, Crossref, NC State University Libraries
Added: December 5, 2019
2016 journal article
Development of an Ion Mobility Spectrometry-Orbitrap Mass Spectrometer Platform
Analytical Chemistry, 88(24), 12152–12160.
Contributors: Y. Ibrahim *, S. Garimella *, S. Prost *, R. Wojcik *, R. Norheim*, * , I. Rusyn *, R. Smith *
MeSH headings : Algorithms; Animals; Artifacts; Cattle; Equipment Design; Ion Mobility Spectrometry / instrumentation; Ions / analysis; Mass Spectrometry / instrumentation; Petroleum / analysis; Phosphopyruvate Hydratase / chemistry; Proteomics / instrumentation; Serum Albumin, Bovine / chemistry
TL;DR:
The new IMS-Orbitrap MS platform was demonstrated by the analysis of proteomic and petroleum samples, where the integration of IMS and high mass resolution proved essential for accurate assignment of molecular formulas.
(via Semantic Scholar)
Source: ORCID
Added: December 5, 2019
2016 journal article
Enhancing glycan isomer separations with metal ions and positive and negative polarity ion mobility spectrometry-mass spectrometry analyses
Analytical and Bioanalytical Chemistry, 409(2), 467–476.
Contributors: X. Zheng *, X. Zhang *, N. Schocker*, R. Renslow *, D. Orton *, J. Khamsi*, R. Ashmus *, I. Almeida *
author keywords: Ion mobility spectrometry; Mass spectrometry; Glycans; O-Glycans; Isomers
MeSH headings : Chemistry Techniques, Analytical / methods; Ion Mobility Spectrometry; Ions / chemistry; Isomerism; Mass Spectrometry; Metals / chemistry; Polysaccharides / chemistry; Polysaccharides / isolation & purification
TL;DR:
Ims-MS results showed significant differences for the glycan structural isomers when analyzed in positive and negative polarity and complexed with different metal cations, and suggest that specific metal ions or ion polarities could be used to target and baseline separate glycan isomers of interest with IMS-MS.
(via Semantic Scholar)
Source: ORCID
Added: December 5, 2019
2016 journal article
Greatly Increasing Trapped Ion Populations for Mobility Separations Using Traveling Waves in Structures for Lossless Ion Manipulations
Analytical Chemistry, 88(20), 10143–10150.
Contributors: L. Deng *, Y. Ibrahim *, S. Garimella *, I. Webb *, A. Hamid *, R. Norheim*, S. Prost *, J. Sandoval*, * , R. Smith *
TL;DR:
Wide m/z range ion transmission is demonstrated, along with significant increases in the signal-to-noise ratios (S/N) due to the larger ion populations injected and a reduction in the chemical background, which was attributed to more efficient desolvation of solvent related clusters over the extended ion accumulation periods.
(via Semantic Scholar)
Source: ORCID
Added: December 5, 2019
2016 journal article
Integrating ion mobility spectrometry into mass spectrometry-based exposome measurements: what can it add and how far can it go?
Bioanalysis, 9(1), 81–98.
Contributors: T. Metz *, * , E. Schymanski *, R. Renslow *, D. Thomas *, T. Causon *, I. Webb *, S. Hann *, R. Smith *, J. Teeguarden *
author keywords: collision cross section; exposome; ion mobility spectrometry; mass spectrometry; metabolome
MeSH headings : Animals; Chromatography, Liquid / methods; Computational Biology / methods; High-Throughput Screening Assays / methods; Humans; Mass Spectrometry / methods; Metabolome; Workflow
TL;DR:
The state-of-the-art in measuring the exposome is reviewed, the potential use for IMS-MS and the physico-chemical property of collisional cross section in both exposure assessment and molecular identification is discussed.
(via Semantic Scholar)
Source: ORCID
Added: December 5, 2019
2016 journal article
Ion Mobility Separations of Isomers based upon Long Path Length Structures for Lossless Ion Manipulations Combined with Mass Spectrometry
Chemistryselect, 1(10), 2396–2399.
Contributors: L. Deng *, Y. Ibrahim *, * , N. Aly*, A. Hamid *, X. Zhang *, X. Zheng *, S. Garimella *
author keywords: Structures for Lossless Ion Manipulations (SLIM); Ion Mobility Spectrometry; Mass Spectrometry; Isomers
TL;DR:
A new approach using Structures for Lossless Ion Manipulations (SLIM) to enable long serpentine path ion mobility spectrometry (IMS) separations followed by MS analyses, which provides previously unachieved resolution for biomolecular species, in conjunction with more effective ion utilization.
(via Semantic Scholar)
UN Sustainable Development Goal Categories
15. Life on Land
(OpenAlex)
Source: ORCID
Added: December 5, 2019
2016 journal article
Mass spectrometry-based monitoring of millisecond protein-ligand binding dynamics using an automated microfluidic platform
Lab on a Chip, 16(9), 1544–1548.
Contributors: Y. Cong *, S. Katipamula*, C. Trader *, D. Orton *, T. Geng *, * , R. Kelly *
MeSH headings : Algorithms; Automation, Laboratory; Carbonic Anhydrase I / antagonists & inhibitors; Carbonic Anhydrase I / chemistry; Carbonic Anhydrase I / metabolism; Carbonic Anhydrase Inhibitors / chemistry; Carbonic Anhydrase Inhibitors / metabolism; Carbonic Anhydrase Inhibitors / pharmacology; Diffusion; Diuretics / chemistry; Diuretics / metabolism; Diuretics / pharmacology; Equipment Design; Furosemide / chemistry; Furosemide / metabolism; Humans; Kinetics; Lab-On-A-Chip Devices; Ligands; Reproducibility of Results; Spectrometry, Mass, Electrospray Ionization
TL;DR:
A novel microfluidic platform that features rapid mixing of protein and ligand solutions, variable incubation times, and an integrated electrospray ionization source for mass spectrometry-based monitoring of protein-ligand binding dynamics is presented.
(via Semantic Scholar)
Source: ORCID
Added: December 5, 2019
2016 journal article
Mobility-Selected Ion Trapping and Enrichment Using Structures for Lossless Ion Manipulations
Analytical Chemistry, 88(3), 1728–1733.
Contributors: T. Chen*, Y. Ibrahim *, I. Webb *, S. Garimella *, X. Zhang *, A. Hamid *, L. Deng *, W. Karnesky*
MeSH headings : Humans; Ions / chemistry; Mass Spectrometry / methods; Peptides / analysis; Protein Conformation
TL;DR:
An ion separation and trapping module and a method based upon SLIM that consists of a linear mobility ion drift region, a switch/tee and a trapping region that allows the isolation and accumulation of mobility-separated species are demonstrated.
(via Semantic Scholar)
Source: ORCID
Added: December 5, 2019
2016 journal article
Profiling microbial lignocellulose degradation and utilization by emergent omics technologies
Critical Reviews in Biotechnology, 37(5), 626–640.
Contributors: J. Rosnow *, L. Anderson *, R. Nair *, * & A. Wright *
author keywords: Genomics; proteomics; transcriptomics; NMR; fluorescence-activated cell sorting; metabolomics; activity-based probes
MeSH headings : Biofuels; Lignin / metabolism
TL;DR:
New technologies are yielding important insights into microbial functions and strategies employed to degrade lignocellulose, providing a mechanistic blueprint in order to advance biofuel production.
(via Semantic Scholar)
Sources: ORCID, Web Of Science, NC State University Libraries
Added: December 5, 2019
2016 journal article
SPE-IMS-MS: An automated platform for sub-sixty second surveillance of endogenous metabolites and xenobiotics in biofluids
Clinical Mass Spectrometry, 2, 1–10.
Contributors: X. Zhang *, M. Romm*, X. Zheng *, E. Zink *, Y. Kim *, K. Burnum-Johnson *, D. Orton *, A. Apffel*
author keywords: Ion mobility spectrometry; Mass spectrometry; Metabolomics; Exposomics
TL;DR:
This SPE-IMS-MS platform overcomes many of the current challenges of large-scale metabolomic and exposomic analyses and offers a viable option for population and patient cohort screening in an effort to gain insights into disease processes and human environmental chemical exposure.
(via Semantic Scholar)
Source: ORCID
Added: December 5, 2019
2016 journal article
Simultaneous Proteomic Discovery and Targeted Monitoring using Liquid Chromatography, Ion Mobility Spectrometry, and Mass Spectrometry
Molecular &Amp; Cellular Proteomics, 15(12), 3694–3705.
Contributors: K. Burnum-Johnson *, S. Nie*, C. Casey *, M. Monroe *, D. Orton *, Y. Ibrahim *, M. Gritsenko *, T. Clauss*
MeSH headings : Animals; Breast Neoplasms / metabolism; Chromatography, Liquid / methods; Female; Humans; Mass Spectrometry / methods; Mice; Neoplasm Transplantation; Peptides / analysis; Proteome / isolation & purification; Proteomics / methods
TL;DR:
A new approach is described that performs both discovery and targeted monitoring (DTM) in a single analysis by combining liquid chromatography, ion mobility spectrometry and mass Spectrometry (LC-IMS-MS).
(via Semantic Scholar)
Source: ORCID
Added: December 5, 2019
2016 journal article
Spatial Ion Peak Compression and its Utility in Ion Mobility Spectrometry
Journal of the American Society For Mass Spectrometry, 27(6), 1128–1135.
Contributors: S. Garimella *, Y. Ibrahim *, K. Tang *, I. Webb *, * , A. Tolmachev *, T. Chen*, G. Anderson*, R. Smith *
author keywords: Ion mobility spectrometry; Diffusion; Peak compression; High resolution IMS
MeSH headings : Ion Mobility Spectrometry; Ions; Pressure
TL;DR:
A novel concept for ion spatial peak compression is described, and discussed primarily in the context of ion mobility spectrometry (IMS), which can be particularly useful for mitigating diffusion-driven peak broadening over very long path length separations and for achieving higher S/N and IMS resolution over a selected mobility range.
(via Semantic Scholar)
Source: ORCID
Added: December 5, 2019
2016 journal article
Squeezing of Ion Populations and Peaks in Traveling Wave Ion Mobility Separations and Structures for Lossless Ion Manipulations Using Compression Ratio Ion Mobility Programming
Analytical Chemistry, 88(23), 11877–11885.
Contributors: S. Garimella *, A. Hamid *, L. Deng *, Y. Ibrahim *, I. Webb *, * , S. Prost *, R. Norheim*, G. Anderson*, R. Smith *
MeSH headings : Electrodes; Ions / chemistry; Ions / isolation & purification; Mass Spectrometry / instrumentation; Mass Spectrometry / methods; Molecular Structure
TL;DR:
This work collapses ion distributions in ion mobility (IM) separations into tighter packets providing higher sensitivity measurements in conjunction with mass spectrometry (MS), providing greatly enhanced IM resolution by reducing the detrimental effects of diffusional peak broadening and increasing peak widths.
(via Semantic Scholar)
Source: ORCID
Added: December 5, 2019
2016 journal article
Surprising impact of remote groups on the folding-unfolding and dimer-chain equilibria of bifunctional H-bonding unimers
Chemical Communications, 52(19), 3773–3776.
Contributors: R. Liu *, S. Cheng *, * , R. Smith *, X. Zeng * & B. Gong *
MeSH headings : Amides / chemistry; Dimerization; Hydrogen Bonding; Proton Magnetic Resonance Spectroscopy
TL;DR:
Replacing the side chains and end groups ofligoamide 1 with derivatives that show the surprising impact of end groups on the folding and dimer-chain equilibria of the resultant molecules.
(via Semantic Scholar)
Source: ORCID
Added: December 5, 2019
2016 journal article
Surprising impact of remote groups on the folding-unfolding and dimer-chain equilibria of bifunctional H-bonding unimers (vol 52, pg 3773, 2016)
Chemical Communications, 52(29), 5205.
Contributors: R. Liu *, S. Chen *, * , R. Smith *, X. Zeng * & B. Gong *
Source: ORCID
Added: December 5, 2019
2016 journal article
The fungal cultivar of leaf-cutter ants produces specific enzymes in response to different plant substrates
Molecular Ecology, 25(22), 5795–5805.
Contributors: L. Khadempour *, K. Burnum-Johnson *, * , C. Nicora *, B. Webb-Robertson *, R. White *, M. Monroe *, E. Huang *, R. Smith *, C. Currie *
author keywords: fungi; leaf-cutter ants; metaproteomics; microbial ecology; symbiosis
MeSH headings : Agaricales / enzymology; Animals; Ants / microbiology; Flowers / metabolism; Fungal Proteins / metabolism; Plant Leaves / metabolism; Plants / metabolism; Proteomics; Symbiosis
TL;DR:
Flexible, substrate‐specific enzymatic response of the fungal cultivar allows leaf‐cutter ants to derive energy from a wide range of substrates, which likely contributes to their ability to be dominant generalist herbivores.
(via Semantic Scholar)
Source: ORCID
Added: December 5, 2019
2016 journal article
The past, present and future of microbiome analyses
Nature Protocols, 11(11), 4–8.
Contributors: R. White *, S. Callister *, R. Moore *, * & J. Jansson *
TL;DR:
Key improvements in multi-omic environmental and human microbiome analyses are reviewed, and developments required to address current measurement shortcomings are discussed.
(via Semantic Scholar)
UN Sustainable Development Goal Categories
2. Zero Hunger
(OpenAlex)
Source: ORCID
Added: December 5, 2019
2016 journal article
Ultra-High Resolution Ion Mobility Separations Utilizing Traveling Waves in a 13 m Serpentine Path Length Structures for Lossless Ion Manipulations Module
Analytical Chemistry, 88(18), 8957–8964.
Contributors: L. Deng *, Y. Ibrahim *, A. Hamid *, S. Garimella *, I. Webb *, X. Zheng *, S. Prost *, J. Sandoval*
MeSH headings : Animals; Cattle; Electrodes; Electromagnetic Phenomena; Equipment Design; Ions / analysis; Isomerism; Mass Spectrometry / instrumentation; Mass Spectrometry / methods; Oligosaccharides / analysis; Oligosaccharides / chemistry; Peptides / analysis; Serum Albumin, Bovine / chemistry
TL;DR:
The development and initial evaluation of a 13 m path length Structures for Lossless Manipulations (SLIM) module for achieving high resolution separations using traveling waves (TW) with ion mobility (IM) spectrometry and it provides a foundation for the development of much higher resolution SLIM devices based upon both considerably longer path lengths and multipass designs.
(via Semantic Scholar)
Source: ORCID
Added: December 5, 2019
2016 journal article
Uncovering biologically significant lipid isomers with liquid chromatography, ion mobility spectrometry and mass spectrometry
Analyst, 141(5), 1649–1659.
Contributors: J. Kyle *, X. Zhang *, K. Weitz *, M. Monroe *, Y. Ibrahim *, R. Moore *, J. Cha*, X. Sun *
MeSH headings : Chromatography, Liquid / methods; Fatty Acids / chemistry; Fatty Acids / metabolism; Lipids / chemistry; Lipids / isolation & purification; Mass Spectrometry / methods; Metabolomics / methods; Stereoisomerism
TL;DR:
It is shown that combining liquid chromatography and structurally-based ion mobility spectrometry (IMS) measurement with MS analyses distinguishes lipid isomers and allows insight into biological and disease processes.
(via Semantic Scholar)
Source: ORCID
Added: December 5, 2019
2015 journal article
Enhancing biological analyses with three dimensional field asymmetric ion mobility, low field drift tube ion mobility and mass spectrometry (μFAIMS/IMS-MS) separations
Analyst, 140(20), 6955–6963.
Contributors: X. Zhang *, Y. Ibrahim *, T. Chen*, J. Kyle *, R. Norheim*, M. Monroe *, R. Smith *, *
MeSH headings : Animals; Cattle; Mass Spectrometry / methods; Motion; Peptide Fragments / chemistry; Peptide Fragments / isolation & purification; Proteolysis; Serum Albumin, Bovine / chemistry; Serum Albumin, Bovine / metabolism; Trypsin / metabolism
TL;DR:
The μFAIMS/IMS-MS platform was used to analyze biological samples and simultaneously acquire multidimensional FAIMS compensation fields, IMS drift times, and accurate ion masses for the detected features, which increased the overall measurement separation power, resulting in greater information content and more complete characterization of the complex samples.
(via Semantic Scholar)
Source: ORCID
Added: December 5, 2019
2015 journal article
Enhancing bottom-up and top-down proteomic measurements with ion mobility separations
Proteomics, 15(16), 2766–2776.
Contributors: * , K. Burnum-Johnson *, Y. Ibrahim *, D. Orton *, M. Monroe *, R. Kelly *, R. Moore *, X. Zhang *
author keywords: Ion mobility separations; Ion mobility spectrometry; Mass spectrometry; Proteomics
MeSH headings : Chromatography, Liquid / methods; Complex Mixtures; Mass Spectrometry / methods; Peptides / analysis; Peptides / chemistry; Proteins / analysis; Proteins / chemistry; Proteomics / methods
TL;DR:
Applications illustrating increased sensitivity, throughput, and structural information by utilizing IMS–MS and LC–IMS–MS measurements for both bottom‐up and top‐down proteomics measurements are reported on.
(via Semantic Scholar)
Source: ORCID
Added: December 5, 2019
2015 journal article
Ion Trapping, Storage, and Ejection in Structures for Lossless Ion Manipulations
Analytical Chemistry, 87(12), 6010–6016.
Contributors: X. Zhang *, S. Garimella *, S. Prost *, I. Webb *, T. Chen*, K. Tang *, A. Tolmachev*, R. Norheim*
MeSH headings : Electrodes; Ions / analysis; Mass Spectrometry / instrumentation
TL;DR:
It is shown that ions can be trapped and accumulated with up to 100% efficiency, stored for at least 5 h with no significant losses, and then could be rapidly ejected from the SLIM trap.
(via Semantic Scholar)
Sources: ORCID, Web Of Science, NC State University Libraries
Added: December 5, 2019
2015 journal article
Ion manipulations in structures for lossless ion manipulations (SLIM): computational evaluation of a 90° turn and a switch.
The Analyst, 140(20), 6845–6852.
Contributors: S. Garimella *, Y. Ibrahim *, I. Webb *, A. Ipsen *, T. Chen*, A. Tolmachev*, * , G. Anderson*, R. Smith *
MeSH headings : Mass Spectrometry / methods; Models, Theoretical; Motion; Pressure
TL;DR:
More robust SLIM designs that reduce the race track effect while maximizing ion transmission are reported, and the dynamic switching of ions into orthogonal channels was also evaluated both using SIMION ion trajectory simulations and experimentally.
(via Semantic Scholar)
UN Sustainable Development Goal Categories
7. Affordable and Clean Energy
(OpenAlex)
Source: ORCID
Added: December 5, 2019
2015 chapter
Mass Spectrometry for Biomarker Development
In V. R. Preedy & V. B. Patel (Eds.), General Methods in Biomarker Research and their Applications (pp. 17–48). New York, NY: Springer.
Ed(s): V. Preedy & V. Patel
Source: NC State University Libraries
Added: November 14, 2020
2015 book
Mass spectrometry for biomarker development
In General Methods in Biomarker Research and their Applications (Vol. 1-2, pp. 17–48).
Contributors: C. Wu*, T. Liu *, * , K. Rodland * & R. Smith *
Source: ORCID
Added: December 5, 2019
2015 journal article
Muscle Segment Homeobox Genes Direct Embryonic Diapause by Limiting Inflammation in the Uterus
Journal of Biological Chemistry, 290(24), 15337–15349.
Contributors: J. Cha, K. Burnum-Johnson *, A. Bartos, Y. Li, * , S. Tilton *, B. Webb-Robertson *, P. Piehowski
MeSH headings : Animals; Embryonic Development / genetics; Female; Genes, Homeobox; Homeodomain Proteins / genetics; Homeodomain Proteins / physiology; Inflammation / genetics; MSX1 Transcription Factor / genetics; MSX1 Transcription Factor / physiology; Mice; Mice, Knockout; Muscle, Smooth / pathology; Pregnancy; Uterus / metabolism; Uterus / pathology
TL;DR:
It is found that uterine Msx expression persists during diapause across species; their inactivation in the mouse uterus results in termination of diAPause with the development of implantation-like responses (“pseudoimplantation”) that ultimately succumbed to resorption.
(via Semantic Scholar)
Source: ORCID
Added: December 5, 2019
2014 journal article
Advancing the High Throughput Identification of Liver Fibrosis Protein Signatures Using Multiplexed Ion Mobility Spectrometry*
Molecular &Amp; Cellular Proteomics, 13(4), 1119–1127.
Contributors: * , K. Burnum-Johnson *, J. Jacobs *, D. Diamond*, R. Brown *, Y. Ibrahim *, D. Orton *, P. Piehowski *
MeSH headings : Chromatography, Liquid; Humans; Ions / chemistry; Liver Cirrhosis / blood; Liver Cirrhosis / complications; Liver Cirrhosis / metabolism; Liver Transplantation; Mass Spectrometry; Proteome / metabolism; Proteomics / instrumentation; Proteomics / methods
TL;DR:
This work reports on the use of a new instrumental platform that addresses challenges of rapid gas phase multiplexed ion mobility spectrometry separations with liquid chromatography and MS to dramatically increase measurement sensitivity and throughput, further enabling future high throughput MS-based clinical applications.
(via Semantic Scholar)
Source: ORCID
Added: December 5, 2019
2014 journal article
Detecting and Removing Data Artifacts in Hadamard Transform Ion Mobility-Mass Spectrometry Measurements
The Journal of the American Society for Mass Spectrometry, 25(12), 2020–2027.
Contributors: S. Prost *, K. Crowell*, * , Y. Ibrahim *, B. Clowers *, M. Monroe *, G. Anderson*, R. Smith *, S. Payne *
author keywords: Ion mobility; Computational proteomics; Hadamard transform; Bioinformatics; Sensitivity; Data analysis
MeSH headings : Algorithms; Artifacts; Fourier Analysis; Mass Spectrometry / methods; Proteomics
TL;DR:
Following application of the algorithm, IMS-MS measurement sensitivity is greatly increased and artifacts that previously limited the utility of applying the Hadamard transform to IMS are avoided.
(via Semantic Scholar)
UN Sustainable Development Goal Categories
7. Affordable and Clean Energy
(OpenAlex)
Sources: ORCID, Web Of Science, NC State University Libraries
Added: December 5, 2019
2014 journal article
Development of a new ion mobility (quadrupole) time-of-flight mass spectrometer
International Journal of Mass Spectrometry, 377(1), 655–662.
Contributors: Y. Ibrahim *, * , W. Danielson*, R. Norheim*, D. Prior*, G. Anderson*, M. Belov *, R. Smith *
UN Sustainable Development Goal Categories
7. Affordable and Clean Energy
(OpenAlex)
Source: ORCID
Added: December 5, 2019
2014 article
Focus on Advancing High Performance Mass Spectrometry, Honoring Dr. Richard D. Smith, Recipient of the 2013 Award for a Distinguished Contribution in Mass Spectrometry
Baker, E. S., Muddiman, D. C., & Loo, J. A. (2014, December). JOURNAL OF THE AMERICAN SOCIETY FOR MASS SPECTROMETRY, Vol. 25, pp. 1997–1999.
Contributors: * , D. Muddiman n & J. Loo *
TL;DR:
This special focus issue of the Journal of the American Society for Mass spectrometry celebrates the accomplishments of Dr. Richard D. Smith, the recipient of the 2013ASMS Award for a Distinguished Contribution in Mass Spectrometry.
(via Semantic Scholar)
Sources: ORCID, Web Of Science, NC State University Libraries
Added: August 6, 2018
2014 journal article
Improving Ion Mobility Measurement Sensitivity by Utilizing Helium in an Ion Funnel Trap
Analytical Chemistry, 86(11), 5295–5299.
Contributors: Y. Ibrahim *, S. Garimella *, A. Tolmachev*, * & R. Smith *
MeSH headings : Algorithms; Buffers; Helium / analysis; Ions / chemistry; Mass Spectrometry; Nitrogen / chemistry; Protein Hydrolysates / chemistry; Serum Albumin, Bovine / chemistry
TL;DR:
Signal intensities for higher m/z species were improved and the effect of helium upon IMS resolving power was studied by introducing a He/N2 gas mixture into the drift cell, and in some cases, a slight improvement was observed.
(via Semantic Scholar)
UN Sustainable Development Goal Categories
7. Affordable and Clean Energy
(OpenAlex)
Source: ORCID
Added: December 5, 2019
2013 journal article
Combining heavy isotope labeling, chemical cross-linking, ion mobility spectrometry, and mass spectrometry to study the structure of homomultimeric protein complexes
Abstracts of Papers of the American Chemical Society, 246. http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcAuth=ORCID&SrcApp=OrcidOrg&DestLinkType=FullRecord&DestApp=WOS_CPL&KeyUT=WOS:000329618401034&KeyUID=WOS:000329618401034
Source: ORCID
Added: December 5, 2019
2013 journal article
Increasing confidence of LC-MS identifications by utilizing ion mobility spectrometry
International Journal of Mass Spectrometry, 354, 312–317.
Contributors: K. Crowell*, * , S. Payne *, Y. Ibrahim *, M. Monroe *, G. Slysz *, B. LaMarche*, V. Petyuk *
author keywords: Ion mobility spectrometry; Mass spectrometry; Peptide identification; LC-MS; LC-IMS-MS; AMT tag; False discovery rate; Drift time
TL;DR:
It is demonstrated that the use of three dimensions for peak matching during the peptide identification process resulted in an increased numbers of identifications and a lower false discovery rate relative to only using the mass and normalized elution time dimensions.
(via Semantic Scholar)
Source: ORCID
Added: December 5, 2019
2013 journal article
LC-IMS-MS Feature Finder: detecting multidimensional liquid chromatography, ion mobility and mass spectrometry features in complex datasets
Bioinformatics, 29(21), 2804–2805.
Contributors: K. Crowell*, G. Slysz *, * , B. LaMarche*, M. Monroe *, Y. Ibrahim *, S. Payne *, G. Anderson*, R. Smith *
MeSH headings : Algorithms; Chromatography, Liquid / methods; Cluster Analysis; Ions; Mass Spectrometry / methods; Software; Spectrum Analysis / methods
TL;DR:
A command line software application LC-IMS-MS Feature Finder is introduced that searches for molecular ion signatures in multidimensional liquid chromatography-ion mobility spectrometry-massSpectrometry (LC-IMs-MS) data by clustering deisotoped peaks with similar monoisotopic mass, charge state, LC elution time and ion mobility drift time values.
(via Semantic Scholar)
Source: ORCID
Added: December 5, 2019
2013 journal article
Mixed-Isotope Labeling with LC-IMS-MS for Characterization of Protein-Protein Interactions by Chemical Cross-Linking
Journal of the American Society For Mass Spectrometry, 24(3), 444–449.
Contributors: E. Merkley *, * , K. Crowell*, D. Orton *, T. Taverner, C. Ansong *, Y. Ibrahim *, M. Burnet*
author keywords: Cross-linking; Proteins; Cross-linked peptides; Ionmobility spectrometry; Mass Spectrometry; Liquid chromatography; Drift time; Protein structure; Heavy isotope labeling
MeSH headings : Amino Acid Sequence; Bacterial Proteins / chemistry; Bacterial Proteins / metabolism; Chromatography, Liquid / methods; Cross-Linking Reagents / chemistry; Isotope Labeling / methods; Models, Molecular; Molecular Sequence Data; Peptides / analysis; Peptides / metabolism; Protein Conformation; Protein Interaction Mapping / methods; Proteins / chemistry; Proteins / metabolism; Recombinant Proteins / chemistry; Recombinant Proteins / metabolism; Sequence Analysis, Protein / methods; Shewanella / chemistry; Shewanella / metabolism; Tandem Mass Spectrometry / methods
TL;DR:
An informatics tool was developed to use the amino acid sequence information inherent in the multiplet spacing for accurate identification of the cross-linked peptides and was able to confidently detect more intermolecular cross- linked peptides than LC-MS alone.
(via Semantic Scholar)
Source: ORCID
Added: December 5, 2019
2013 journal article
Redox states of Desulfovibrio vulgaris DsrC, a key protein in dissimilatory sulfite reduction
Biochemical and Biophysical Research Communications, 441(4), 732–736.
Contributors: S. Venceslau *, J. Cort *, * , R. Chu *, E. Robinson *, C. Dahl *, L. Saraiva *, I. Pereira *
author keywords: Dissimilatory sulfite reductase; Desulfovibrio; DsrC; MalPEG; Gel-shift assay
MeSH headings : Bacterial Proteins / chemistry; Bacterial Proteins / metabolism; Desulfovibrio vulgaris / enzymology; Oxidation-Reduction; Sulfite Reductase (NADPH) / chemistry; Sulfite Reductase (NADPH) / metabolism; Sulfites / metabolism
TL;DR:
A study of the distribution of DsrC in cell extracts is reported to show that, in the model sulfate reducer Desulfovibrio vulgaris, the majority of DSRC is not associated with DsrAB and is thus free to interact with other proteins.
(via Semantic Scholar)
Source: ORCID
Added: December 5, 2019
2012 journal article
Evaluation of SDS Depletion Using an Affinity Spin Column and IMS-MS Detection
Proteomics, 12(21), 3138–3142.
Contributors: S. Hengel *, E. Floyd*, * , R. Zhao *, S. Wu * & L. Pasa-Tolic *
author keywords: Detergents; Ion mobility; Sample preparation; SDS depletion; Technology
MeSH headings : Bacterial Proteins / chemistry; Models, Chemical; Peptide Fragments / analysis; Peptide Fragments / chemistry; Peptide Fragments / isolation & purification; Proteomics / methods; Shewanella / chemistry; Sodium Dodecyl Sulfate / analysis; Sodium Dodecyl Sulfate / chemistry; Sodium Dodecyl Sulfate / isolation & purification; Tandem Mass Spectrometry / methods; Ubiquitin / chemistry
TL;DR:
The results suggest that optimal conditions for SDS removal are dependent on the sample concentration, and provides a useful guide for proteomic studies where SDS is required for efficient sample preparation.
(via Semantic Scholar)
Sources: ORCID, Web Of Science, NC State University Libraries
Added: December 5, 2019
2012 journal article
Mass spectrometry for translational proteomics: progress and clinical implications
Genome Medicine, 4(8).
Contributors: * , T. Liu *, V. Petyuk *, K. Burnum-Johnson *, Y. Ibrahim *, G. Anderson*, R. Smith *
author keywords: biomarker; clinical proteomics; ion mobility separations; mass spectrometry; multiple reaction monitoring; selected reaction monitoring; shotgun proteomics; targeted proteomics; translational proteomics
TL;DR:
The current state of MS-based proteomics is reviewed with regard to its advantages and current limitations, and its translational applications in studies of protein biomarkers are highlighted.
(via Semantic Scholar)
Source: ORCID
Added: December 5, 2019
2012 journal article
Mass spectrometry-based proteomics: existing capabilities and future directions
Chemical Society Reviews, 41(10), 3912–3928.
Contributors: T. Angel *, U. Aryal *, S. Hengel *, * , R. Kelly *, E. Robinson *, R. Smith *
MeSH headings : Animals; Chromatography, Liquid / methods; Humans; Mass Spectrometry / methods; Protein Processing, Post-Translational; Proteome / analysis; Proteome / metabolism; Proteomics / methods
TL;DR:
MS-based proteomics increasingly contribute to the authors' understanding of the dynamics, interactions, and roles that proteins and peptides play, advancing the understanding of biology on a systems wide level for a wide range of applications including investigations of microbial communities, bioremediation, and human health.
(via Semantic Scholar)
Source: ORCID
Added: December 5, 2019
2012 journal article
Uterine Deletion of Trp53 Compromises Antioxidant Responses in the Mouse Decidua
Endocrinology, 153(9), 4568–4579.
Contributors: K. Burnum *, Y. Hirota *, * , M. Yoshie *, Y. Ibrahim *, M. Monroe *, G. Anderson*, R. Smith *, T. Daikoku *, S. Dey *
MeSH headings : Animals; Antioxidants / metabolism; Decidua / metabolism; Female; Mice; Oxidative Stress / genetics; Premature Birth / genetics; Premature Birth / metabolism; Tumor Suppressor Protein p53 / deficiency; Tumor Suppressor Protein p53 / genetics; Uterus / metabolism
TL;DR:
Functional categorization of 183 candidate proteins unveiled new pathways that are influenced by p53, and down-regulation of a cluster of antioxidant enzymes in p53-deficient deciduae suggests that increased oxidative stress could be one cause of preterm birth in mice harboring uterine deletion of Trp53.
(via Semantic Scholar)
UN Sustainable Development Goal Categories
3. Good Health and Well-being
(OpenAlex)
Source: ORCID
Added: December 5, 2019
2011 chapter
New Developments in LC-MS and Other Hyphenated Techniques
In Sample Preparation in Biological Mass Spectrometry (pp. 981–1030).
author keywords: Reversed-phase HPLC; Strong cation exchange; Capillary zone electrophoresis; Ion mobility spectrometry; High-field asymmetric waveform ion mobility spectrometry
Sources: Crossref, NC State University Libraries
Added: December 16, 2019
2010 journal article
A multi-pronged search for a common structural motif in the secretion signal of Salmonella enterica serovar Typhimurium type III effector proteins
Molecular Biosystems, 6(12), 2448–2458.
Contributors: G. Buchko *, G. Niemann*, * , M. Belov *, R. Smith *, F. Heffron*, J. Adkins *, J. McDermott *
MeSH headings : Adenylate Cyclase Toxin / metabolism; Algorithms; Amino Acid Motifs; Amino Acid Sequence; Amino Acids / metabolism; Bacterial Proteins / chemistry; Bacterial Proteins / metabolism; Biological Assay; Circular Dichroism; Computational Biology / methods; Cyclic AMP / metabolism; Magnetic Resonance Spectroscopy; Mass Spectrometry; Molecular Sequence Data; Peptides / chemistry; Propanols / chemistry; Protein Sorting Signals; Protein Structure, Secondary; Salmonella enterica / metabolism; Trifluoroethanol / chemistry
TL;DR:
Intrinsic disorder may be a universal feature of effector secretion signals as similar conclusions were reached following structural characterization of peptides corresponding to the N-terminal regions of the S. Typhimurium effectors SptP, SopD, GtgE, and the Yersinia pestis effector YopH.
(via Semantic Scholar)
Source: ORCID
Added: December 5, 2019
2010 journal article
Characterization of an ion mobility-multiplexed collision-induced dissociation-tandem time-of-flight mass spectrometry approach
International Journal of Mass Spectrometry, 293(1-3), 34–44.
Contributors: Y. Ibrahim *, D. Prior*, * , R. Smith * & M. Belov *
author keywords: Ion mobility spectrometry; Multiplexed CID; Time-of-flight; Peptide identification; False discovery rate
TL;DR:
An approach for collision-induced dissociation (CID) using IMS-TOFMS instrument is developed and an algorithm for deconvoluting these complex multiplexed tandem MS spectra is developed by clustering both the precursor and fragment ions into matching drift time profiles and by utilizing the high mass measurement accuracy achievable with TOFMS.
(via Semantic Scholar)
Source: ORCID
Added: December 5, 2019
2010 journal article
Ion mobility separations in high throughput proteomics: A novel approach to protein detection and quantitation
Abstracts of Papers of the American Chemical Society, 240. http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcAuth=ORCID&SrcApp=OrcidOrg&DestLinkType=FullRecord&DestApp=WOS_CPL&KeyUT=WOS:000208164705803&KeyUID=WOS:000208164705803
Source: ORCID
Added: December 5, 2019
2010 journal article
Machine learning based prediction for peptide drift times in ion mobility spectrometry
Bioinformatics, 26(13), 1601–1607.
Contributors: A. Shah*, K. Agarwal *, * , M. Singhal*, A. Mayampurath *, Y. Ibrahim *, L. Kangas*, M. Monroe *
MeSH headings : Artificial Intelligence; Computational Biology / methods; Ions; Mass Spectrometry; Peptides / analysis; Proteomics / methods; Software; Spectrum Analysis
TL;DR:
A model that uses physicochemical properties of peptides to accurately predict a peptide's drift time directly from its amino acid sequence is presented, used in conjunction with two mathematical techniques, a partial least squares regression and a support vector regression setting.
(via Semantic Scholar)
Source: ORCID
Added: December 5, 2019
2009 journal article
Aminoglycoside antibiotics: A-site specific binding to 16S
International Journal of Mass Spectrometry, 283(1-3), 105–111.
Contributors: * , N. Dupuis* & M. Bowers *
author keywords: Ion mobility; 16S; Mass spectrometry
TL;DR:
ESI-MS, ion mobility and molecular dynamics methods were utilized in this study to analyze the A-site of 16S27 before and after the addition of ribostamycin, paromomycin and lividomycin, and found 16S 27 in a hairpin conformation while (16S27)2 existed as a cruciform.
(via Semantic Scholar)
Source: ORCID
Added: December 5, 2019
2009 journal article
An LC-IMS-MS Platform Providing Increased Dynamic Range for High-Throughput Proteomic Studies
Journal of Proteome Research, 9(2), 997–1006.
Contributors: * , E. Livesay*, D. Orton *, R. Moore *, W. Danielson*, D. Prior*, Y. Ibrahim *, B. LaMarche*
author keywords: Ion mobility spectrometry; IMS-MS; LC-IMS-MS; high-throughput RPLC
MeSH headings : Animals; Blood Proteins / chemistry; Chromatography, Liquid / methods; Fourier Analysis; Mice; Peptide Mapping; Proteomics; Tandem Mass Spectrometry / methods
TL;DR:
The LC-IMS-TOF MS system enabled drift time separation of the low concentration spiked peptides from the high concentration mouse peptide matrix components, reducing signal interference and background, and allowing species to be resolved that would otherwise be obscured by other components.
(via Semantic Scholar)
Source: ORCID
Added: December 5, 2019
2009 journal article
Biases in Ion Transmission Through an Electrospray Ionization-Mass Spectrometry Capillary Inlet
Journal of the American Society For Mass Spectrometry, 20(12), 2265–2272.
Contributors: J. Page *, I. Marginean *, * , R. Kelly *, K. Tang * & R. Smith *
MeSH headings : Artifacts; Electrophoresis, Capillary / instrumentation; Electrophoresis, Capillary / methods; Equipment Design; Equipment Failure Analysis; Reproducibility of Results; Sensitivity and Specificity; Spectrometry, Mass, Electrospray Ionization / instrumentation; Spectrometry, Mass, Electrospray Ionization / methods
Source: ORCID
Added: December 5, 2019
2009 journal article
DNA Hairpin, Pseudoknot, and Cruciform Stability in a Solvent-Free Environment
Journal of Physical Chemistry B, 113(6), 1722–1727.
Contributors: * , N. Dupuis* & M. Bowers *
MeSH headings : Computer Simulation; DNA / chemistry; Models, Chemical; Nucleic Acid Conformation; Solvents; Spectrometry, Mass, Electrospray Ionization
TL;DR:
To determine the stability of these structures, DNA sequences capable of forming each were analyzed with mass spectrometry, ion mobility, and molecular dynamics calculations and indicated that stoichiometries compatible with hairpin, pseudoknot, and cruciform structures were present.
(via Semantic Scholar)
Source: ORCID
Added: December 5, 2019
2008 journal article
G-quadruplex DNA assemblies: Loop length, cation identity, and multimer formation
Journal of the American Chemical Society, 130(31), 10208–10216.
Contributors: N. Smargiasso *, F. Rosu *, W. Hsia*, P. Colson *, * , M. Bowers *, E. De Pauw *, V. Gabelica *
MeSH headings : Base Sequence; Cations; Dimerization; G-Quadruplexes; Nucleic Acid Conformation; Oligodeoxyribonucleotides / chemistry
TL;DR:
It is found that sequences with short loops form very stable multimeric quadruplexes, even at low strand concentration, and the nature of the cation also has an influence on the adopted structures.
(via Semantic Scholar)
Source: ORCID
Added: December 5, 2019
2007 journal article
B-DNA helix stability in a solvent-free environment
Journal of the American Society For Mass Spectrometry, 18(7), 1188–1195.
Contributors: * & M. Bowers *
MeSH headings : Computer Simulation; DNA / chemistry; DNA / ultrastructure; Drug Stability; Models, Chemical; Models, Molecular; Nucleic Acid Conformation; Nucleic Acid Denaturation; Solvents / chemistry; Spectrometry, Mass, Electrospray Ionization / methods
TL;DR:
The observed solvent-free structures illustrate that smaller helices with fewer base pairs convert to A-DNA more easily than larger helices in the absence of solvent.
(via Semantic Scholar)
UN Sustainable Development Goal Categories
6. Clean Water and Sanitation
(OpenAlex)
Source: ORCID
Added: December 5, 2019
2007 journal article
High-resolution separations and improved ion production and transmission in metabolomics
Trac-Trends in Analytical Chemistry, 27(3), 205–214.
author keywords: electrospray ionization; ion mobility spectroscopy; liquid chromatography; mass spectrometry; metabolomics
TL;DR:
The role of high resolution liquid chromatography separations in conjunction with improved ion production and transmission for LC-MS-based metabolomics will be focused on, with additional emphasis on the compromise between metabolome coverage and sample analysis throughput.
(via Semantic Scholar)
Source: ORCID
Added: December 5, 2019
2007 journal article
Ion mobility spectrometry-mass spectrometry performance using electrodynamic ion funnels and elevated drift gas pressures
Journal of the American Society For Mass Spectrometry, 18(7), 1176–1187.
Contributors: * , B. Clowers *, F. Li *, K. Tang *, A. Tolmachev*, D. Prior*, M. Belov *, R. Smith *
MeSH headings : Biopolymers / analysis; Biopolymers / chemistry; Equipment Design; Equipment Failure Analysis; Gases / analysis; Gases / chemistry; Ions; Pressure; Reproducibility of Results; Sensitivity and Specificity; Spectrometry, Mass, Electrospray Ionization / instrumentation; Spectrometry, Mass, Electrospray Ionization / methods
TL;DR:
A higher resolution ESI-IMS-TOF MS is developed by utilizing high-pressure electrodynamic ion funnels at both ends of the IMS drift cell and operating the drift cell at an elevated pressure compared with that conventionally used.
(via Semantic Scholar)
UN Sustainable Development Goal Categories
7. Affordable and Clean Energy
(OpenAlex)
Source: ORCID
Added: December 5, 2019
2007 journal article
Optimization of algorithms for ion mobility calculations
Journal of Physical Chemistry a, 111(10), 2002–2010.
Contributors: A. Shvartsburg *, S. Mashkevich *, * & R. Smith *
MeSH headings : Algorithms; Ions / chemistry; Models, Chemical
TL;DR:
Two new algorithms for PA and EHSS calculations are developed: one simplifies those operations and greatly reduces their number, and the other disposes of them altogether by propagating trajectories from a random origin.
(via Semantic Scholar)
Source: ORCID
Added: December 5, 2019
2007 journal article
Simultaneous fragmentation of multiple ions using IMS drift time dependent collision energies
Journal of the American Society For Mass Spectrometry, 19(3), 411–419.
Contributors: * , K. Tang *, W. Danielson*, D. Prior* & R. Smith *
MeSH headings : Angiotensin I / chemistry; Bradykinin / chemistry; Electricity; Fibrinopeptide A / chemistry; Ions / chemistry; Neurotensin / chemistry; Peptides / chemistry; Serum Albumin, Bovine / chemistry; Spectrometry, Mass, Electrospray Ionization / instrumentation; Spectrometry, Mass, Electrospray Ionization / methods; Spectrum Analysis / methods; Trypsin / chemistry
TL;DR:
In conclusion, ion collision energy ramping technique that simultaneously fragments a variety of species and fragmentation efficiencies were found to be similar for different ions when the fragmentation voltage was linearly ramped with drift time, but varied drastically when only a single voltage was used.
(via Semantic Scholar)
Source: ORCID
Added: December 5, 2019
2007 journal article
Stabilization and structure of telomeric and c-myc region intramolecular G-quadruplexes: The role of central cations and small planar ligands
Journal of the American Chemical Society, 129(4), 895–904.
Contributors: V. Gabelica *, * , M. Teulade-Fichou *, E. De Pauw * & M. Bowers *
MeSH headings : Base Sequence; Cations / chemistry; DNA / chemistry; G-Quadruplexes; Genes, myc; Guanidine / chemistry; Ligands; Models, Molecular; Nucleic Acid Conformation; Quaternary Ammonium Compounds / chemistry; Solvents / chemistry; Spectrometry, Mass, Electrospray Ionization; Telomere / chemistry
TL;DR:
The authors' results demonstrate that G-quadruplex intramolecular folds are stabilized by NH4+ cations and the ligands listed, and end stacking is shown to be the dominant mode for ligand attachment.
(via Semantic Scholar)
Source: ORCID
Added: December 5, 2019
2006 journal article
ANYL 227-Exploring the conformational diversity of proteins and peptides using high-resolution FAIMS and IMS
Abstracts of Papers of the American Chemical Society, 232. http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcAuth=ORCID&SrcApp=OrcidOrg&DestLinkType=FullRecord&DestApp=WOS_CPL&KeyUT=WOS:000207781601223&KeyUID=WOS:000207781601223
Source: ORCID
Added: December 5, 2019
2006 journal article
Cyclo[n]pyrroles: Size and site-specific binding to G-quadruplexes
Journal of the American Chemical Society, 128(8), 2641–2648.
Contributors: * , J. Lee*, J. Sessler * & M. Bowers *
MeSH headings : Binding Sites; DNA / chemistry; DNA / metabolism; Enzyme Inhibitors / chemistry; Enzyme Inhibitors / pharmacology; G-Quadruplexes; Guanine / chemistry; Guanine / metabolism; Models, Molecular; Nucleic Acid Conformation; Porphyrins / chemistry; Pyrroles / chemistry; Pyrroles / pharmacology; Spectrometry, Mass, Electrospray Ionization; Substrate Specificity; Telomerase / antagonists & inhibitors; Thermodynamics
TL;DR:
Diprotonated cyclo[n]pyrroles represent a set of expanded porphyrin analogues with structures similar to that of telomestatin, a natural product known to bind to and stabilize G-quadruplexes, and it is inferred that external stacking represents the dominant binding mode for the interaction of cyclo(n)pyrrole with d(T(2)AG(3))(4).
(via Semantic Scholar)
Source: ORCID
Added: December 5, 2019
2006 journal article
G-quadruplexes in telomeric repeats are conserved in a solvent-free environment
International Journal of Mass Spectrometry, 253(3), 225–237.
Contributors: * , S. Bernstein*, V. Gabelica *, E. De Pauw * & M. Bowers *
author keywords: ion mobility; G-quadruplexes; DNA
TL;DR:
To determine if G-quadruplexes are present in a solvent-free environment, different lengths of the telomeric repeat d(T2AG3)n and dTG4T were investigated with mass spectrometry, ion mobility and molecular dynamics calculations.
(via Semantic Scholar)
Source: ORCID
Added: December 5, 2019
2006 journal article
Non-covalent complexes of biological interest: Nucleotide-drug interactions and peptide/protein self assembly
Abstracts of Papers of the American Chemical Society, 231. http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcAuth=ORCID&SrcApp=OrcidOrg&DestLinkType=FullRecord&DestApp=WOS_CPL&KeyUT=WOS:000238125900429&KeyUID=WOS:000238125900429
Source: ORCID
Added: December 5, 2019
2006 journal article
PNA/dsDNA complexes: Site specific binding and dsDNA biosensor applications
Journal of the American Chemical Society, 128(26), 8484–8492.
Contributors: * , J. Hong*, B. Gaylord*, G. Bazan * & M. Bowers *
MeSH headings : Biosensing Techniques / methods; DNA / chemistry; DNA Probes / chemistry; Electrophoresis, Polyacrylamide Gel; Fluorescence Resonance Energy Transfer; Mass Spectrometry / methods; Molecular Structure; Peptide Nucleic Acids / chemistry; Sensitivity and Specificity
TL;DR:
The capability and specificity of binding indicates that the CCP/PNA assay is a feasible detection method for dsDNA and eliminates the need for thermal denaturing steps typically required for DNA hybridization probe assays.
(via Semantic Scholar)
UN Sustainable Development Goal Categories
7. Affordable and Clean Energy
(OpenAlex)
Source: ORCID
Added: December 5, 2019
2005 journal article
Probing shapes of bichromophoric metal-organic complexes using ion mobility mass spectrometry
Journal of the American Chemical Society, 127(51), 18222–18228.
Contributors: * , J. Bushnell*, . Wecksler*, M. Lim *, M. Manard *, N. Dupuis*, P. Ford *, M. Bowers *
TL;DR:
DFT structures, in good agreement with the IM-MS cross sections, indicate two "bent" conformations with the planes of the porphyrin and Fe2S2 rings at different angles with respect to each other.
(via Semantic Scholar)
Source: ORCID
Added: December 5, 2019
2005 journal article
Structural analysis of metal interactions with the dinucleotide duplex, dCG center dot dCG, using ion mobility mass spectrometry
Journal of Physical Chemistry B, 109(11), 4808–4810.
Contributors: * , M. Manard *, J. Gidden* & M. Bowers *
MeSH headings : Mass Spectrometry / methods; Metals / chemistry; Nucleotides / chemistry
TL;DR:
The metal binding properties of the dinucleotide duplex, dCG x dCG, were analyzed in the gas phase with ion mobility mass spectrometry and a structure was observed where the two C-G base pairs were Watson-Crick bound.
(via Semantic Scholar)
Source: ORCID
Added: December 5, 2019
2005 journal article
Structural characterization of G-quadruplexes in deoxyguanosine clusters using ion mobility mass spectrometry
Journal of the American Society For Mass Spectrometry, 16(7), 989–997.
Contributors: * , S. Bernstein* & M. Bowers *
MeSH headings : Deoxyguanosine / chemistry; Molecular Structure; Nanotechnology; Spectrometry, Mass, Electrospray Ionization / methods
TL;DR:
The aggregation and conformation of deoxyguanosine in an ammonium acetate buffer solution were examined and results provide compelling evidence that quadruplexes are present in solution and retain their structure during the spray process, dehydration, and detection.
(via Semantic Scholar)
Source: ORCID
Added: December 5, 2019
2005 journal article
Structure of hybrid polyhedral oligomeric silsesquioxane propyl methacrylate oligomers using ion mobility mass spectrometry and molecular mechanics
Chemistry of Materials, 17(10), 2537–2545.
Contributors: S. Anderson*, * , C. Mitchell*, T. Haddad* & M. Bowers *
UN Sustainable Development Goal Categories
7. Affordable and Clean Energy
(OpenAlex)
Source: ORCID
Added: December 5, 2019
2004 journal article
Diastereomer assignment of an olefin-linked bis-paracyclophane by ion mobility mass spectrometry
Journal of the American Chemical Society, 126(20), 6255–6257.
Contributors: * , J. Hong*, J. Gidden*, G. Bartholomew*, G. Bazan * & M. Bowers *
TL;DR:
To assign meso and racemic structures, a novel method is reported in which experimental gas-phase ion mobility data are compared with theoretical structures obtained from molecular mechanics calculations.
(via Semantic Scholar)
Source: ORCID
Added: December 5, 2019
2004 journal article
Duplex formation and the onset of helicity in oligonucleotides.
Abstracts of Papers of the American Chemical Society, 227, U258. http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcAuth=ORCID&SrcApp=OrcidOrg&DestLinkType=FullRecord&DestApp=WOS_CPL&KeyUT=WOS:000223655701333&KeyUID=WOS:000223655701333
Source: ORCID
Added: December 5, 2019
2004 journal article
Duplex formation and the onset of helicity in poly d(CG)(n) oligonucleotides in a solvent-free environment
Journal of the American Chemical Society, 126(46), 15132–15140.
Contributors: J. Gidden*, A. Ferzoco*, * & M. Bowers *
MeSH headings : Circular Dichroism; Cytosine / analogs & derivatives; Cytosine / chemistry; DNA / chemistry; Guanine / analogs & derivatives; Guanine / chemistry; Models, Molecular; Nucleic Acid Conformation; Oligonucleotides / chemical synthesis; Oligonucleotides / chemistry; Poly C / chemical synthesis; Poly C / chemistry; Poly G / chemical synthesis; Poly G / chemistry; Spectrometry, Mass, Electrospray Ionization; Structure-Activity Relationship
TL;DR:
Molecular dynamics simulations at 300 K indicate the helical structures are stable in aqueous solution and will retain their conformations for a limited time in the gas phase of cytosine/guanine DNA duplexes.
(via Semantic Scholar)
Source: ORCID
Added: December 5, 2019
2004 journal article
Isomeric structural characterization of polyhedral oligomeric silsesquioxanes (POSS) with styryl and epoxy phenyl capping agents
Nano Letters, 4(5), 779–785.
Contributors: * , J. Gidden*, S. Anderson*, T. Haddad* & M. Bowers *
Source: ORCID
Added: December 5, 2019
2004 journal article
Microstructural and Conformational Studies of Polyether Copolymers
The International Journal of Mass Spectrometry, 238(3), 287–297.
Contributors: A. Jackson*, J. Scrivens *, J. Williams *, * , J. Gidden* & M. Bowers *
author keywords: oligomer; ion mobility; ESI-MS/MS
Sources: ORCID, Web Of Science, NC State University Libraries
Added: December 5, 2019
2004 journal article
Sequence Dependent Conformations of Glycidyl Methacrylate/Butyl Methacrylate Copolymers in the Gas Phase
The International Journal of Mass Spectrometry, 238(3), 279–286.
Contributors: * , J. Gidden*, W. Simonsick*, M. Grady* & M. Bowers *
author keywords: glycidyl methacrylate/butyl methacrylate; gas phase; MALDI; ion mobility
Sources: ORCID, Web Of Science, NC State University Libraries
Added: December 5, 2019
2004 journal article
Sodium stabilization of dinucleotide multiplexes in the gas phase
Physical Chemistry Chemical Physics, 6(10), 2786–2795.
Contributors: * , J. Gidden*, A. Ferzoco* & M. Bowers *
Source: ORCID
Added: December 5, 2019
2004 journal article
Structural motifs of DNA complexes in the gas phase
International Journal of Mass Spectrometry, 240(3), 183–193.
Contributors: J. Gidden*, * , A. Ferzoco* & M. Bowers *
author keywords: ion mobility; DNA; helix; conformations
Source: ORCID
Added: December 5, 2019
2004 chapter
The ion mobility mass spectrometry method and its application to duplex formation of oligonucleotides and aggregation of proteins
In Advances in Mass Spectrometry, Vol 16 (Vol. 16, pp. 189–200). http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcAuth=ORCID&SrcApp=OrcidOrg&DestLinkType=FullRecord&DestApp=WOS_CPL&KeyUT=WOS:000226631200011&KeyUID=WOS:000226631200011
Source: ORCID
Added: December 5, 2019
2003 journal article
3-dimensional structural characterization of cationized polyhedral oligomeric silsesquioxanes (POSS) with styryl and phenylethyl capping agents
International Journal of Mass Spectrometry, 227(1), 205–216.
Contributors: * , J. Gidden*, D. Fee*, P. Kemper*, S. Anderson* & M. Bowers *
UN Sustainable Development Goal Categories
7. Affordable and Clean Energy
(OpenAlex)
Source: ORCID
Added: December 5, 2019
2002 journal article
Application of ion mobility to the gas-phase conformational analysis of polyhedral oligomeric silsesquioxanes (POSS)
International Journal of Mass Spectrometry, 222(1-3), 63–73.
Contributors: J. Gidden*, P. Kemper*, E. Shammel*, D. Fee*, S. Anderson* & M. Bowers *
author keywords: POSS; ion mobility; gas-phase conformational analysis
Source: ORCID
Added: December 5, 2019
Employment
Updated: October 21st, 2022 14:56
2022 - present
University of North Carolina at Chapel Hill Chapel Hill, NC, US
Associate Professor
Chemistry
2018 - 2022
NC State University Raleigh, North Carolina, US
Associate Professor
Chemistry
2006 - 2018
Pacific Northwest National Laboratory Richland, WA, US
Senior Research Scientist
Biological Sciences Division
Education
Updated: July 18th, 2016 12:17
2001 - 2005
University of California Santa Barbara Santa Barbara, CA, US
Ph.D. in Chemistry
Chemistry
1997 - 2001
Montana State University Bozeman Bozeman, MT, US
B.S. in Chemistry and minor in Mathematics
Chemistry
Citation Index includes data from a number of different sources. If you have questions about the sources of data in the Citation Index or need a set of data which is free to re-distribute, please contact us.
Certain data included herein are derived from the Web of Science© and InCites© (2024) of Clarivate Analytics. All rights reserved. You may not copy or re-distribute this material in whole or in part without the prior written consent of Clarivate Analytics.