James N. Dodds
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View article: Reference library for suspect screening of environmental toxicants using ion mobility spectrometry-mass spectrometry
Reference library for suspect screening of environmental toxicants using ion mobility spectrometry-mass spectrometry Open
Due to the potential health risks related to chemical exposure, rapidly assessing xenobiotic molecules in the environment and those already in the body is imperative. Targeted analytical methods coupling either gas or liquid chromatography…
View article: Assessment of Variable Traveling Wave Profiles for Small-Molecule Applications in Ion Mobility Spectrometry-Mass Spectrometry (IMS-MS)
Assessment of Variable Traveling Wave Profiles for Small-Molecule Applications in Ion Mobility Spectrometry-Mass Spectrometry (IMS-MS) Open
The MOBILion MOBIE system is a relatively new platform offering high ion mobility spectrometry (IMS) resolving power and resolution. While these advancements present encouraging opportunities for isomer separations and improved molecular a…
View article: Increasing Oligonucleotide Sequencing Information and Throughput with Ion Mobility Spectrometry–Mass Spectrometry
Increasing Oligonucleotide Sequencing Information and Throughput with Ion Mobility Spectrometry–Mass Spectrometry Open
Synthetic oligonucleotides, such as antisense oligonucleotides or small interfering RNA, are small chain nucleic acid polymers that can be used therapeutically to control gene expression. Watson-Crick base pair interactions provide the pri…
View article: Maternal PFAS Transfer through Lactation: Dolphin Milk Reveals Routes of Early-Life Exposure
Maternal PFAS Transfer through Lactation: Dolphin Milk Reveals Routes of Early-Life Exposure Open
Per- and polyfluoroalkyl substances (PFAS) continue to increase in concentration and prevalence in the environment due to the creation of emerging PFAS and lack of breakdown of legacy compounds. PFAS are known to both bioaccumulate and bio…
View article: Evaluating Ion Mobility Data Acquisition, Calibration, and Processing for Small Molecules: A Cross-Platform Assessment of Drift Tube and Traveling Wave Methodologies
Evaluating Ion Mobility Data Acquisition, Calibration, and Processing for Small Molecules: A Cross-Platform Assessment of Drift Tube and Traveling Wave Methodologies Open
As ion mobility spectrometry (IMS) separations continue to be added to analytical workflows due to their power in environmental and biological sample analyses, harmonization and capability understanding between existing and newly released …
View article: Reference Library for Suspect Non-targeted Screening of Environmental Toxicants Using Ion Mobility Spectrometry-Mass Spectrometry
Reference Library for Suspect Non-targeted Screening of Environmental Toxicants Using Ion Mobility Spectrometry-Mass Spectrometry Open
As our health is affected by the xenobiotic chemicals we are exposed to, it is important to rapidly assess these molecules both in the environment and our bodies. Targeted analytical methods coupling either gas or liquid chromatography wit…
View article: Multidimensional library for the improved identification of per- and polyfluoroalkyl substances (PFAS)
Multidimensional library for the improved identification of per- and polyfluoroalkyl substances (PFAS) Open
As the occurrence of human diseases and conditions increase, questions continue to arise about their linkages to chemical exposure, especially for per-and polyfluoroalkyl substances (PFAS). Currently, many chemicals of concern have limited…
View article: PubChemLite Plus Collision Cross Section (CCS) Values for Enhanced Interpretation of Nontarget Environmental Data
PubChemLite Plus Collision Cross Section (CCS) Values for Enhanced Interpretation of Nontarget Environmental Data Open
Finding relevant chemicals in the vast (known) chemical space is a major challenge for environmental and exposomics studies leveraging nontarget high resolution mass spectrometry (NT-HRMS) methods. Chemical databases now contain hundreds o…
View article: The Salford Nature Environments Database (SNED): an open-access database of standardized high-quality pictures from natural environments
The Salford Nature Environments Database (SNED): an open-access database of standardized high-quality pictures from natural environments Open
View article: PubChemLite plus Collision Cross Section (CCS) values for enhanced interpretation of non-target environmental data
PubChemLite plus Collision Cross Section (CCS) values for enhanced interpretation of non-target environmental data Open
Finding relevant chemicals in the vast (known) chemical space is a major challenge for environmental and exposomics studies leveraging non-target high resolution mass spectrometry (NT-HRMS) methods. Chemical databases now contain hundreds …
View article: Streamlining Phenotype Classification and Highlighting Feature Candidates: A Screening Method for Non-Targeted Ion Mobility Spectrometry-Mass Spectrometry (IMS-MS) Data
Streamlining Phenotype Classification and Highlighting Feature Candidates: A Screening Method for Non-Targeted Ion Mobility Spectrometry-Mass Spectrometry (IMS-MS) Data Open
Nontargeted analysis (NTA) is increasingly utilized for its ability to identify key molecular features beyond known targets in complex samples. NTA is particularly advantageous in exploratory studies aimed at identifying phenotype-associat…
View article: A high-throughput workflow to analyze sequence-conformation relationships and explore hydrophobic patterning in disordered peptoids
A high-throughput workflow to analyze sequence-conformation relationships and explore hydrophobic patterning in disordered peptoids Open
View article: A High-Throughput Workflow to Analyze Sequence-Conformation Relationships and Explore Hydrophobic Patterning in Disordered Peptoids
A High-Throughput Workflow to Analyze Sequence-Conformation Relationships and Explore Hydrophobic Patterning in Disordered Peptoids Open
Understanding how a macromolecule’s primary sequence governs its conformational landscape is crucial for elucidating its function, yet these design principles are still emerging for macromolecules with intrinsic disorder. Herein, we introd…
View article: Assessing Per- and Polyfluoroalkyl Substances in Fish Fillet Using Non-Targeted Analyses
Assessing Per- and Polyfluoroalkyl Substances in Fish Fillet Using Non-Targeted Analyses Open
Per- and polyfluoroalkyl substances (PFAS) are a class of thousands of man-made chemicals that are persistent and highly stable in the environment. Fish consumption has been identified as a key route of PFAS exposure for humans. However, r…
View article: AutonoMS: Automated Ion Mobility Metabolomic Fingerprinting
AutonoMS: Automated Ion Mobility Metabolomic Fingerprinting Open
Automation is dramatically changing the nature of laboratory life science. Robotic lab hardware that can perform manual operations with greater speed, endurance, and reproducibility opens an avenue for faster scientific discovery with less…
View article: Insights into conformational ensembles of compositionally identical disordered peptidomimetics
Insights into conformational ensembles of compositionally identical disordered peptidomimetics Open
A model system of peptidomimetics was developed to characterize the complex conformational ensembles of compositionally identical disordered peptoids using a suite of analyses, including a rapid colorimetric technique.
View article: Uncovering per- and polyfluoroalkyl substances (PFAS) with nontargeted ion mobility spectrometry–mass spectrometry analyses
Uncovering per- and polyfluoroalkyl substances (PFAS) with nontargeted ion mobility spectrometry–mass spectrometry analyses Open
Because of environmental and health concerns, legacy per- and polyfluoroalkyl substances (PFAS) have been voluntarily phased out, and thousands of emerging PFAS introduced as replacements. Traditional analytical methods target a limited nu…
View article: Using Multidimensional Separations to Distinguish Isomeric Amino Acid–Bile Acid Conjugates and Assess Their Presence and Perturbations in Model Systems
Using Multidimensional Separations to Distinguish Isomeric Amino Acid–Bile Acid Conjugates and Assess Their Presence and Perturbations in Model Systems Open
Bile acids play key roles in nutrient uptake, inflammation, signaling, and microbiome composition. While previous bile acid analyses have primarily focused on profiling 5 canonical primary and secondary bile acids and their glycine and tau…
View article: A High-Throughput Workflow to Analyze Sequence-Conformation Relationships and Explore Hydrophobic Patterning in Disordered Peptoids
A High-Throughput Workflow to Analyze Sequence-Conformation Relationships and Explore Hydrophobic Patterning in Disordered Peptoids Open
Understanding how a macromolecule’s primary sequence governs its conformational landscape is crucial for elucidating its function, yet these design principles are still emerging for macromolecules with intrinsic disorder. While parameters …
View article: Assessing Per- and Polyfluoroalkyl Substances (PFAS) in Fish Fillet Using Non-Targeted Analyses
Assessing Per- and Polyfluoroalkyl Substances (PFAS) in Fish Fillet Using Non-Targeted Analyses Open
Per- and polyfluoroalkyl substances (PFAS) are a class of thousands of man-made chemicals that are persistent and highly stable in the environment. Fish consumption has been identified as a key route of PFAS exposure for humans. However, r…
View article: Insights into Conformational Ensembles of Compositionally Identical Disordered Peptidomimetics
Insights into Conformational Ensembles of Compositionally Identical Disordered Peptidomimetics Open
While the conformational ensembles of disordered peptides and peptidomimetics are complex and challenging to characterize, they are a critical component in the paradigm connecting macromolecule sequence, structure, and function. In molecul…
View article: Application of Ion Mobility Spectrometry–Mass Spectrometry for Compositional Characterization and Fingerprinting of a Library of Diverse Crude Oil Samples
Application of Ion Mobility Spectrometry–Mass Spectrometry for Compositional Characterization and Fingerprinting of a Library of Diverse Crude Oil Samples Open
Exposure characterization of crude oils, especially in time-sensitive circumstances such as spills and disasters, is a well-known analytical chemistry challenge. Gas chromatography–mass spectrometry is commonly used for “fingerprinting” an…
View article: Characterizing Adeno-Associated Virus Capsids with both Denaturing and Intact Analysis Methods
Characterizing Adeno-Associated Virus Capsids with both Denaturing and Intact Analysis Methods Open
Adeno-associated virus (AAV) capsids are among the leading gene delivery platforms used to treat a vast array of human diseases and conditions. AAVs exist in a variety of serotypes due to differences in viral protein (VP) sequences, with d…
View article: Temporal chemical composition changes in water below a crude oil slick irradiated with natural sunlight
Temporal chemical composition changes in water below a crude oil slick irradiated with natural sunlight Open
View article: Uncovering PFAS and Other Xenobiotics in the Dark Metabolome Using Ion Mobility Spectrometry, Mass Defect Analysis, and Machine Learning
Uncovering PFAS and Other Xenobiotics in the Dark Metabolome Using Ion Mobility Spectrometry, Mass Defect Analysis, and Machine Learning Open
The identification of xenobiotics in nontargeted metabolomic analyses is a vital step in understanding human exposure. Xenobiotic metabolism, transformation, excretion, and coexistence with other endogenous molecules, however, greatly comp…
View article: High-Resolution Demultiplexing (HRdm) Ion Mobility Spectrometry–Mass Spectrometry for Aspartic and Isoaspartic Acid Determination and Screening
High-Resolution Demultiplexing (HRdm) Ion Mobility Spectrometry–Mass Spectrometry for Aspartic and Isoaspartic Acid Determination and Screening Open
Isomeric peptide analyses are an analytical challenge of great importance to therapeutic monoclonal antibody and other biotherapeutic product development workflows. Aspartic acid (Asp, D) to isoaspartic acid (isoAsp, isoD) isomerization is…
View article: Characterization of compositional variability in petroleum substances
Characterization of compositional variability in petroleum substances Open
View article: Combining Isotopologue Workflows and Simultaneous Multidimensional Separations to Detect, Identify, and Validate Metabolites in Untargeted Analyses
Combining Isotopologue Workflows and Simultaneous Multidimensional Separations to Detect, Identify, and Validate Metabolites in Untargeted Analyses Open
While the combination of liquid chromatography and tandem mass spectrometry (LC-MS/MS) is commonly used for feature annotation in untargeted omics experiments, ensuring these prioritized features originate from endogenous metabolism remain…
View article: Improving the Speed and Selectivity of Newborn Screening Using Ion Mobility Spectrometry–Mass Spectrometry
Improving the Speed and Selectivity of Newborn Screening Using Ion Mobility Spectrometry–Mass Spectrometry Open
Detection and diagnosis of congenital disorders is the principal aim of newborn screening (NBS) programs worldwide. Mass spectrometry (MS) has become the preferred primary testing method for high-throughput NBS sampling because of its spee…
View article: Uncovering Xenobiotics in the Dark Metabolome using Ion Mobility Spectrometry, Mass Defect Analysis and Machine Learning
Uncovering Xenobiotics in the Dark Metabolome using Ion Mobility Spectrometry, Mass Defect Analysis and Machine Learning Open
The identification of xenobiotics in nontargeted metabolomic analyses is a vital step in understanding human exposure. Xenobiotic metabolism, excretion, and co-existence with other endogenous molecules however greatly complicate nontargete…