Hybrid Search: A Method for Identifying Metabolites Absent from Tandem Mass Spectrometry Libraries DOI
Brian T. Cooper, Xinjian Yan, Yamil Simón‐Manso

et al.

Analytical Chemistry, Journal Year: 2019, Volume and Issue: 91(21), P. 13924 - 13932

Published: Oct. 10, 2019

Metabolomics has a critical need for better tools mass spectral identification. Common metabolites may be identified by searching libraries of tandem spectra, which offers important advantages over other approaches to But are not nearly complete enough represent the full molecular diversity present in complex biological samples. We novel hybrid search method that can help identify library similarity compounds are. call it "hybrid" because combines conventional, direct peak matching with logical equivalent neutral-loss matching. A successful requires contain "cognates" unknown: similar structural difference confined single region molecule, does substantially alter its fragmentation behavior. demonstrate is highly likely find under such circumstances.

Language: Английский

Cadmium and Selenate Exposure Affects the Honey Bee Microbiome and Metabolome, and Bee-Associated Bacteria Show Potential for Bioaccumulation DOI Open Access
Jason A. Rothman,

Laura Leger,

Jay S. Kirkwood

et al.

Applied and Environmental Microbiology, Journal Year: 2019, Volume and Issue: 85(21)

Published: Aug. 29, 2019

Honey bees are important insect pollinators used heavily in agriculture and can be found diverse environments. Bees may encounter toxicants such as cadmium selenate by foraging on plants growing contaminated areas, which result negative health effects. known to have a simple consistent microbiome that conveys many benefits the host, toxicant exposure impact this symbiotic microbial community. We 16S rRNA gene sequencing assay effects sublethal treatments had over 7 days both significantly but subtly altered composition of bee microbiome. Next, we exposed then untargeted liquid chromatography-mass spectrometry (LC-MS) metabolomics show chemical changed bees' metabolite profiles compounds involved detoxification, proteolysis, lipolysis were more abundant treatments. Finally, several strains bee-associated bacteria culture each strain removed from its medium only Lactobacillus Firm-5 microbes assimilated selenate, indicating possibility these reduce metal metalloid burden their host. Overall, our report shows affect honey metabolome bioaccumulate toxicants.IMPORTANCE environmental pollution when upon grown areas. Despite pervasiveness pollution, little is about metabolism microbiomes. Here, investigated gut bees. chemicals overall negatively host microbe. As animals mortality or challenge, grew media spiked with cadmium. some remove vitro suggest hosts.

Language: Английский

Citations

73

Inborn Errors of Metabolism in the Era of Untargeted Metabolomics and Lipidomics DOI Creative Commons

Israa T. Ismail,

Megan R. Showalter, Oliver Fiehn

et al.

Metabolites, Journal Year: 2019, Volume and Issue: 9(10), P. 242 - 242

Published: Oct. 21, 2019

Inborn errors of metabolism (IEMs) are a group inherited diseases with variable incidences. IEMs caused by disrupting enzyme activities in specific metabolic pathways genetic mutations, either directly or indirectly cofactor deficiencies, causing altered levels compounds associated these pathways. While may present multiple overlapping symptoms and metabolites, early accurate diagnosis is critical for the long-term health affected subjects. The prevalence differs between countries, likely because different IEM classifications screening methods used. Currently, newborn programs exclusively use targeted assays that focus on limited panels selected diseases. Such approaches face problem false negative positive diagnoses could be overcome if adopted analyses broader range analytes. Hence, we here review prospects using untargeted metabolomics screening. Untargeted lipidomics do not rely predefined target lists can detect as many metabolites possible sample, allowing to screen simultaneously. Examples given nontargeted IEMs, limitations discussed. We conclude dedicated studies needed compare accuracy robustness respect widening scope diagnostics.

Language: Английский

Citations

73

Real-time health monitoring through urine metabolomics DOI Creative Commons
Ian Miller,

Sean R. Peters,

Katherine A. Overmyer

et al.

npj Digital Medicine, Journal Year: 2019, Volume and Issue: 2(1)

Published: Nov. 11, 2019

Current healthcare practices are reactive and based on limited physiological information collected months or years apart. By enabling patients healthy consumers access to continuous measurements of health, wearable devices digital medicine stand realize highly personalized preventative care. However, most current technologies provide a set traits, such as heart rate step count, which alone offer little insight into the etiology diseases. Here we propose integrate data from biohealth smartphone applications with metabolic phenotypes derived urine metabolites. This combination molecular quantitative lifestyle reflect biological consequences human behavior in real time. We present an observational study involving two subjects discuss challenges, opportunities, implications integrating this new layer medicine. Though our dataset is subjects, analysis (also available through interactive web-based visualization tool) provides initial framework monitor factors, nutrition, drug metabolism, exercise, sleep using

Language: Английский

Citations

66

Toward a Standardized Strategy of Clinical Metabolomics for the Advancement of Precision Medicine DOI Creative Commons
Nguyen Phuoc Long,

Tran Diem Nghi,

Yun Pyo Kang

et al.

Metabolites, Journal Year: 2020, Volume and Issue: 10(2), P. 51 - 51

Published: Jan. 29, 2020

Despite the tremendous success, pitfalls have been observed in every step of a clinical metabolomics workflow, which impedes internal validity study. Furthermore, demand for logistics, instrumentations, and computational resources metabolic phenotyping studies has far exceeded our expectations. In this conceptual review, we will cover inclusive barriers metabolomics-based study suggest potential solutions hope enhancing robustness, usability, transferability. The importance quality assurance control procedures is discussed, followed by practical rule containing five phases, including two additional "pre-pre-" "post-post-" analytical steps. Besides, elucidate involvement machine learning demonstrate that need automated data mining algorithms to improve future research undeniable. Consequently, propose comprehensive framework, along with an appropriate checklist refined from current guidelines previously published assessment, attempt accurately translate achievements into epidemiological research. integration multifaceted multi-omics approaches as pillar member urgent need. When combining other social or nutritional factors, can gather complete omics profiles particular disease. Our discussion reflects obstacles toward progressing trend utilizing create next-generation healthcare system.

Language: Английский

Citations

66

Hybrid Search: A Method for Identifying Metabolites Absent from Tandem Mass Spectrometry Libraries DOI
Brian T. Cooper, Xinjian Yan, Yamil Simón‐Manso

et al.

Analytical Chemistry, Journal Year: 2019, Volume and Issue: 91(21), P. 13924 - 13932

Published: Oct. 10, 2019

Metabolomics has a critical need for better tools mass spectral identification. Common metabolites may be identified by searching libraries of tandem spectra, which offers important advantages over other approaches to But are not nearly complete enough represent the full molecular diversity present in complex biological samples. We novel hybrid search method that can help identify library similarity compounds are. call it "hybrid" because combines conventional, direct peak matching with logical equivalent neutral-loss matching. A successful requires contain "cognates" unknown: similar structural difference confined single region molecule, does substantially alter its fragmentation behavior. demonstrate is highly likely find under such circumstances.

Language: Английский

Citations

61