28 papers · ranked by Valyu relevance
Andrey S. Marchev, Liliya V. Vasileva, Kristiana M. Amirova, Martina S. Savova + 2 more
'Martina S. Savova' 'Zhivka P. Balcheva-Sivenova' 'Milen I. Georgiev'] During the past decade metabolomics has emerged as one of the fastest developing branches of “-omics” technologies. Metabolomics involves documentation, identification, and quantification of metabolites through modern analytical platforms in various…
Eli Riekeberg, Robert Powers
Metabolomics is the newest addition to the “omics” disciplines and has shown rapid growth in its application to human health research because of fundamental advancements in measurement and analysis techniques. Metabolomics has unique and proven advantages in systems biology and biomarker discovery. The next generation…
Florence Anne Castelli, Giulio Rosati, Christian Moguet, Celia Fuentes + 7 more
Metabolomics refers to the large-scale detection, quantification, and analysis of small molecules (metabolites) in biological media. Although metabolomics, alone or combined with other omics data, has already demonstrated its relevance for patient stratification in the frame of research projects and clinical studies…
Howbeer Muhamadali, Catherine L. Winder, Warwick B. Dunn, Royston Goodacre
Metabolomics is a powerful research discovery tool with the potential to measure hundreds to low thousands of metabolites. In this review, we discuss the application of GC-MS and LC-MS in discovery-based metabolomics research, we define metabolomics workflows and we highlight considerations that need to be addressed in…
Ana Margarida Araújo, Félix Carvalho, Paula Guedes de Pinho, Márcia Carvalho + 1 more
Given the high biological impact of classical and emerging toxicants, a sensitive and comprehensive assessment of the hazards and risks of these substances to organisms is urgently needed. In this sense, toxicometabolomics emerged as a new and growing field in life sciences, which use metabolomics to provide new sets…
Christina R. Ferreira, Paulo Clairmont F. de Lima Gomes, Kiley Marie Robison‡, Bruce R. Cooper‡ + 1 more
'Kiley Marie Robison‡' 'Bruce R. Cooper‡' 'Jonathan H. Shannahan'] Omics analyses collectively refer to the possibility of profiling genetic variants, RNA, epigenetic markers, proteins, lipids, and metabolites. The most common analytical approaches used for detecting molecules present within biofluids related to…
Bethany Keen, Adam Cawley, Brian Reedy, Shanlin Fu
Metabolomics is a multidisciplinary field providing workflows for complementary approaches to conventional analytical determinations. It allows for the study of metabolically related groups of compounds or even the study of novel pathways within the biological system. The procedural stages of metabolomics; experimental…
Keiron O’Shea, Divya Kattupalli, Luis AJ Mur, Nigel W Hardy + 2 more
Metabolomics involves the characterisation, identification, and quantification of small molecules (metabolites) that act as the reaction intermediates of biological processes. Over the past few years, we have seen wide scale improvements in data processing, database, and statistical analysis tools. Direct infusion mass…
Fraser Massie, Andrew MacKenzie, Sufyan Pandor, Mauro A. Cremonini + 1 more
Metabolomics is the comprehensive study of small molecules that provides a snapshot of an organism’s physiological state. Reflecting phenotype more closely than genes or proteins, metabolites reveal changes linked to diseases, mutations, genetic interventions, and environmental stimuli. Recent technological…
Matthew Lewis, Elena Chekmeneva, Stephane Camuzeaux, Caroline Sands + 11 more
Metabolomics utilising liquid chromatography mass spectrometry (LC-MS) offers biomedical researchers a powerful means of assessing and comparing human phenotypes via measurement of the metabolome in biological samples. Platforms for LC-MS-based global profiling quantify hundreds or thousands of small molecule…
Priyanka Mahajan, Oliver Fiehn, Dinesh Barupal
Biological interpretation of metabolomic datasets often ends at a pathway analysis step to find the over-represented metabolic pathways in the list of statistically significant metabolites. However, definitions of biochemical pathways and metabolite coverage vary among different curated databases, leading to missed…
Xialin Luo, Aihua Zhang, Xijun Wang, Haitao Lu
Metabolism is characterized by a series of essential life-sustaining processes in all organisms by providing the living cells with necessary nutrients and energy, which enable the cells to grow, differentiate and functioning. Characterizing altered metabolism underlying a diversity of biochemical events and/or…
Andrea Ganna, Tove Fall, Woojoo Lee, Corey D. Broeckling + 7 more
Metabolomic profiling is an emerging technique in life sciences. Human studies using these techniques have been performed in a small number of individuals or have been targeted at a restricted number of metabolites. In this article, we propose a data analysis workflow to perform non-targeted metabolomic profiling in…
Pollen K. Yeung
Metabolomics and biomarkers are increasingly used in drug discovery and development, and are applied to personalized medicine. Progress in these research areas has increased our understanding of disease pathology and improved therapeutic strategies for many diseases with unmet challenges. Further advances will…
Yi‐Ming Li, Yuan Luo
Aging is a multifactorial process and a key factor of morbidity and mortality. Alzheimer's disease (AD) is an age-related disorder and a main cause of worldwide disability. Both aging and AD can be characterized by metabolic dysfunction. Metabolomics can quantify the complete set of metabolites in a studied sample and…
Dinesh Kumar, Atul Rawat, Durgesh Dubey, Umesh Kumar + 3 more
'Amit K. Keshari' 'S. Saha' 'Anupam Guleria'] Traditional Indian (Ayurvedic) and Chinese herbal medicines have been used in the treatment of a variety of diseases for thousands of years because of their natural origin and lesser side effects. However, the safety and efficacy data (including dose and quality parameters)…
Brianna M. Garcia, Goncalo J. Gouveia, Amanda O. Shaver, Ricardo M. Borges + 3 more
Metabolomics commonly uses analytical techniques such as nuclear magnetic resonance (NMR) and liquid chromatography coupled to mass spectrometry (LC-MS) to quantify and identify metabolites associated with biological variation. Metabolome coverage from untargeted LC-MS studies relies heavily on the pre-analytical…
Denise Slenter, M. Kutmon, Chris T. Evelo, Egon L. Willighagen
Metabolomics data analysis for phenotype identification commonly reveals only a small set of biochemical markers, often containing overlapping metabolites for individual phenotypes. Differentiation between distinctive sample groups requires understanding the underlying causes of metabolic changes. However, combining…
Antoni Aguilar‐Mogas, Marta Sales‐Pardo, Míriam Guillén Navarro, Roger Guimerà + 1 more
'Roger Guimerà' 'Óscar Yanes'] Untargeted metabolomic studies are revealing large numbers of naturally occurring metabolites that cannot be characterized because their chemical structures and MS/MS spectra are not available in databases. Here we present iMet, a computational tool based on experimental tandem mass…
Chandana Gopalakrishnappa, Karna Gowda, Kaumudi Prabhakara, Seppe Kuehn
'Seppe Kuehn'] The metabolic activity of microbes has played an essential role in the evolution and persistence of life on Earth. Microbial metabolism plays a primary role in the flow of carbon, nitrogen and other essential resources through the biosphere on a global scale. Microbes perform these metabolic activities…
Mansour Taghavi Azar Sharabiani
Metabonomics [1, 2], the measure of the fingerprint of biochemical perturbations caused by disease, drugs or toxins, recently has become a major focus of research in various areas [3] especially indications of drug toxicity [4-8]. Two types of technology (known by the initials NMR and MS) are employed and both produce…
Yasin El Abiead, Michael Strobel, Thomas Payne, Eoin Fahy + 13 more
Public untargeted metabolomics data is a growing resource for metabolite and phenotype discovery; however, accessing and utilizing these data across repositories pose significant challenges. Therefore, we've developed pan-repository universal identifiers and harmonized cross-repository metadata. This novel ecosystem…
Anne-Charlotte Dubbelman, Bo van Wieringen, Lesley Roman Arias, Michael van Vliet + 3 more
Matrix effect limits the accuracy of quantitation of the otherwise popular metabolomics technique liquid chromatography coupled to mass spectrometry (LC-MS). The gold standard to correct for this phenomenon, whereby compounds co-eluting with the analyte-of-interest cause ionization enhancement or suppression, is to…
Authors not listed
Single-cell mass spectrometry (SCMS) has emerged as a powerful tool for analyzing metabolites in individual cells, including live cells. However, cell metabolites have rapid turnover rate, whereas maintaining metabolites’ profiles of live cells during sample transport, storage, or extended measurements can be…
Ramtin Hosseini, Neda Hassanpour, Liping Liu, Soha Hassoun
Results: To interpret measurements, we present an inference-based approach, termed Probabilistic modeling for Untargeted Metabolomics Analysis (PUMA). Our approach captures metabolomics measurements and the biological network for the biological sample under study in a generative model and uses stochastic sampling to…
Kas J. Houthuijs, Giel Berden, Udo F. H. Engelke, Vasuk Gautam + 4 more
Infrared ion spectroscopy (IRIS) continues to see increasing use as an analytical tool for small-molecule identification in conjunction with mass spectrometry (MS). The IR spectrum of an m/z selected population of ions constitutes a unique fingerprint that is specific to the molecular structure. However, direct…
Authors not listed
In drug discovery, metabolite identification data is used to identify metabolic soft spots in research molecules to facilitate reduced metabolism in subsequently designed compounds. In addition, knowledge about exact metabolite structures enables the assessment of risks associated with active, reactive, or toxic…
Tuobang Li
mass-weighted intensity distributions Authors: ['Tuobang Li'] Metabolic pathways are fundamental maps in biochemistry that detail how molecules are transformed through various reactions. Metabolomics refers to the large-scale study of small molecules. High-throughput, untargeted, mass spectrometry-based metabolomics…