Metabolomics and Small Molecules
Metabolomics is an analytical profiling technique for measuring and comparing large numbers of metabolites in cells, tissues, biofluids, or organisms. This approach combines high-throughput analytical chemistry and multivariate data analysis and offers a means to understand metabolic mechanisms.
Metabolomics and Small Biomolecule Analysis
The identification and quantification of these trace level molecules and metabolites in biological samples represents a considerable challenge. The main methodologies used for metabolite recovery and identification are untargeted and targeted mass spectrometry-based techniques. Untargeted metabolomics aims to measure the broadest range of metabolites present in a sample without a priori knowledge of their chemical identity. Conversely, targeted metabolomics provides higher sensitivity and selectivity than untargeted metabolomics, whereby methods are developed and optimized for the analysis of previously identified specific metabolites and metabolic pathways of interest. The CESE Labs utilize state-of-the-art instrumentation to support both targeted and untargeted analysis of complex matrices.
Research Capabilities
CESE has considerable capacity to support a diversity of metabolite and small molecule (< 2000 Da) research projects by providing a quantitative assessment with high precision, for a wide array of small organic bioactive molecules, as well as providing expertise in biostatistical analysis and experimental design. Examples of projects that CESE can support include:
- Analysis of fatty acids and fatty acid metabolites as indicators in patients with chronic hepatitis
- Assess metabolic changes of cancerous tissues to identify metabolites as potential biomarkers
- Quantification biomarkers for diagnostics or potential new drug targets
- Determining the mechanism of action of small molecule drugs by monitoring the associated metabolic pathways
- Identification of regulated metabolites in the pathogenesis of disease as potential biomarkers
- Using untargeted analysis to develop metabolomic models to identify biomarkers of malnutrition in fish
Available Instrumentation
CESE has extensive analytical expertise and advanced instrumentation in both untargeted identification and targeted quantification of small bioactive molecules and their metabolites in biological matrices.
Instruments |
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| Sciex X500R ultra high-performance liquid chromatograph - time-of-flight high resolution mass spectrometer (UHPLC-QToF) | |
| Ultra performance liquid chromatograph/ tandem mass spectrometer (UPLC-MS/MS) | |
| Ultra performance liquid chromatograph with evaporative light scattering, fluorescence, and photo diode array detectors | |
| A diversity of sample preparation equipment such as a Genevac centrifugal evaporator |
Small Molecule Analysis in Biomedical Research
The identification and quantification of trace level, small bioactive molecules in complex matrices, including food, air, water, soil and biological fluids (blood, urine, saliva, hair, etc.) present formidable analytical challenges to basic laboratory and biomedical scientists and researchers. Small molecules have low molecular weights (<2,000 Daltons) and include lipids, monosaccharides, biological messengers, other natural products and metabolites, as well as drugs and environmental xenobiotics. They are distinct from macromolecules such as proteins. Although many of these small compounds provide health-enhancing effects or diagnostic benefits, they can also have large-scale negative impacts on humans and the environment.
Research Capabilities
CESE has considerable capacity to support a diversity of small molecule research projects related to metabolomics, pharmaceuticals, nutrition, and food safety by providing a quantitative assessment of a wide array of small organic molecules ranging from lipids and neurotransmitters to vitamins and antibiotics. Examples of projects that CESE can support include:
- Analysis of lipids in human and mouse tissues
- Quantification of antibiotics in tissue
- Analysis of testosterone and dihydrotestosterone from biological fluids
- Determination of concentrations of vitamins in human plasma and tissue
- Quantification of cortisol as a stress biomarker in human hair and saliva
- Identification and quantification of naturally occurring enterotoxic compounds linked to disease in the intestinal microbiota of humans and other animals
- Trace analysis of leachable compounds from plastics in food, including bisphenol a and phthalates
Available Instrumentation
CESE has extensive analytical expertise and advanced instrumentation in the quantification of small bioactive molecules in a variety of matrices including plant and animal tissues, bacterial extracts, and therapeutics.
Instruments |
| Sciex X500R Ultra High Performance Liquid Chromatograph/Time-of-Flight High Resolution Mass Spectrometer (UHPLC/QTOF) |
| Ultra performance liquid chromatograph/ tandem mass spectrometer (UPLC/MS/MS) |
| UPLC with evaporative light scattering, fluorescence, and photo diode array detectors |
| Biotek Synergy HT Microplate Reader |
| Genevac centrifugal evaporator |
Untargeted Analysis – Biomedical and Environmental
Analyses of complex mixtures of molecules in biological and environmental samples are an extremely challenging task. Targeted approaches provide good sensitivity, consistent identification, and precise quantification of pre-identified target compounds. However, this traditional approach has a significant drawback as it always will miss compounds that were not pre-identified at the start of the analysis, including unknowns or untargeted substances, even if at high concentrations or with bioactive potential. Over the past decade, new hardware and software tools have been developed that make non-targeted screening approaches reliable and affordable, expanding the depth and breath of opportunities in research.
Untargeted analytical approaches are being used in support of research in a diversity of fields, including, gut microbiota profiling, environmental contaminant and metabolite screening, and natural product and bioactive compound discovery.
Research Capabilities
CESE has considerable capacity to support a diversity of research projects related to the quantitative and qualitative analysis of unknown or unidentified compounds. Examples of projects that CESE can support include:
- Measurement of the concentrations of cellular metabolites (Metabolomics)
- Quantitative assessment of metabolic responses of living systems to foreign stimuli (Metabonomics)
- Human and ecological risk assessment through the quantification of PFAS and other emerging organic contaminants in biological tissues and the environment
- Suspect screening of micropollutants in wastewater, surface water, and drinking water
- Characterization of bioactive phytochemical compounds and natural products
- Screening of extracts from Cannabis spp. for pesticides and other pollutants
Available Instrumentation
CESE has extensive analytical expertise and advanced instrumentation to support identification and quantification of untargeted and unknown compounds in ground and surface waters, biological tissue, soil, and sediment.
Instruments |
| Sciex X500R Ultra High Performance Liquid Chromatograph/Time-of-Flight High Resolution Mass Spectrometer (UHPLC/QTOF) |
| Ultra Performance Liquid Chromatograph/ Tandem Mass Spectrometer (UPLC/MS/MS) |
| Custom sample extraction equipment to eliminate contamination of samples with PFAS |
| Genevac automated concentrator |