Search Results - "Lloyd, Gavin R."
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Partial least squares discriminant analysis: taking the magic away
Published in Journal of chemometrics (01-04-2014)“…Partial least squares discriminant analysis (PLS‐DA) has been available for nearly 20 years yet is poorly understood by most users. By simple examples, it is…”
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Simultaneously discovering the fate and biochemical effects of pharmaceuticals through untargeted metabolomics
Published in Nature communications (03-08-2023)“…Untargeted metabolomics is an established approach in toxicology for characterising endogenous metabolic responses to xenobiotic exposure. Detecting the…”
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Partial least squares discriminant analysis for chemometrics and metabolomics: How scores, loadings, and weights differ according to two common algorithms
Published in Journal of chemometrics (01-04-2018)“…Two common algorithms for partial least squares discriminant analysis developed by Wold (NIPALS) and by Martens are compared. Although their classification…”
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4
Re-evaluating the role of the Mahalanobis distance measure
Published in Journal of chemometrics (01-04-2016)“…It is shown that the sum of squares of the standardised scores of all non‐zero principal components (PCs) equals the squared Mahalanobis distance. A new…”
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Lipidome characterisation and sex-specific differences in type 1 and type 2 diabetes mellitus
Published in Cardiovascular diabetology (29-03-2024)“…In this study, we evaluated the lipidome alterations caused by type 1 diabetes (T1D) and type 2 diabetes (T2D), by determining lipids significantly associated…”
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The Lipidomic Profile Is Associated with the Dietary Pattern in Subjects with and without Diabetes Mellitus from a Mediterranean Area
Published in Nutrients (01-06-2024)“…Lipid functions can be influenced by genetics, age, disease states, and lifestyle factors, particularly dietary patterns, which are crucial in diabetes…”
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Mirrored stainless steel substrate provides improved signal for Raman spectroscopy of tissue and cells
Published in Journal of Raman spectroscopy (01-01-2017)“…Raman spectroscopy (RS) is a powerful technique that permits the non‐destructive chemical analysis of cells and tissues without the need for expensive and…”
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Supervised Self Organizing Maps for Classification and Determination of Potentially Discriminatory Variables: Illustrated by Application to Nuclear Magnetic Resonance Metabolomic Profiling
Published in Analytical chemistry (Washington) (15-01-2010)“…The article describes the extension of the self organizing maps discrimination index (SOMDI) for cases where there are more than two classes and more than one…”
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Automated Sample Preparation and Data Collection Workflow for High-Throughput In Vitro Metabolomics
Published in Metabolites (08-01-2022)“…Regulatory bodies have started to recognise the value of in vitro screening and metabolomics as two types of new approach methodologies (NAMs) for chemical…”
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Infrared Spectroscopic Analysis in the Differentiation of Epithelial Misplacement From Adenocarcinoma in Sigmoid Colonic Adenomatous Polyps
Published in Clinical pathology (Thousand Oaks, Ventura County, Calif.) (2022)“…Purpose: The differential diagnosis of epithelial misplacement from invasive cancer in the colon is a challenging endeavour, augmented by the introduction of…”
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An Extensive Metabolomics Workflow to Discover Cardiotoxin-Induced Molecular Perturbations in Microtissues
Published in Metabolites (21-09-2021)“…Discovering modes of action and predictive biomarkers of drug-induced structural cardiotoxicity offers the potential to improve cardiac safety assessment of…”
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Species-Specific Variations in the Metabolomic Profiles of Acropora hyacinthus and Acropora millepora Mask Acute Temperature Stress Effects in Adult Coral Colonies
Published in Frontiers in Marine Science (25-03-2021)“…Coral reefs are suffering unprecedented declines in health state on a global scale. Some have suggested that human assisted evolution or assisted gene flow may…”
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Assessment of a custom-built Raman spectroscopic probe for diagnosis of early oesophageal neoplasia
Published in Journal of biomedical optics (01-08-2012)“…We evaluate the potential of a custom-built fiber-optic Raman probe, suitable for in vivo use, to differentiate between benign, metaplastic (Barrett's…”
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Suitability of Dried Blood Spots for Accelerating Veterinary Biobank Collections and Identifying Metabolomics Biomarkers With Minimal Resources
Published in Frontiers in veterinary science (22-06-2022)“…Biomarker discovery using biobank samples collected from veterinary clinics would deliver insights into the diverse population of pets and accelerate…”
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Multi-Omics Analysis of Diabetic Heart Disease in the db/db Model Reveals Potential Targets for Treatment by a Longevity-Associated Gene
Published in Cells (Basel, Switzerland) (21-05-2020)“…Characterisation of animal models of diabetic cardiomyopathy may help unravel new molecular targets for therapy. Long-living individuals are protected from the…”
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Derivation of metabolic point of departure using high-throughput in vitro metabolomics: investigating the importance of sampling time points on benchmark concentration values in the HepaRG cell line
Published in Archives of toxicology (01-03-2023)“…Amongst omics technologies, metabolomics should have particular value in regulatory toxicology as the measurement of the molecular phenotype is the closest to…”
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Oxidative stress from DGAT1 oncoprotein inhibition in melanoma suppresses tumor growth when ROS defenses are also breached
Published in Cell reports (Cambridge) (21-06-2022)“…Dysregulated cellular metabolism is a cancer hallmark for which few druggable oncoprotein targets have been identified. Increased fatty acid (FA) acquisition…”
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Multi-omics bioactivity profile-based chemical grouping and read-across: a case study with Daphnia magna and azo dyes
Published in Archives of toxicology (01-08-2024)“…Grouping/read-across is widely used for predicting the toxicity of data-poor target substance(s) using data-rich source substance(s). While the chemical…”
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Metabolomics Simultaneously Derives Benchmark Dose Estimates and Discovers Metabolic Biotransformations in a Rat Bioassay
Published in Chemical research in toxicology (17-06-2024)“…Benchmark dose (BMD) modeling estimates the dose of a chemical that causes a perturbation from baseline. Transcriptional BMDs have been shown to be relatively…”
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Rapid identification of human muscle disease with fibre optic Raman spectroscopy
Published in Analyst (London) (30-05-2022)“…The diagnosis of muscle disorders ("myopathies") can be challenging and new biomarkers of disease are required to enhance clinical practice and research…”
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