Relevant bibliographies by topics / Metabolomic chemistry

Academic literature on the topic 'Metabolomic chemistry'

Author: Grafiati
Published: 10 December 2022
Last updated: 28 January 2023

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Journal articles on the topic "Metabolomic chemistry"

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Delporte, Cédric, Nausicaa Noret, Cécile Vanhaverbeke, Olivier J. Hardy, Jean-François Martin, Marie Tremblay-Franco, David Touboul, et al. "Does the Phytochemical Diversity of Wild Plants Like the Erythrophleum genus Correlate with Geographical Origin?" Molecules 26, no. 6 (March 17, 2021): 1668. http://dx.doi.org/10.3390/molecules26061668.

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Secondary metabolites are essential for plant survival and reproduction. Wild undomesticated and tropical plants are expected to harbor highly diverse metabolomes. We investigated the metabolomic diversity of two morphologically similar trees of tropical Africa, Erythrophleum suaveolens and E. ivorense, known for particular secondary metabolites named the cassaine-type diterpenoids. To assess how the metabolome varies between and within species, we sampled leaves from individuals of different geographic origins but grown from seeds in a common garden in Cameroon. Metabolites were analyzed using reversed phase LC-HRMS(/MS). Data were interpreted by untargeted metabolomics and molecular networks based on MS/MS data. Multivariate analyses enabled us to cluster samples based on species but also on geographic origins. We identified the structures of 28 cassaine-type diterpenoids among which 19 were new, 10 were largely specific to E. ivorense and five to E. suaveolens. Our results showed that the metabolome allows an unequivocal distinction of morphologically-close species, suggesting the potential of metabolite fingerprinting for these species. Plant geographic origin had a significant influence on relative concentrations of metabolites with variations up to eight (suaveolens) and 30 times (ivorense) between origins of the same species. This shows that the metabolome is strongly influenced by the geographical origin of plants (i.e., genetic factors).
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Kim, Hyun Woo. "Metabolomic Approaches to Investigate the Effect of Metformin: An Overview." International Journal of Molecular Sciences 22, no. 19 (September 24, 2021): 10275. http://dx.doi.org/10.3390/ijms221910275.

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Metformin is the first-line antidiabetic drug that is widely used in the treatment of type 2 diabetes mellitus (T2DM). Even though the various therapeutic potential of metformin treatment has been reported, as well as the improvement of insulin sensitivity and glucose homeostasis, the mechanisms underlying those benefits are still not fully understood. In order to explain the beneficial effects on metformin treatment, various metabolomics analyses have been applied to investigate the metabolic alterations in response to metformin treatment, and significant systemic metabolome changes were observed in biofluid, tissues, and cells. In this review, we compare the latest metabolomic research including clinical trials, animal models, and in vitro studies comprehensively to understand the overall changes of metabolome on metformin treatment.
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Meiliana, Anna, Nurrani Mustika Dewi, and Andi Wijaya. "Metabolomics: An Emerging Tool for Precision Medicine." Indonesian Biomedical Journal 13, no. 1 (March 1, 2021): 1–18. http://dx.doi.org/10.18585/inabj.v13i1.1309.

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BACKGROUND: Metabolomics is a developed technology that comprehensively analyzes the metabolites in biological specimens. It appears to be a prospective method in the practice of precision medicine.CONTENT: Metabolomic technologies currently surpass beyond the traditional clinical chemistry techniques. Metabolomic is capable to perform a precise analysis for hundreds to thousands of metabolites, therefore provide a detailed characterization of metabolic phenotypes and metabolic derangements that underlie disease, to represent an individual’s overall health status, furthermore to discover new precise therapeutic targets, and discovery of biomarkers, either for diagnosis or therapy monitoring purpose.SUMMARY: Adequate data processing and quantification methods are still needed to be developed to boost integrated -omics as a powerful clinical practice platform.KEYWORDS: metabolomic, precision medicine, phenotyping, biomarker, nutritional pattern
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Segers, Karen, Sven Declerck, Debby Mangelings, Yvan Vander Heyden, and Ann Van Eeckhaut. "Analytical techniques for metabolomic studies: a review." Bioanalysis 11, no. 24 (December 2019): 2297–318. http://dx.doi.org/10.4155/bio-2019-0014.

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Metabolomics is the comprehensive study of small-molecule metabolites. Obtaining a wide coverage of the metabolome is challenging because of the broad range of physicochemical properties of the small molecules. To study the compounds of interest spectroscopic (NMR), spectrometric (MS) and separation techniques (LC, GC, supercritical fluid chromatography, CE) are used. The choice for a given technique is influenced by the sample matrix, the concentration and properties of the metabolites, and the amount of sample. This review discusses the most commonly used analytical techniques for metabolomic studies, including their advantages, drawbacks and some applications.
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Tsuchida, Sachio, and Tomohiro Nakayama. "Metabolomics Research in Periodontal Disease by Mass Spectrometry." Molecules 27, no. 9 (April 30, 2022): 2864. http://dx.doi.org/10.3390/molecules27092864.

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Periodontology is a newer field relative to other areas of dentistry. Remarkable progress has been made in recent years in periodontology in terms of both research and clinical applications, with researchers worldwide now focusing on periodontology. With recent advances in mass spectrometry technology, metabolomics research is now widely conducted in various research fields. Metabolomics, which is also termed metabolomic analysis, is a technology that enables the comprehensive analysis of small-molecule metabolites in living organisms. With the development of metabolite analysis, methods using gas chromatography–mass spectrometry, liquid chromatography–mass spectrometry, capillary electrophoresis–mass spectrometry, etc. have progressed, making it possible to analyze a wider range of metabolites and to detect metabolites at lower concentrations. Metabolomics is widely used for research in the food, plant, microbial, and medical fields. This paper provides an introduction to metabolomic analysis and a review of the increasing applications of metabolomic analysis in periodontal disease research using mass spectrometry technology.
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Kiseleva, Olga, Ilya Kurbatov, Ekaterina Ilgisonis, and Ekaterina Poverennaya. "Defining Blood Plasma and Serum Metabolome by GC-MS." Metabolites 12, no. 1 (December 24, 2021): 15. http://dx.doi.org/10.3390/metabo12010015.

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Metabolomics uses advanced analytical chemistry methods to analyze metabolites in biological samples. The most intensively studied samples are blood and its liquid components: plasma and serum. Armed with advanced equipment and progressive software solutions, the scientific community has shown that small molecules’ roles in living systems are not limited to traditional “building blocks” or “just fuel” for cellular energy. As a result, the conclusions based on studying the metabolome are finding practical reflection in molecular medicine and a better understanding of fundamental biochemical processes in living systems. This review is not a detailed protocol of metabolomic analysis. However, it should support the reader with information about the achievements in the whole process of metabolic exploration of human plasma and serum using mass spectrometry combined with gas chromatography.
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Main, Sawyer C., Lindsay P. Brown, Kelly R. Melvin, Shawn R. Campagna, Brynn H. Voy, Hector F. Castro, Lewrell G. Strickland, et al. "Metabolomic Profiles in Starved Light Breed Horses during the Refeeding Process." Animals 12, no. 19 (September 21, 2022): 2527. http://dx.doi.org/10.3390/ani12192527.

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The large population of emaciated horses continues to be an issue troubling the equine industry. However, little is known regarding the collection of equine metabolites (metabolome) during a malnourished state and the changes that occur throughout nutritional rehabilitation. In this study, ten emaciated horses underwent a refeeding process, during which blood samples were collected for a blood chemistry panel and metabolomics analysis via ultrahigh performance liquid chromatography–high resolution mass spectrometry (UHPLC-HRMS). Significant differences among blood chemistry analytes and metabolite abundance during the critical care period (CCP; Days 1–10 of rehabilitation) and the recovery period (RP; the remainder of the rehabilitation process) were observed. Potentially toxic compounds, analytes related to liver, kidney, and muscle function, as well as energy-related metabolites were altered during the refeeding process. The combination of blood chemistry and metabolomics analyses on starved equine during rehabilitation provide vital biological insight and evidence that the refeeding process has a significant impact on the equine metabolome.
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Paganelli, Alessia, Valeria Righi, Elisabetta Tarentini, and Cristina Magnoni. "Current Knowledge in Skin Metabolomics: Updates from Literature Review." International Journal of Molecular Sciences 23, no. 15 (August 7, 2022): 8776. http://dx.doi.org/10.3390/ijms23158776.

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Metabolomic profiling is an emerging field consisting of the measurement of metabolites in a biological system. Since metabolites can vary in relation to different stimuli, specific metabolic patterns can be closely related to a pathological process. In the dermatological setting, skin metabolomics can provide useful biomarkers for the diagnosis, prognosis, and therapy of cutaneous disorders. The main goal of the present review is to present a comprehensive overview of the published studies in skin metabolomics. A search for journal articles focused on skin metabolomics was conducted on the MEDLINE, EMBASE, Cochrane, and Scopus electronic databases. Only research articles with electronically available English full text were taken into consideration. Studies specifically focused on cutaneous microbiomes were also excluded from the present search. A total of 97 papers matched all the research criteria and were therefore considered for the present work. Most of the publications were focused on inflammatory dermatoses and immune-mediated cutaneous disorders. Skin oncology also turned out to be a relevant field in metabolomic research. Only a few papers were focused on infectious diseases and rarer genetic disorders. All the major metabolomic alterations published so far in the dermatological setting are described extensively in this review.
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Satori, Chad P., Marzieh Ramezani, Joseph S. Koopmeiners, Audrey F. Meyer, Jose A. Rodriguez-Navarro, Michelle M. Kuhns, Thane H. Taylor, Christy L. Haynes, Joseph J. Dalluge, and Edgar A. Arriaga. "Checkpoints for preliminary identification of small molecules found enriched in autophagosomes and activated mast cell secretions analyzed by comparative UPLC/MSe." Analytical Methods 9, no. 1 (2017): 46–54. http://dx.doi.org/10.1039/c6ay02500e.

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Miettinen, Teemu, Anni I. Nieminen, Pekka Mäntyselkä, Eija Kalso, and Jörn Lötsch. "Machine Learning and Pathway Analysis-Based Discovery of Metabolomic Markers Relating to Chronic Pain Phenotypes." International Journal of Molecular Sciences 23, no. 9 (May 3, 2022): 5085. http://dx.doi.org/10.3390/ijms23095085.

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Recent scientific evidence suggests that chronic pain phenotypes are reflected in metabolomic changes. However, problems associated with chronic pain, such as sleep disorders or obesity, may complicate the metabolome pattern. Such a complex phenotype was investigated to identify common metabolomics markers at the interface of persistent pain, sleep, and obesity in 71 men and 122 women undergoing tertiary pain care. They were examined for patterns in d = 97 metabolomic markers that segregated patients with a relatively benign pain phenotype (low and little bothersome pain) from those with more severe clinical symptoms (high pain intensity, more bothersome pain, and co-occurring problems such as sleep disturbance). Two independent lines of data analysis were pursued. First, a data-driven supervised machine learning-based approach was used to identify the most informative metabolic markers for complex phenotype assignment. This pointed primarily at adenosine monophosphate (AMP), asparagine, deoxycytidine, glucuronic acid, and propionylcarnitine, and secondarily at cysteine and nicotinamide adenine dinucleotide (NAD) as informative for assigning patients to clinical pain phenotypes. After this, a hypothesis-driven analysis of metabolic pathways was performed, including sleep and obesity. In both the first and second line of analysis, three metabolic markers (NAD, AMP, and cysteine) were found to be relevant, including metabolic pathway analysis in obesity, associated with changes in amino acid metabolism, and sleep problems, associated with downregulated methionine metabolism. Taken together, present findings provide evidence that metabolomic changes associated with co-occurring problems may play a role in the development of severe pain. Co-occurring problems may influence each other at the metabolomic level. Because the methionine and glutathione metabolic pathways are physiologically linked, sleep problems appear to be associated with the first metabolic pathway, whereas obesity may be associated with the second.
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Dissertations / Theses on the topic "Metabolomic chemistry"

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Pesko, Bogumila Katarzyna. "Estimation of time since death using comparative proteomic and metabolomic approaches." Thesis, University of Glasgow, 2017. http://theses.gla.ac.uk/8179/.

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The success of forensic investigation very often depends on the establishment of the correct timeline of events. In the investigation of fatalities, this depends greatly on the estimation of the time since death of the victim. Current methods lead to inaccurate results and depend greatly on the experience of the investigator. Pathologists estimate the time since death based on visual inspection of the bodies as well as body temperature measurement. Only very short post-mortem intervals (PMIs) can be evaluated with some degree of certainty. This investigation used untargeted proteomic and metabolomic approaches to identify potential molecular markers (proteins, metabolites) which could help to quantify post-mortem changes and aid PMI estimation. Animal models were used in the initial stages of the project. Aged beef meat (stored at 4°C for 13 days) and rat muscle samples (intact cadavers stored at ambient temperature for 3 days) were sampled at 24 h time intervals. In the final stages of the project, human tissue samples were collected at the Forensic Anthropology Centre at Texas State University (San Marcos, Texas). Muscle samples were collected at various times post-mortem from 6 different subjects over the period of two weeks. For the proteomics experiment, 0.5g of tissue was homogenized in extraction buffer consisting of urea, thiourea and 3-((3-cholamidopropyl) dimethylammonio)-1-propanesulfonate (CHAPS). Protein separation was carried out using two-dimensional gel electrophoresis. Protein identification was performed using liquid chromatography-tandem mass spectrometry. For the metabolomics experiment, 0.5g of tissue was homogenized in chloroform/methanol/water solution. The extracted samples were analysed using liquid chromatography-mass spectrometry as well as gas chromatography – mass spectrometry. The investigation allowed the identification of potential biomarker candidates. The proteins of interest varied between the sampled mammals. However, myosin and actin appear as promising candidates for all three species. The metabolomics experiments yielded a large number of possible biomarker candidates. Both liquid and gas chromatography approaches were successfully applied, pointing towards various compounds. Proteogenic amino acids were identified as main compounds of interest in all species using both methods. The study has shown that both proteomic and metabolomic approaches can be successfully applied in forensic medical science and can help to find PMI markers. Using the untargeted approach gives the advantage of looking at a whole range of detected molecules and choosing the most appropriate ones for the task. Furthermore, the combination of these two approaches gives a deeper insight into the post-mortem biological processes. The biomarker candidates proposed in this study require further validation in a larger cohort of subjects.
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Wipulaguna, M. A. Anushika Shiromi. "Use of metabolomic studies to understand the chemical role of ETHE1 in Arabidopsis thaliana." Miami University / OhioLINK, 2014. http://rave.ohiolink.edu/etdc/view?acc_num=miami1417604333.

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Jaeger, Frederick Howard. "Simplified Plant Sample Preparation for use in Gas Chromatography-Mass Spectrometry (GC-MS) Based Metabolomic Profiling and Targeted Analyte Quantitation." NCSU, 2008. http://www.lib.ncsu.edu/theses/available/etd-02202008-155316/.

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A simple, fast, reproducible and less laborious sample preparation protocol was developed for the analysis of Arabidopsis thaliana using Gas chromatography coupled with mass spectrometry (GC-MS). In particular, a semi-automated machine tool is used to replace the traditional mortar-pestle method in tissue grinding. One-pot chemical extraction-derivatization is used to provide simplified sample preparation over the conventional multi-step liquid-liquid extraction protocol. Wild-type and transgenic Arabidopsis thaliana seedlings were used as the model system to evaluate performance of this newly developed method for use in metabolic profiling and also targeted quantitative analysis of salicylic acid for the study of systemic acquired resistance.
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Taraboletti, Alexandra Anna. "Chemical and Metabolomic Analyses of Cuprizone-Induced Demyelination and Remyelination." University of Akron / OhioLINK, 2017. http://rave.ohiolink.edu/etdc/view?acc_num=akron1498535047689141.

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Vincent, Isabel May. "Using metabolomic analyses to study mode of action of and resistance to Eflornithine in Trypanosoma brucei." Thesis, University of Glasgow, 2011. http://theses.gla.ac.uk/3125/.

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Human African trypanosomiasis (HAT) is a disease that is in desperate need of new pharmacological agents active against the causative parasite, the flagellated protozoan Trypanosoma brucei. In this thesis, new metabolomics techniques have been developed to study pathways in response to drug action with the aim of defining the mode of action of current and future drugs. Eflornithine, a polyamine pathway inhibitor, was used as a proof of principle, revealing both expected changes that correlate well with the literature and unexpected changes that lead to pathways and metabolites not previously described in bloodstream form trypanosomes. One metabolite not previously described in trypanosomes is acetylornithine, whose levels correlate well with ornithine and whose production comes directly from ornithine transported from the medium. Nifurtimox and the nifurtimox- eflornithine combination therapy were assayed for changes to their metabolomes revealing changes in nifurtimox treatment that included alterations to sugar and purine levels. The combination therapy had reduced changes to some metabolites compared to each drug in isolation suggesting reasons for the combination‟s lack of synergy. Isotopically labelled metabolites were also of use in determining flux through the pathways identified as being affected by drug perturbation. These techniques, along with other biochemical techniques, were used to show arginase activity is absent in bloodstream form trypanosomes and that ornithine is not made from arginine when ornithine is present in the medium. Arginine can, however, be used to produce ornithine through an arginase-independent mechanism when exogenous ornithine is lacking. Evidence is also provided that parts of the pentose phosphate pathway, not thought to be active in bloodstream form trypanosomes, may still be active in in vitro grown cells. A mechanism of resistance to eflornithine involving the deletion of an amino acid transporter that is able to transport eflornithine is also described. It is hoped that simple PCR-based tests for this resistance mechanism will be of use in resistant foci in prescribing appropriate drugs to HAT patients.
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Thomas, Éric. "Stratégies de marquage chimiospécifique et bioorthogonale pour l’analyse métabolomique des rétinoïdes." Thesis, Strasbourg, 2017. http://www.theses.fr/2017STRAF052.

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Ce travail est composé de trois projets. Le premier projet a pour objectif de découvrir de nouveaux métabolites de la vitamine A. Il a consisté en la synthèse d’un analogue du rétinaldéhyde, portant une fonction azoture et permettant de suivre son devenir in vivo. Le second projet a consisté en l’élaboration de la sonde ATPP permettant l’analyse de l’ensemble des métabolites aldéhydiques d’un échantillon. La sonde permet un gain de sensibilité en LS-MS². Une analyse de sa biodistribution a été faite, et montre que la sonde ATPP, après injection intrapéritonéale, est distribuée in vivo. Concernant le troisième projet, un réactif de couplage homobifonctionnel « thiol-thiol » a été élaboré. Les produits du couplage ont montré une excellente stabilité plasmatique. Le réactif a d’abord été appliqué avec succès au couplage de petites molécules, puis au couplage d’un oligonucléotide modifié et d’un peptide
This work consists of three projects. The first project aims to discover new metabolites of vitamin A. An analog of retinaldehyde, carrying an azide function was synthesized. It would allow to follow its fate in vivo. The second project consisted in the development of a probe allowing the analysis of all the aldehyde metabolites in a sample. The probe provides sensitivity gain in LS-MS². An analysis of its biodistribution has been done, and showed the ATPP probe is distributed after an intraperitoneal injection. Concerning the third project, a homobifunctional coupling reagent "thiol-to-thiol" has been developed. The coupling products showed excellent plasma stability. The reagent was first successfully applied to the coupling of small molecules and then to the coupling of a modified oligonucleotide and a peptide
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Telo, Jasmin. "Conditioning of chromatographic systems prior to metabolomic studies : Investigation of the conditioning effect and the possibility to alter it." Thesis, Uppsala universitet, Avdelningen för analytisk farmaceutisk kemi, 2017. http://urn.kb.se/resolve?urn=urn:nbn:se:uu:diva-324642.

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The conditioning effect in metabolomic studies is the phenomenon of initial variation of analytical results in the first 5-10 injections of a biological sample in chromatographic systems. The deviation manifests itself as a drift in retention time, peak area and in multivariate analysis. It is a major quality assurance problem in the metabolomic field and if not accounted for would result in high analytical variance. The aim of this study was to investigate the conditioning effect and to gain further knowledge about it. The study was carried out on UPLC of hydrophilic liquid chromatography (HILIC) type coupled to quadrupole time of flight (QTOF) MS. A systematic study was designed to investigate the effects of the age of the analytical column. An investigation into certain matrix components as a possible cause of the conditioning effect was made. Different sample preparation methods were investigated. One result showed that no conditioning could be seen and the system appeared stable from the first injection. Differences in sample composition between samples with conditioning effect and samples without conditioning effect were investigated. No correlation between conditioning effect and levels of certain matrix compounds could be found. More studies of correlation between sample composition and the amount of conditioning occurring is needed. Some samples appear to have no retention time drift but have a significant drift in peak area and in multivariate analysis. This is an indication that the conditioning effect should be analysed in more ways than one before determining if a system is stable.
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Bentley, Joanne. "Comparative metabolomic profiling of phenolics in the desiccation-tolerant “resurrection plant” Myrothamnus flabellifolia (Myrothamnaceae) using conventional and green chemistry-based solvent systems." Doctoral thesis, Faculty of Science, 2019. http://hdl.handle.net/11427/30437.

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Myrothamnus flabellifolia (Myrothamnaceae) belongs to a group of ±300 angiosperm species known as “resurrection plants” that exhibit vegetative desiccation tolerance. They are able to survive dehydration to an air-dry state, tolerating up to 95% cellular water loss for a prolonged period of time followed by the rapid recovery of metabolism in the tissues within 24–72 h of rehydration. Prolonged cellular water loss is deleterious and is associated with the production of reactive oxygen species (ROS), which causes cellular degeneration, and ultimately, death. Resurrection plants have evolved various strategies to ameliorate this damage, including biochemical, ultrastructural, and anatomical modifications. Myrothamnus flabellifolia is widespread across southern Africa, and within its range it occurs in regions that experience high, moderate, and low rainfall; the low rainfall region also being associated with longer dry periods. Myrothamnus flabellifolia has historically been used for the treatment of chest infections, uterine pain, and gingivitis, and, more recently, has been shown to exhibit various phytochemical activities relating to the potential inhibition of diabetes, reverse transcriptases, and microbes. Previous studies have found M. flabellifolia extracts to contain high levels of polyphenolic compounds, which act as protectants against the ROS-induced damages caused by prolonged periods without moisture. However, a global assessment of the phenolic constituents, including anthocyanins, present in M. flabellifolia from across its geographic range is currently lacking. As the biosynthesis of compounds is likely to be subject to a fair amount of environmental control, an evaluation of the molecules present in this species from across its geographic range is warranted. Thus, in this study, a liquid chromatography-tandem mass spectrometry (LC-MS/MS) metabolomics approach was used to screen for phenolic compounds, including anthocyanins, from leaf material sampled in the field from eight populations representing the western, southern, and eastern range of the species distribution. Putative phenolic compounds were identified based on their MSE spectra in the negative ionisation and positive ionisation (for anthocyanins) modes. Their potential roles in the ROS-scavenging capacity of this plant were also discussed. Using this information, multivariate statistics were used to compare the phenolic profiles of the different populations in order to ascertain whether plants from the different regions were associated with any particular phenolic signature, and this was also evaluated against a phylogenetic hypothesis for species relationships based on three non-coding chloroplastic markers. Additionally, a preliminary green chemistry-based extraction protocol using Natural Deep Eutectic Solvents was also used to further screen for phenolic compounds, and this was compared against the conventional organic solvent system. Several phenolic compounds not previously detected in M. flabellifolia were putatively identified, many of which, based on an assessment of the literature, are associated with high antioxidant activity. The phylogenetic analyses suggested that the Namibian plants are more highly diverged than the South African and Malawian plants. The metabolomics analysis corroborated the DNA analysis, in that the most differentially expressed ions in the Namibian population were able to discriminate these samples from both the Malawian and South African samples. While the phenolic profiles of the samples collected from the same countries were similar, there was reasonable withinpopulation variability in those collected from South Africa and Malawi. Conversely, the Namibian samples exhibited far less variability, suggesting that a particular suite of protective compounds may be required for survival in that comparatively drier region. A Natural Deep Eutectic Solvent-based system successfully targeted phenolics in M. flabellifolia and thus constitutes a potential future green chemistry solution for phytochemical investigations in medicinal plants.
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Porter, Sarah Elizabeth Graham. "Chemometric Analysis of Multivariate Liquid Chromatography Data: Applications in Pharmacokinetics, Metabolomics, and Toxicology." VCU Scholars Compass, 2006. http://scholarscompass.vcu.edu/etd/1156.

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In the first part of this work, LC-MS data were used to calculate the in-vitro intrinsic clearances (CLint) for the metabolism of p-methoxyrnethamphetamine (PMMA) and fluoxetine by the CYP2D6 enzyme using a steady-state (SS) approach and a new general enzyme (GE) screening method. For PMMA, the SS experiment resulted in a CLint of 2.7 ± 0.2 µL pmol 2D6-1min-1 and the GE experiment resulted in a CLint of 3.0 ± 0.6 µL pmol 2D6-1min-1. For fluoxetine, the SS experiment resulted in a CLint of 0.33 ± 0.17 µL pmol 2D6-1min-1 and the GE experiment resulted in a CLint of 0.188 ± 0.013 µL pmol 2D6-1min-1. The inhibition of PMMA metabolism by fluoxetine was also demonstrated.In the second part of the work, target factor analysis was used as part of a library search algorithm for the identification of drugs in LC-DAD chromatograms. The ability to resolve highly overlapped peaks using the spectral data afforded by the DAD is what distinguished this method from conventional library searching methods. A validation data set of 70 chromatograms was used to calculate the sensitivity (correct identification of positives) and specificity (correct identification of negatives) of the method, which were 92% and 94% respectively.Finally, the last part of the work shows the development of data analysis methods for four-way data generated by two-dimensional liquid chromatography separations with DAD. Maize seedlings were analyzed, specifically focusing on indole-3-acetic acid (IAA) and related compounds. Window target testing factor analysis was used to identify the spectral groups represented by the standards in the mutant and wild-type chromatograms. Two curve resolution algorithms were applied to resolve overlapped components in the data and to demonstrate the quantitative potential of these methods. A total of 95 peaks were resolved. Of those peaks, 45 were found in both the mutant and wild-type maize, 16 peaks were unique to the mutants, 13 peaks were unique to the wild-types, and the remaining peaks were standards. Several IAA conjugates were quantified in the maize samples at levels of 0.3 - 2 µg/g plant material.
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Zhang, Linwen. "Emerging Methods for Single Cell Metabolomics." Thesis, The George Washington University, 2018. http://pqdtopen.proquest.com/#viewpdf?dispub=10746962.

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Single cell metabolomics provides new insights into understanding cellular heterogeneity of small molecules, and individual cell response to environmental perturbations. With high sensitivity and specificity, mass spectrometry (MS) has become an important tool for analyzing metabolites, lipids, and peptides in individual cells. Facing significant challenges, single cell and subcellular analysis by MS requires technical advances to answer fundamental biological questions, for example the phenotypic variations of genetically identical cells. The work presented in this dissertation describes my efforts to develop and apply capillary microsampling MS with ion mobility separation (IMS) for the analysis of single cells and subcellular compartments.

Chapter 1 introduces MS based analytical techniques for single cell and subcellular analysis. Recent advances of sampling and ionization methods for MS analysis of volume-limited samples are reviewed with emphasis on ambient ionization techniques, cell micromanipulation methods, and rapid gas phase separations.

In Chapter 2, the application of capillary microsampling electrospray ionization (ESI)-IMS-MS for metabolic and lipidomic analysis of single Arabidopsis thaliana epidermal cells is presented. Distinct metabolite compositions and metabolic pathways are identified among basal and pavement cells, and trichomes. These three specialized epidermal cells serve different functions in the plant leaf, and our single cell MS data reveals the corresponding metabolic pathways.

In Chapter 3, it describes the utilization of capillary microsampling ESI-IMS-MS for the analysis of metabolites and lipids in single human hepatocellular carcinoma cells. Cellular physiological states and their heterogeneity in response to xenobiotics treatment, and lipid turnover rates are explored. Here, IMS helps to enhance molecular coverage, facilitate metabolite and lipid identification, resolve isobaric ions, and minimize background interference. Comparing cells affected by metabolic modulators to unaffected counterparts reveals dramatic reduction in the availability of energy in the former.

In Chapter 4, the combination of fluorescence microscopy with capillary microsampling ESI-IMS-MS for selective analysis of identified cell subpopulations at a single cell level is demonstrated. Molecular differences and heterogeneity corresponding to cells in distinct mitotic stages are explored. Pairwise correlations between relative metabolite levels among individual mitotic cells are also studied.

In Chapter 5, the subcellular distributions of neuropeptides in individual identified neurons are explored by capillary microsampling ESI-IMS-MS. Distinct peptide distributions between the cytoplasm and nucleus are revealed. Mass spectra provide direct evidence for high abundance of these peptides in the nucleus despite the scarcity of immunostaining results supporting their presence there. A new neuropeptide is discovered and sequenced by MS in a single cell.

In Chapter 6, the current state of single cell and subcellular metabolomics is discussed. Major challenges include the low-throughput of current sampling techniques, low molecular coverage of metabolites, lipids and peptides, and external perturbations introduced by the sampling and ionization processes. In addition to exploring new solutions to these challenges, future advances will lead to the development of systems biology at the single cell level, to nano- and micro-fabricated tools to study perturbations in a lab-in-a-cell framework, and to coupling with optical manipulations and microfluidic techniques to investigate subcellular heterogeneity.

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Books on the topic "Metabolomic chemistry"

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Processing Metabolomics and Proteomics Data with Open Software: A Practical Guide. Royal Society of Chemistry, The, 2020.

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Zhang, Aihua, Hui Sun, and Xijun Wang. Chinmedomics: The Integration of Serum Pharmacochemistry and Metabolomics to Elucidate the Scientific Value of Traditional Chinese Medicine. Elsevier Science & Technology Books, 2015.

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Zhang, Aihua, Hui Sun, and Xijun Wang. Chinmedomics: The Integration of Serum Pharmacochemistry and Metabolomics to Elucidate the Scientific Value of Traditional Chinese Medicine. Elsevier Science & Technology Books, 2015.

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Castro-Puyana, María, Miguel Herrero, and María Luisa Marina, eds. Capillary Electrophoresis in Food Analysis. BENTHAM SCIENCE PUBLISHERS, 2022. http://dx.doi.org/10.2174/97898150361521220201.

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Abstract:
This reference describes recent advances and applications of capillary electrophoresis in the field of food science. The first two chapters are devoted to the fundamentals of capillary electrophoresis, and to the main sample preparation techniques used for food analysis using this miniaturized separation technique, respectively. These two introductory chapters are followed by several chapters focused on the different strategies for analyzing specific food components, including lipids, carbohydrates, proteins, peptides, amino acids, vitamins, polyphenols, and food additives. The information provided in these chapters helps readers to understand and develop appropriate methods to carry out a deep characterization of food samples. Relevant concepts such as food authentication, chemical food safety or the control of the quality and safety of dietary supplements, and food metabolomics are also covered, where appropriate. The big potential of capillary electrophoresis to achieve chiral separations and the determination of enantiomers in food samples or to develop targeted and non-targeted metabolomics strategies to ensure food safety and quality is also described. As an additional step towards analytical miniaturization, a chapter devoted to food analysis by microchip electrophoresis is also included in this book. All 14 chapters are contributed by highly experienced researchers in the field. Capillary Electrophoresis in Food Analysis is a key source of information for food chemists and analytical chemists in industry (quality control laboratories) and academia (research labs and training courses).
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Vignoli, Alessia, Gaia Meoni, and Leonardo Tenori, eds. Research in Metabolomics via Nuclear Magnetic Resonance Spectroscopy: Data Mining, Biochemistry and Clinical Chemistry. MDPI, 2022. http://dx.doi.org/10.3390/books978-3-0365-4554-7.

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Book chapters on the topic "Metabolomic chemistry"

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Kim, Yun-Gon, and Alan Saghatelian. "Functional Analysis of Protein Targets by Metabolomic Approaches." In Topics in Current Chemistry, 137–62. Berlin, Heidelberg: Springer Berlin Heidelberg, 2011. http://dx.doi.org/10.1007/128_2011_284.

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Christians, Uwe, Volker Schmitz, Jost Klawitter, and Jelena Klawitter. "Proteo-Metabolomic Strategies in the Future of Drug Development." In Analytical Techniques for Clinical Chemistry, 691–774. Hoboken, NJ, USA: John Wiley & Sons, Inc., 2012. http://dx.doi.org/10.1002/9781118271858.ch24.

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Mahadeo, Keshika, Isabelle Grondin, Hippolyte Kodja, Hermann Thomas, Patricia Clerc, Michel Frederich, and Anne Gauvin-Bialecki. "A Chemotaxonomic Study of 11 Species of the Genus Psiadia Endemic to La Reunion by 1H NMR and GC-MS Based Metabolomic Approach." In Chemistry for a Clean and Healthy Planet, 139–52. Cham: Springer International Publishing, 2019. http://dx.doi.org/10.1007/978-3-030-20283-5_9.

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Jahangir, M., T. R. Nuringtyas, K. Ali, E. G. Wilson, Y. H. Choi, and R. Verpoorte. "CHAPTER 9. NMR-based Metabolomics: Understanding Plant Chemistry and Identification of Biologically Active Compounds." In NMR-based Metabolomics, 246–63. Cambridge: Royal Society of Chemistry, 2018. http://dx.doi.org/10.1039/9781782627937-00246.

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Weinberger, Klaus M., and Marc Breit. "Targeted Metabolomics: The Next Generation of Clinical Chemistry!" In Translational Bioinformatics, 175–211. Dordrecht: Springer Netherlands, 2016. http://dx.doi.org/10.1007/978-94-017-7543-4_7.

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Singh, Rajveer, Robin Joshi, Eduardo D. Munaiz, Sanjay Kumar, and Arun Kumar. "Chapter 17. Application of Metabolomics to Food Systems." In Food Chemistry, Function and Analysis, 416–42. Cambridge: Royal Society of Chemistry, 2021. http://dx.doi.org/10.1039/9781839163005-00416.

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Robards, Kevin. "Chapter 14. Metabolomics and the Measurement of Antioxidant Behavior." In Food Chemistry, Function and Analysis, 454–80. Cambridge: Royal Society of Chemistry, 2021. http://dx.doi.org/10.1039/9781839165337-00454.

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Robards, Kevin. "Chapter 14. Metabolomics and the Measurement of Antioxidant Behavior." In Food Chemistry, Function and Analysis, 454–80. Cambridge: Royal Society of Chemistry, 2021. http://dx.doi.org/10.1039/9781839165337-00454.

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Bervoets, L., and P. Adriaensens. "Chapter 8. Metabolomics in Nutritional Metabolism, Obesity, and Diabetes." In Food Chemistry, Function and Analysis, 210–36. Cambridge: Royal Society of Chemistry, 2020. http://dx.doi.org/10.1039/9781839160608-00210.

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Jones, Oliver A. H., and Helmut M. Hügel. "Bridging the Gap: Basic Metabolomics Methods for Natural Product Chemistry." In Methods in Molecular Biology, 245–66. Totowa, NJ: Humana Press, 2013. http://dx.doi.org/10.1007/978-1-62703-577-4_18.

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Conference papers on the topic "Metabolomic chemistry"

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González-Domínguez, Raúl, Álvaro González-Domínguez, and Alfonso Lechuga-Sancho. "Comparison of the metabolomic signature of diabetes and the oral glucose tolerance test." In 4th International Electronic Conference on Medicinal Chemistry. Basel, Switzerland: MDPI, 2018. http://dx.doi.org/10.3390/ecmc-4-05571.

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Nargoli, Javier, Hugo Cerecetto, Javier Varela, and Mercedez González. "Search of Trypanosomicidal Active Principles by Metabolomic-guided Fractionation in Baccharis trimera." In 3rd International Electronic Conference on Medicinal Chemistry. Basel, Switzerland: MDPI, 2017. http://dx.doi.org/10.3390/ecmc-3-04840.

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Dudley, Ed, Robin Tuytten, Filip Lemiere, Eddy E. Esmans, and Russell P. Newton. "The bioanalysis of urinary modified nucleosides by mass spectrometry: their study as potential metabolomic biomarkers of cancer development." In XIVth Symposium on Chemistry of Nucleic Acid Components. Prague: Institute of Organic Chemistry and Biochemistry, Academy of Sciences of the Czech Republic, 2008. http://dx.doi.org/10.1135/css200810229.

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