Relevant bibliographies by topics / Metabolomics, Nuclear Magnetic Resonance

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  1. Journal articles
  2. Dissertations / Theses
  3. Books
  4. Book chapters
  5. Conference papers
  6. Reports

Academic literature on the topic 'Metabolomics, Nuclear Magnetic Resonance'

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Published: 10 March 2023

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Journal articles on the topic "Metabolomics, Nuclear Magnetic Resonance"

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Lombó, Marta, Sara Ruiz-Díaz, Alfonso Gutiérrez-Adán, and María-Jesús Sánchez-Calabuig. "Sperm Metabolomics through Nuclear Magnetic Resonance Spectroscopy." Animals 11, no. 6 (June 3, 2021): 1669. http://dx.doi.org/10.3390/ani11061669.

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This report reviews current knowledge of sperm metabolomics analysis using proton nuclear magnetic resonance spectroscopy (1 H-NMR) with particular emphasis on human and farm animals. First, we present the benefits of NMR over other techniques to identify sperm metabolites and then describe the specific methodology required for NMR sperm analysis, stressing the importance of analyzing metabolites extracted from both the hydrophilic and lipophilic phases. This is followed by a description of advances produced to date in the use of NMR to diagnose infertility in humans and to identify metabolic differences among the sperm of mammalian herbivore, carnivore, and omnivore species. This last application of NMR mainly seeks to explore the possible use of lipids to fuel sperm physiology, contrary to previous theories that glycolysis and oxidative phosphorylation (OXPHOS) are the only sources of sperm energy. This review describes the use of NMR to identify sperm and seminal plasma metabolites as possible indicators of semen quality, and to examine the metabolites needed to maintain sperm motility, induce their capacitation, and consequently, to predict animal fertility.
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Capati, Ana, Omkar B. Ijare, and Tedros Bezabeh. "Diagnostic Applications of Nuclear Magnetic Resonance–Based Urinary Metabolomics." Magnetic Resonance Insights 10 (January 1, 2017): 1178623X1769434. http://dx.doi.org/10.1177/1178623x17694346.

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Metabolomics is a rapidly growing field with potential applications in various disciplines. In particular, metabolomics has received special attention in the discovery of biomarkers and diagnostics. This is largely due to the fact that metabolomics provides critical information related to the downstream products of many cellular and metabolic processes which could provide a snapshot of the health/disease status of a particular tissue or organ. Many of these cellular products eventually find their way to urine; hence, analysis of urine via metabolomics has the potential to yield useful diagnostic and prognostic information. Although there are a number of analytical platforms that can be used for this purpose, this review article will focus on nuclear magnetic resonance–based metabolomics. Furthermore, although there have been many studies addressing different diseases and metabolic disorders, the focus of this review article will be in the following specific applications: urinary tract infection, kidney transplant rejection, diabetes, some types of cancer, and inborn errors of metabolism. A number of methodological considerations that need to be taken into account for the development of a clinically useful optimal test are discussed briefly.
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Mayboroda, Oleg A., and Ekaterina Nevedomskaya. "On nuclear magnetic resonance, metabolomics and "metabolic individuality"." Vestnik Тomskogo gosudarstvennogo universiteta. Khimiya, no. 1 (September 1, 2015): 61–64. http://dx.doi.org/10.17223/24135542/1/9.

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Shin, Min-Ji, Tarmo Veskioja, Tiina Titma, and Ago Samoson. "Kemeny–Snell Distance in Nuclear Magnetic Resonance Metabolomics." Applied Magnetic Resonance 51, no. 12 (October 17, 2020): 1637–45. http://dx.doi.org/10.1007/s00723-020-01282-2.

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Paris, Debora, Mauro Maniscalco, and Andrea Motta. "Nuclear magnetic resonance-based metabolomics in respiratory medicine." European Respiratory Journal 52, no. 4 (August 16, 2018): 1801107. http://dx.doi.org/10.1183/13993003.01107-2018.

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Weng, JianXiang, Isabella H. Muti, Anya B. Zhong, Pia Kivisäkk, Bradley T. Hyman, Steven E. Arnold, and Leo L. Cheng. "A Nuclear Magnetic Resonance Spectroscopy Method in Characterization of Blood Metabolomics for Alzheimer’s Disease." Metabolites 12, no. 2 (February 15, 2022): 181. http://dx.doi.org/10.3390/metabo12020181.

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There is currently a crucial need for improved diagnostic techniques and targeted treatment methods for Alzheimer’s disease (AD), a disease which impacts millions of elderly individuals each year. Metabolomic analysis has been proposed as a potential methodology to better investigate and understand the progression of this disease. In this report, we present our AD metabolomics results measured with high resolution magic angle spinning (HRMAS) nuclear magnetic resonance (NMR) on human blood plasma samples obtained from AD and non-AD subjects. Our study centers on developments of AD and non-AD metabolomics differentiating models with procedures of quality assurance (QA) and quality control (QC) through pooled samples. Our findings suggest that analysis of blood plasma samples using HRMAS NMR has the potential to differentiate between diseased and healthy subjects, which has important clinical implications for future improvements in AD diagnosis methodologies.
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Brennan, Lorraine. "Metabolomics in nutrition research–a powerful window into nutritional metabolism." Essays in Biochemistry 60, no. 5 (December 15, 2016): 451–58. http://dx.doi.org/10.1042/ebc20160029.

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Metabolomics is the study of small molecules present in biological samples. In recent years it has become evident that such small molecules, called metabolites, play a key role in the development of disease states. Furthermore, metabolomic applications can reveal information about alterations in certain metabolic pathways under different conditions. Data acquisition in metabolomics is usually performed using nuclear magnetic resonance (NMR)-based approaches or mass spectrometry (MS)-based approaches with a more recent trend including the application of multiple platforms in order to maximise the coverage in terms of metabolites measured. The application of metabolomics is rapidly increasing and the present review will highlight applications in nutrition research.
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Lin, Yanqin, Qing Zeng, Liangjie Lin, and Zhong Chen. "High Resolution Nuclear Magnetic Resonance Spectroscopy on Biological Tissue and Metabolomics." Current Medicinal Chemistry 26, no. 12 (July 1, 2019): 2190–207. http://dx.doi.org/10.2174/0929867326666190312130155.

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High-resolution nuclear magnetic resonance (NMR) spectroscopy is a universal analytical tool. It can provide detailed information on chemical shifts, J coupling constants, multiplet patterns, and relative peak areas. It plays an important role in the fields of chemistry, biology, medicine, and pharmacy. A highly homogeneous magnetic field is a prerequisite for excellent spectral resolution. However, in some cases, such as in vivo and ex vivo biological tissues, the magnetic field inhomogeneity due to magnetic susceptibility variation in samples is unavoidable and hard to eliminate by conventional methods. The techniques based on intermolecular multiple quantum coherences and conventional single quantum coherence can remove the influence of the field inhomogeneity effects and be applied to obtain highresolution NMR spectra of biological tissues, including in vivo animal and human tissues. Broadband 1H homo-decoupled NMR spectroscopy displays J coupled resonances as collapsed singlets, resulting in highly resolved spectra. It can be used to acquire high-resolution spectra of some pharmaceuticals. The J-difference edited spectra can be used to detect J coupled metabolites, such as γ-aminobutyric acid, the detection of which is interfered by intense neighboring peaks. High-resolution 1H NMR spectroscopy has been widely utilized for the identification and characterization of biological fluids, constituting an important tool in drug discovery, drug development, and disease diagnosis.
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Wishart, David S., Leo L. Cheng, Valérie Copié, Arthur S. Edison, Hamid R. Eghbalnia, Jeffrey C. Hoch, Goncalo J. Gouveia, et al. "NMR and Metabolomics—A Roadmap for the Future." Metabolites 12, no. 8 (July 23, 2022): 678. http://dx.doi.org/10.3390/metabo12080678.

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Metabolomics investigates global metabolic alterations associated with chemical, biological, physiological, or pathological processes. These metabolic changes are measured with various analytical platforms including liquid chromatography-mass spectrometry (LC-MS), gas chromatography-mass spectrometry (GC-MS) and nuclear magnetic resonance spectroscopy (NMR). While LC-MS methods are becoming increasingly popular in the field of metabolomics (accounting for more than 70% of published metabolomics studies to date), there are considerable benefits and advantages to NMR-based methods for metabolomic studies. In fact, according to PubMed, more than 926 papers on NMR-based metabolomics were published in 2021—the most ever published in a given year. This suggests that NMR-based metabolomics continues to grow and has plenty to offer to the scientific community. This perspective outlines the growing applications of NMR in metabolomics, highlights several recent advances in NMR technologies for metabolomics, and provides a roadmap for future advancements.
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Ge, Yanhui, Xiaojia Chen, Dejan Gođevac, Paula C. P. Bueno, Luis F. Salomé Abarca, Young Pyo Jang, Mei Wang, and Young Hae Choi. "Metabolic Profiling of Saponin-Rich Ophiopogon japonicus Roots Based on 1H NMR and HPTLC Platforms." Planta Medica 85, no. 11/12 (June 17, 2019): 917–24. http://dx.doi.org/10.1055/a-0947-5797.

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AbstractIdeally, metabolomics should deal with all the metabolites that are found within cells and biological systems. The most common technologies for metabolomics include mass spectrometry, and in most cases, hyphenated to chromatographic separations (liquid chromatography- or gas chromatography-mass spectrometry) and nuclear magnetic resonance spectroscopy. However, limitations such as low sensitivity and highly congested spectra in nuclear magnetic resonance spectroscopy and relatively low signal reproducibility in mass spectrometry impede the progression of these techniques from being universal metabolomics tools. These disadvantages are more notorious in studies of certain plant secondary metabolites, such as saponins, which are difficult to analyse, but have a great biological importance in organisms. In this study, high-performance thin-layer chromatography was used as a supplementary tool for metabolomics. A method consisting of coupling 1H nuclear magnetic resonance spectroscopy and high-performance thin-layer chromatography was applied to distinguish between Ophiopogon japonicus roots that were collected from two growth locations and were of different ages. The results allowed the root samples from the two growth locations to be clearly distinguished. The difficulties encountered in the identification of the marker compounds by 1H nuclear magnetic resonance spectroscopy was overcome using high-performance thin-layer chromatography to separate and isolate the compounds. The saponins, ophiojaponin C or ophiopogonin D, were found to be marker metabolites in the root samples and proved to be greatly influenced by plant growth location, but barely by age variation. The procedure used in this study is fully described with the purpose of making a valuable contribution to the quality control of saponin-rich herbal drugs using high-performance thin-layer chromatography as a supplementary analytical tool for metabolomics research.
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Dissertations / Theses on the topic "Metabolomics, Nuclear Magnetic Resonance"

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Chong, Geokmei. "Nuclear magnetic resonance spectroscopy based metabolomics of breast cancer in hypoxia." Thesis, University of Birmingham, 2015. http://etheses.bham.ac.uk//id/eprint/6198/.

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Hypoxia has emerged as a crucial part of the aetiology of tumours. It is a negative prognostic factor which is associated to chemoresistance, invasiveness and metastasis. There is a strong association between hypoxia and metabolic transformation in breast cancer due to the alterations of multiple metabolic pathways. However, the current understanding of the nature of metabolic alterations in hypoxia is insufficient. This thesis uses NMR as a tool to investigate both the static metabolome by measuring metabolite concentrations, as well as to determine \(^1\)\(^3\)C metabolic fluxes using stable isotope tracers to reveal metabolic pathway alterations by hypoxia in vitro and by tumour growth in vivo. Firstly, we developed the \(^1\)\(^3\)C isotopomer distribution (CID) analysis to quantify metabolic fluxes by following the evolution of specific isotopomers of specific pathways of interests. MCF7 breast cancer cells were analysed in hypoxia using an integrated approach using gene expression, steady-state metabolite levels and \(^1\)\(^3\)C metabolic flux analysis to pinpoint hypoxia induced metabolic alterations. These most significant alterations were an up-regulation of the pentose phosphate pathway and a down-regulation of mitochondrial oxidative metabolism by lowering the PDH flux. The latter was partially compensated by carbon entry into the mitochondria by increasing flux through pyruvate carboxylase (PC). Further attention was focused towards identifying the shifts in metabolic activity in PC altered cells using [1,2-\(^1\)\(^3\)C]glucose and [3-\(^1\)\(^3\)C]glutamine as precursor nutrients correlated to cellular transformation potential accessed by cell viability. Finally, the \(^1\)\(^3\)C labelled glucose strategy was applied to a cancer model in mice model by infusing mice with [1,2-\(^1\)\(^3\)C]glucose. \(^1\)\(^3\)C glucose administration protocol was optimised in order to enable an investigation of \(^1\)\(^3\)C metabolic fluxes in tumour tissue to identify metabolic pathway differences between earlier stage and advanced stage of mammary gland tumours. In conclusion, an NMR based metabolomics analysis is suitable for discovering metabolic pathway alterations using both in vitro and in vivo models.
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Duong, Viêt Dung. "Development of numerical approaches for nuclear magnetic resonance data analysis." Thesis, Lyon, 2017. http://www.theses.fr/2017LYSEN010/document.

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La résonance magnétique nucléaire (RMN) est devenue une des techniques spectroscopiques les plus puissantes et polyvalentes de la chimie analytique avec des applications multiples dans des différents domaines de la recherche. Cependant, un des inconvénients majeurs de la RMN est le processus fastidieux d'analyse de donnée qui nécessite fréquemment des interventions humaines. Ces dernières font diminuer non seulement l'efficacité et l'objectivité des études mais également renferment les champs d'applications potentielles de la RMN pour les non-initiés. Par conséquent, le développement des méthodes computationnelles non supervisées se trouve nécessaire. Les travaux réalisés ici représentent des nouvelles approches dans le domaine de la métabolomique et de la biologie structurelle. Le défi ultime de la RMN métabolomique est l'identification complète de l'ensemble des molécules constituant les échantillons biologiques complexes. Cette étape est vitale pour toute interprétation biologique. Dans la première partie de cette thèse, une nouvelle méthode numérique a été développée pour analyser des spectres à deux dimensions HSQC et TOCSY afin d'identifier les métabolites. La performance de cette nouvelle méthode a été démontrée avec succès sur les données synthétiques et expérimentales. La RMN est une des principales techniques analytiques de la biologie structurale. Le processus conventionnel de détermination structurelle est bien établie avec souvent une attribution explicite des signaux. Dans la seconde partie de cette thèse, une nouvelle approche computationnelle est présentée. Cette nouvelle méthode permet de déterminer les structures RMN sans attributions explicites des signaux. Ces derniers proviennent de données spectrales tridimensionnelles TOCSY et NOESY. Les structures ont été résolues en appliquant cette nouvelle méthode aux données spectrales d'une protéine de 12kDa
Nuclear Magnetic Resonance (NMR) has become one of the most powerful and versatile spectroscopic techniques in analytical chemistry with applications in many disciplines of scientific research. A downside of NMR is however the laborious data analysis workflow that involves many manual interventions. Interactive data analysis impedes not only on efficiency and objectivity, but also keeps many NMR application fields closed for non-experts. Thus, there is a high demand for the development of unsupervised computational methods. This thesis introduces such unattended approaches in the fields of metabonomics and structural biology. A foremost challenge to NMR metabolomics is the identification of all molecules present in complex metabolite mixtures that is vital for the subsequent biological interpretation. In this first part of the thesis, a novel numerical method is proposed for the analysis of two-dimensional HSQC and TOCSY spectra that yields automated metabolite identification. Proof-of principle was successfully obtained by evaluating performance characteristics on synthetic data, and on real-world applications of human urine samples, exhibiting high data complexity. NMR is one of the leading experimental techniques in structural biology. However the conventional process of structure elucidation is quite elaborated. In this second part of the thesis, a novel computational approach is presented to solve the problem of NMR structure determination without explicit resonance assignment based on three-dimensional TOCSY and NOESY spectra. Proof-of principle was successfully obtained by applying the method to an experimental data set of a 12-kilodalton medium- sized protein
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Anderson, Paul Edward. "ALGORITHMIC TECHNIQUES EMPLOYED IN THE QUANTIFICATION AND CHARACTERIZATION OF NUCLEAR MAGNETIC RESONANCE SPECTROSCOPIC DATA." Wright State University / OhioLINK, 2010. http://rave.ohiolink.edu/etdc/view?acc_num=wright1278692001.

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Samino, Gené Sara. "Mass spectrometry and nuclear magnetic resonance based metabolomics applied to the study of polycystic ovary syndrome." Doctoral thesis, Universitat Rovira i Virgili, 2013. http://hdl.handle.net/10803/128209.

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Objectives: Three objectives of this thesis have been: (i) Mastering of the main analytical platforms used in metabolomics, (ii) Developing an untargeted metabolomic workflow, involving novel aspects of sample preparation, and data processing for metabolite identification, (iii) Implementing our untargeted metabolomic workflow to the study of human patients with Polycystic Ovary Syndrome (PCOS) and their response to drug treatment Results: In Work 1: Optimization metabolite extraction conditions for NMR analysis, followed by LC/ESI-MS by using the same sample extract with no need for solvent exchange or further pretreatment. In Work 2: Investigate the impact of different aspects of univariate statistical analysis on untargeted LC-MS based metabolomic experiments. In Work 3: Implementation of GC-MS untargeted metabolomic approach to provide new insights on the impact that obesity exerts on the metabolic derangements associated with PCOS. In Work 4: Implementation of multiplatform metabolomics approach based on NMR and LC-MS to provide new insights in PCOS disease in a cohort of young lean PCOS patients. In Work 5: Implementation of multiplatform metabolomics approach based on NMR, GC-MS and LC-MS to provide new insights on the action of drug polytherapy to PCOS disorder. Conclusion: Metabolomics can be consider as a powerful tool for the study of metabolic disorders. Furthermore, metabolite profiling has demonstrated feasibility and flexibility for revealing new mechanistic insights in metabolic disorders that are not been consider when classical analysis is used. Therefore, our metabolomic analysis have demonstrated a great potential as a useful diagnostic technique and can facilitate monitoring of both disease progression and effects of therapeutic treatment.
Objetivos: El presente trabajo tiene dos objetivos generalizables que han sido estudiados con más detalle en la presente tesis doctoral. El primero de ellos es mejorar aspectos metodológicos en el ámbito de la metabolómica y el segundo ha sido la aplicación de la metabolómica en el estudio del síndrome del ovario poliquístico (PCOS). Resultados: Del primer objetivo se han realizado dos trabajos: en el primero, la optimización de un método de extracción común para analizar muestras biológicas en dos plataformas analíticas complementarias utilizadas en metabolómica como son la resonancia magnética nuclear y la espectrometría de masas. Del segundo trabajo realizado se han obtenido unas pautas para abordar los retos que surgen del análisis de datos de metabolómica en espectrometría de masas. Del segundo objetivo también han sido realizados dos trabajos: en ambos se ha utilizado la metabolómica no dirigida para abordar el estudio del PCOS. En el primer trabajo, se ha utilizado la metabolómica para conocer el impacto que ejerce la obesidad en los trastornos metabólicos asociados al PCOS. En el segundo trabajo, se ha utilizado la metabolómica no dirigida para evaluar como afecta la aplicación de una politerapia con medicamentos al metabolismo de pacientes con PCOS. Conclusión: La metabolómica puede ser utilizada como una nueva herramienta para estudiar los trastornos metabólicos.
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Showiheen, Salah Ali A. "Metabolomics profiling of amino acids metabolism in osteoarthritis." Thesis, Queensland University of Technology, 2018. https://eprints.qut.edu.au/123249/1/Salah%20Ali%20A_Showiheen_Thesis.pdf.

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The researcher studied the role of amino acid metabolism in osteoarthritis progression. The study suggests that this abnormal amino acid metabolism aids in the development of the disease. This data further suggests that amino acids could be potential circulatory markers for diagnosing OA and therapeutic strategies of amino acids supplementation could be considered as a potential treatment.
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Xie, Mouzhe. "Probing and Modeling Biomolecule-Nanoparticle Interactions by Solution Nuclear Magnetic Resonance Spectroscopy." The Ohio State University, 2018. http://rave.ohiolink.edu/etdc/view?acc_num=osu1532049249287026.

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Postigo, Matheus Pereira. "Uso de ressonância magnética nuclear na análise metabolômica de biofluidos de animais tratados com ivermectina." Universidade de São Paulo, 2012. http://www.teses.usp.br/teses/disponiveis/75/75135/tde-24072012-164610/.

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A pesquisa bioquímica no campo da Metabolômica/Metabonômica tem se intensificado consideravelmente nos últimos anos, por sua capacidade de adquirir uma grande quantidade de informação a respeito do comportamento de um organismo através de seu metabolismo. Para isso, frequentemente faz uso da aplicação das mais diversas técnicas analíticas, como a Ressonância Magnética Nuclear. A Ivermectina é um fármaco de amplo uso no Brasil, dada a sua eficiência no controle de verminoses e pragas em gado (e humanos) e está aqui inserida no contexto metabolômico/metabonômico dadas as inúmeras violações ocorridas na carne brasileira exportada. A não observância dos períodos adequados de carência para abate dos animais tratados pode refletir seriamente na qualidade destes produtos. Assim, utilizou-se a Ivermectina como forma de provocar mudanças no metabolismo de bovinos e camundongos, procurando-se correlacionar as variações encontradas à dose aplicada. Através de ferramentas auxiliares, como RMN-2D e ferramentas quimiométricas exploratórias, fez-se a avaliação de amostras de plasma sanguíneo e urina bovinos, e plasma sanguíneo de camundongos Balb-C, após administração de Ivermectina. Os resultados obtidos mostram que a Ivermectina tem influência no balanço energético do organismo, interferindo nos níveis de lactato e β-hidróxibutirato, podendo estar ligada ao aparecimento de uma condição metabólica crítica em mamíferos, relacionada à alta concentração de corpos cetônicos na corrente sanguínea dos mesmos.
The biochemical research in the field of Metabolomics/ Metabonomics has grown considerably in recent years because its capability of acquiring a large amount of information about the behavior of an organism through its metabolism. For this, it often applies several analytical techniques such as Nuclear Magnetic Resonance. Ivermectin is a drug widely used in Brazil, for its effectiveness in controlling verminosis and pests in livestock (and humans) and is here inserted in the metabolomic/metabonomic context because of the numerous breaches occurred in brazilian beef exports. Failures to comply with the appropriate withdrawal periods for slaughtering treated animals may reflect seriously on the quality of these products. Thus, we used Ivermectin as a metabolism change inducer in cattle and mice, trying to correlate these variations to the applied dose. Through auxiliary tools such as 2D-NMR and chemometric exploratory tools, we evaluated samples of bovine blood plasma and urine, and blood plasma of Balb-C mice, after Ivermectin administration. The results show that Ivermectin has influence on the organism\'s energy balance, interfering with lactate and β-hydroxybutyrate which can be connected to the onset of a critical metabolic condition in mammals, related to the high concentration of ketone bodies in their blood stream.
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Davenport, Peter William. "A metabolomics-based analysis of acyl-homoserine lactone quorum sensing in Pseudomonas aeruginosa." Thesis, University of Cambridge, 2018. https://www.repository.cam.ac.uk/handle/1810/274674.

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Pseudomonas aeruginosa is a metabolically versatile environmental bacterium that grows in extremely diverse habitats—from sea water to jet fuel—and is able to infect a large variety of organisms. It is a significant cause of human disease and is one of the most frequent healthcare-associated infections. P. aeruginosa uses a sophisticated gene regulatory network to adapt its growth strategy to these diverse environmental niches and the fluctuating conditions it encounters therein. The las and rhl “quorum sensing” (QS) intercellular communication systems play integral roles in this regulatory network and control the expression of factors important to the bacterium’s ecological fitness, including many secreted factors involved in nutrient acquisition, microbial competition, and virulence. These QS systems use diffusible acyl-homoserine lactone (AHL) signalling molecules to infer environmental parameters, including bacterial population density, and to coordinate behaviour across bacterial communities. This dissertation describes an investigation into the relationship between QS and small molecule primary metabolism, using metabolomic methods based on nuclear magnetic resonance spectroscopy and mass spectrometry. Analysis of extracellular metabolic profiles (the bacteria’s “metabolic footprint”) established that QS can modulate the uptake and excretion of primary metabolites and that this effect was strongest during the transition from exponential to stationary phase cell growth. Analysis of the cellular metabolome and proteome demonstrated that QS affected most major branches of primary metabolism, notably central carbon metabolism, amino acid metabolism and fatty acid metabolism. These data indicate that QS repressed acetogenesis and the oxidative C02-evolving portion of the TCA cycle, while inducing the glyoxylate bypass and arginine fermentation. QS also induced changes to fatty acid pools associated with lower membrane fluidity and higher chemical stability. Elevated levels of stress-associated polyamines were detected in QS mutants, which may be a consequence of a lack of QS-dependent adaptations. These findings suggest that wild-type QS directs metabolic adaptations to stationary phase stressors, including oxidative stress. Previous work, including several transcriptomic studies, has suggested that QS can play a role in primary metabolism. However, there has been no previous study of the global impact of AHL QS on the metabolome of P. aeruginosa. Research presented here demonstrates that QS induces a global readjustment in the primary metabolism and provides insight into QS- dependent metabolic changes during stationary-phase adaptation.
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Saborano, Raquel Teixeira. "Metabolomic study of cellular responses to silk nanoparticles." Master's thesis, Universidade de Aveiro, 2015. http://hdl.handle.net/10773/15306.

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Mestrado em Bioquímica - Bioquímica Clínica
The use of metabolomics to reveal response markers of efficacy or toxicity, as well as to provide biochemical insight into mechanisms of action has gained increasing interest in the research community. In this work, the effects of silk nanoparticles on the metabolism of macrophages, which are an important cell type in regard to NP uptake, was addressed through Nuclear Magnetic Resonance (NMR) spectroscopy metabolomics. Firstly, 1D and 2D NMR spectroscopy was applied to determine the metabolic composition of murine macrophages (RAW 264.7 cell line), through the analysis of both aqueous and lipid extracts. Almost forty metabolites were identified, establishing a database of metabolites of murine macrophages. Afterwards, murine macrophages were exposed to two concentrations of silk nanoparticles (10 and 500 μg/mL), selected based on cytotoxicity data collected previously to this work, and the impact on their metabolic composition was assessed. Multivariate analysis was applied to the 1D 1H NMR spectra in order to search the compositional changes in macrophages during silk nanoparticles’ (SNPs) exposure. It was found that the low concentration SNPs induced few changes in the cells metabolome compared to the high concentration SNPs, which resulted in biochemical changes related to energy metabolism and TCA cycle, disturbance of amino acids metabolism and cell membrane modification. Some variations were common to all exposure periods, such as the increase in branched chain amino acids, lactate and tyrosine and the decrease in glutamine, taurine, myo-inositol and ATP/ADP, whereas other variations seemed to be more time-specific. The time-dependent fluctuations were also visible in lipids, where cholesterol, cholesterol esters and sphingomyelin were found to be relatively higher in SNP-exposed samples, while unsaturated fatty acids, plasmalogen and phosphatidylcholine were higher in controls. These results have shown that the use of NMR metabolomics to evaluate a nanomedicine performance may be a powerful tool to improve our understanding of cell-nanomaterial interactions and of the mechanisms underlying observed toxicities.
A aplicação da metabolómica com o intuito de revelar biomarcadores de eficácia ou toxicidade, assim como de fornecer uma compreensão bioquímica de mecanismos de ação, tem ganho maior interesse na comunidade científica. Neste trabalho os efeitos das nanopartículas de seda no metabolismo de macrófagos, que são um tipo celular importante no que diz respeito à incorporação de nanopartículas, foram investigados por metabolómica de espectroscopia de Ressonância Magnética Nuclear (RMN). Inicialmente, espectroscopia de RMN 1D e 2D foi aplicada para determinar a composição metabólica de macrófagos de rato (linha celular RAW 264.7), através da análise de extratos aquosos e lipídicos. Cerca de quarenta metabolitos foram identificados, estabelecendo uma base de dados dos metabolitos de macrófagos de rato. De seguida, esses macrófagos foram expostos a duas concentrações de nanopartículas de seda (10 e 500 μg/mL), selecionadas com base nos dados citotoxicológicos recolhidos previamente a este trabalho, e o seu impacto no metabolismo foi averiguado usando a mesma metodologia. Análise multivariada foi aplicada aos espectros de 1H RMN 1D de forma a investigar as alterações na composição dos macrófagos durante a exposição às nanopartículas de seda (SNPs). A concentração baixa de SNPs induziu poucas alterações no metaboloma celular comparativamente à concentração alta de SNPs, que resultou em alterações bioquímicas no metabolismo energético e ciclo do ácido cítrico, distúrbios no metabolismo de aminoácidos e modificações na membrana celular. Algumas variações foram comuns a todos os períodos de exposição, tais como o aumento dos aminoácidos de cadeia ramificada, lactato e tirosina, e a diminuição de glutamina, taurina, myo-inositol e ATP/ADP, enquanto que outras se revelaram ser mais específicas em relação ao tempo de exposição. As flutuações dependentes do tempo foram também visíveis nos lípidos, onde o colesterol, ésteres de colesterol e esfingomielina se encontraram mais elevados nas amostras expostas à concentração elevada de SNPs, enquanto que os ácidos gordos insaturados, plasmalogénio e fosfatidilcolina estavam mais elevados nos controlos. Estes resultados demonstraram que a aplicação de metabolómica de RMN para avaliar o desempenho de nanofármacos pode ser uma ferramenta importante para melhorar a nossa compreensão das interações célula-nanomaterial e os mecanismos subjacentes à toxicidade observada.
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Mili, Manhal. "Metabolomics Investigation of Cancer Cells by High Field NMR." Thesis, Lyon, 2019. http://www.theses.fr/2019LYSEN078.

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La métabolomique a acquis au cours des dernières années une place privilégiée en oncologie et en recherche sur la biologie du cancer. La métabolomique cellulaire offre un grand potentiel pour élargir notre champs de connaissance sur les mécanismes du développement tumoral et sur les aspects fondamentaux de la biologie du cancer. Nous avons utilisé l’approche métabolomique par résonance magnétique nucléaire (RMN) pour caractériser les profils métaboliques de lignées cellulaires de cancer suite à leur exposition à des facteurs influençant leur réponse aux traitements. Premièrement, nous avons développé une méthodologie rigoureuse, rapide et ergonomique d’extraction des métabolites pour l’analyse métabolomique à partir de cultures cellulaires adhérentes mammifères. Par la suite, l’approche métabolomique a été utilisée pour étudier l’effet des adipocytes, constituants du microenvironnement tumoral, sur les exo- et endo-métabolomes des cellules cancéreuses HER2-positif. Il a été auparavant démontré que les adipocytes agissent sur les cellules cancéreuses HER2-positif en co-culture par l’intermédiaire de leurs facteurs sécrétés en induisant une résistance aux thérapies ciblées. L’ajout d’un stimulateur de lipolyse (isoprénaline, agoniste des récepteurs adrénergiques) au système de co-culture induit une résistance aux thérapies ciblées au moins aussi importante qu’en présence d’adipocytes seuls. Au contraire, l’ajout du propranolol (β-bloquant non sélectif) permet de retrouver la sensibilité de cellules cancéreuses aux thérapies ciblées. L’analyse métabolomique permet d’élucider les aspects mécanistiques mises en jeu lors de cette interaction en étudiant ses conséquences sur les profils métaboliques des cellules cancéreuses. L’analyse quantitative des métabolites présents dans les surnageants de culture montre une forte altération du métabolisme des cellules cancéreuses HER2-positif incubées en milieu conditionné d’adipocytes. Les cellules cancéreuses ne dépendent plus de la glycolyse aérobie mais privilégient l’utilisation d’autres carburants tels que le lactate et le glycérol. L’étude pharmaco-métabolomique des adipocytes et des cellules cancéreuses HER2-positif en présence de modulateurs de lipolyse confirme ces résultats et permet d’observer les changements métaboliques au niveau intracellulaire. Un dernier axe de ce travail porte sur l’étude des profils métaboliques des cellules du cancer de côlon suite à la déplétion de la machinerie AIF/CHCHD4. Les déficits du métabolisme mitochondrial oxydatif sont associées à de nombreuses maladies. Bien qu’une discrimination robuste n’ait pu être observée entre les groupes contrôle et déplété CHCHD4, nous avons identifié un nombre de variables confondantes dont le contrôle est nécessaire pour des études avancées sur le métabolisme oxydatif des cellules cancéreuses avec déplétion de CHCHD4
Metabolomics has become an established tool for oncology and cancer biology research studies. Cell metabolomics is a rapidly growing field that addresses fundamental aspects of cancer biology and provides mechanistic insights into disease development, progression and response to therapies. We developed and applied cell metabolomics approaches by liquid nuclear magnetic resonance (NMR) at very high fields to study the effect of different factors on cancer cells metabolic profiles and ultimately their response to therapy. First we developed a fast, rigorous and ergonomic extraction protocol of adherent mammalian cells for NMR-based metabolomics studies. Then we investigated the effect of adipocytes on HER2-positive cancer cells exo- and endometabolomes. Adipocytes were previously shown to act on HER2-positive cells to decrease their sensitivity to targeted therapy in co-culture. Addition of a lipolysis stimulator (isoprenaline, a β-adrenoreceptor agonist) to the system led to resistance of HER2-positive cells to targeted therapy at least as strong as in the case of adipocytes alone. Conversely, addition of a lipolysis inhibitor (non-selective β-blocker propranolol) rescued the response to therapy. Investigation of supernatants of HER2-positive cells cultures exposed to conditioned media from adipocytes showed strong metabolic alterations in cancer cells exometabolomes. Quantitative analysis of HER2-positive cell footprints shows that tumor cells switched their metabolism from aerobic glycolysis to scavenging various metabolites such as lactate and glycerol. A pharmaco-metabolomic investigation of adipocytes and HER2-positive cancer cells co-cultures and associated controls, conducted with or without addition of propranolol and isoprenaline, confirmed the observed metabolic shift. It revealed changes occurring in adipocytes and HER2-positive cancer cells following exposition to lipolysis modulators. Overall, this metabolomics investigation provides new insights into the mechanisms by which pharmacological modulation of lipolysis via β-adrenoreceptors impact on HER2-positive cancer cell metabolism. Finally, we studied the effect of the knockdown of AIF/CHCHD4 import machinery on colon cancer cells. Defects in oxidative energy metabolism is linked to several mitochondrial diseases that remain poorly understood. While no robust discrimination between control and CHCHD4 knockdown groups was observed, we identified a number of confounding factors that may be controlled for further investigation of oxidative energy metabolism in CHCHD4 knocked down cells
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Books on the topic "Metabolomics, Nuclear Magnetic Resonance"

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NMR metabolomics in cancer research. Oxford: Woodhead Publishing, 2013.

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G, Shulman R., and Rothman D. L, eds. Metabolomics by in vivo NMR. Chichester, West Sussex: John Wiley & Sons, 2005.

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Bjerrum, Jacob T. Metabonomics: Methods and protocols. New York: Humana Press, 2015.

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A, Webb G., and Royal Society of Chemistry, eds. Nuclear magnetic resonance. London: Royal Society of Chemistry, 1997.

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Webb, G. A. Nuclear magnetic resonance. Edited by Royal Society of Chemistry (Great Britain). Cambridge: Royal Society of Chemistry, 2008.

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Webb, G. A., ed. Nuclear Magnetic Resonance. Cambridge: Royal Society of Chemistry, 2008. http://dx.doi.org/10.1039/9781847558473.

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Webb, G. A., ed. Nuclear Magnetic Resonance. Cambridge: Royal Society of Chemistry, 2007. http://dx.doi.org/10.1039/9781847558480.

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Webb, G. A., ed. Nuclear Magnetic Resonance. Cambridge: Royal Society of Chemistry, 2009. http://dx.doi.org/10.1039/9781847551023.

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Wojcik, Jacek, and Krystyna Kamienska-Trela, eds. Nuclear Magnetic Resonance. Cambridge: Royal Society of Chemistry, 2013. http://dx.doi.org/10.1039/9781849737678.

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Kamienska-Trela, Krystyna, and Jacek Wojcik, eds. Nuclear Magnetic Resonance. Cambridge: Royal Society of Chemistry, 2014. http://dx.doi.org/10.1039/9781849738125.

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Book chapters on the topic "Metabolomics, Nuclear Magnetic Resonance"

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Ott, Karl-Heinz, and Nelly Aranibar. "Nuclear Magnetic Resonance Metabonomics." In Metabolomics, 247–71. Totowa, NJ: Humana Press, 2007. http://dx.doi.org/10.1007/978-1-59745-244-1_14.

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Hao, Fu-Hua, Wen-Xin Xu, and Yulan Wang. "Nuclear Magnetic Resonance Techniques." In Plant Metabolomics, 63–104. Dordrecht: Springer Netherlands, 2014. http://dx.doi.org/10.1007/978-94-017-9291-2_4.

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Vinaixa, Maria, Naomi Rankin, Jeremy Everett, and Reza Salek. "Nuclear Magnetic Resonance Spectroscopy Data Processing." In Metabolomics, 101–28. Boca Raton, Florida : CRC Press, [2019]: Chapman and Hall/CRC, 2019. http://dx.doi.org/10.1201/9781315370583-5.

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Capitani, Donatella, Anatoly P. Sobolev, and Luisa Mannina. "Nuclear Magnetic Resonance - Metabolomics." In Food Authentication, 177–97. Chichester, UK: John Wiley & Sons, Ltd, 2017. http://dx.doi.org/10.1002/9781118810224.ch6.

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Keun, Hector C., and Toby J. Athersuch. "Nuclear Magnetic Resonance (NMR)-Based Metabolomics." In Methods in Molecular Biology, 321–34. Totowa, NJ: Humana Press, 2010. http://dx.doi.org/10.1007/978-1-61737-985-7_19.

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Viant, Mark R. "Revealing the Metabolome of Animal Tissues Using 1H Nuclear Magnetic Resonance Spectroscopy." In Metabolomics, 229–46. Totowa, NJ: Humana Press, 2007. http://dx.doi.org/10.1007/978-1-59745-244-1_13.

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van der Sar, Sonia, Hye Kyong Kim, Axel Meissner, Robert Verpoorte, and Young Hae Choi. "Nuclear Magnetic Resonance Spectroscopy for Plant Metabolite Profiling." In The Handbook of Plant Metabolomics, 57–76. Weinheim, Germany: Wiley-VCH Verlag GmbH & Co. KGaA, 2013. http://dx.doi.org/10.1002/9783527669882.ch3.

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Gulati, Khushboo, Sharanya Sarkar, and Krishna Mohan Poluri. "Metabolomics Analysis of Complex Biological Specimens Using Nuclear Magnetic Resonance Spectroscopy." In Neuromethods, 155–71. New York, NY: Springer US, 2020. http://dx.doi.org/10.1007/978-1-0716-0864-7_13.

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Kim, Hye Kyong, Young Hae Choi, and Robert Verpoorte. "Profiling the Jasmonic Acid Responses by Nuclear Magnetic Resonance-Based Metabolomics." In Methods in Molecular Biology, 267–75. Totowa, NJ: Humana Press, 2013. http://dx.doi.org/10.1007/978-1-62703-414-2_21.

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Chappell, Michael. "Resonance—Nuclear Magnetic Resonance." In Principles of Medical Imaging for Engineers, 39–52. Cham: Springer International Publishing, 2019. http://dx.doi.org/10.1007/978-3-030-30511-6_5.

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Conference papers on the topic "Metabolomics, Nuclear Magnetic Resonance"

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Tasic, Ljubica, and Rafael Nogueira De Souza. "Nuclear Magnetic Resonance Spectroscopy applied to metabolomics of the crack users." In XXIII Congresso de Iniciação Científica da Unicamp. Campinas - SP, Brazil: Galoá, 2015. http://dx.doi.org/10.19146/pibic-2015-38103.

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Tasic, Ljubica, and Matheus Rubinho Cruz. "Nuclear Magnetic Resonance in metabolomics of sheep infected with Corynebacterium pseudotuberculosis." In XXIII Congresso de Iniciação Científica da Unicamp. Campinas - SP, Brazil: Galoá, 2015. http://dx.doi.org/10.19146/pibic-2015-38204.

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Deng, Lingli, Haiwei Gu, Jiangjiang Zhu, Nagana Gowda, Danijel Djukovic, and Daniel Raftery. "Abstract B50: Detecting colorectal cancer and polyps using nuclear magnetic resonance spectroscopy and mass spectrometry based metabolomics." In Abstracts: AACR Special Conference: Metabolism and Cancer; June 7-10, 2015; Bellevue, WA. American Association for Cancer Research, 2016. http://dx.doi.org/10.1158/1557-3125.metca15-b50.

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NOGUEIRA DE SOUZA, RAFAEL, LJUBICA TASIC, and JOÃO GUILHERME M. PONTES. "Hydrogen-1 Nuclear Magnetic Resonance Spectroscopy applied to metabolomics of the crack users and patientis with schizophrenia." In XXIV Congresso de Iniciação Científica da UNICAMP - 2016. Campinas - SP, Brazil: Galoa, 2016. http://dx.doi.org/10.19146/pibic-2016-52128.

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Jadson Marreiro Brasil, Antonio, LJUBICA TASIC, and JOÃO GUILHEME DE MORAES PONTES. "Metabolomic study of patients with bipolar disorder through ¹H Nuclear Magnetic Resonance (NMR)." In XXIV Congresso de Iniciação Científica da UNICAMP - 2016. Campinas - SP, Brazil: Galoa, 2016. http://dx.doi.org/10.19146/pibic-2016-51387.

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Jadson Marreiro Brasil, Antonio, LJUBICA TASIC, and JOÃO GUILHEME DE MORAES PONTES. "Metabolomic study of patients with bipolar disorder through ¹H Nuclear Magnetic Resonance (¹H NMR)." In XXV Congresso de Iniciação Cientifica da Unicamp. Campinas - SP, Brazil: Galoa, 2017. http://dx.doi.org/10.19146/pibic-2017-78547.

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Nobakht M. Gh., B. Fatemeh, Rasoul Aliannejad, Salman Taheri, Mostafa Rezaei-Tavirani, Fariba Fathi, and Afsaneh Arefi Oskouie. "Serum metabolomic analysis of mustard airway diseases by nuclear magnetic resonance spectrometry: A pilot study." In Annual Congress 2015. European Respiratory Society, 2015. http://dx.doi.org/10.1183/13993003.congress-2015.pa3925.

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Selvaraj, Emmanuel, Daniel Radford-Smith, Rory Peters, Kate Lynch, Daniel Anthony, Michael Pavlides, Alessandra Geremia, Adam Bailey, Emma Culver, and Fay Probert. "O04 Serum nuclear magnetic resonance metabolomic signature can discriminate immunoglobulin G4-related sclerosing cholangitis and primary sclerosing cholangitis." In Abstracts of the British Association for the Study of the Liver Annual Meeting, 22–24 November 2021. BMJ Publishing Group Ltd and British Society of Gastroenterology, 2021. http://dx.doi.org/10.1136/gutjnl-2021-basl.4.

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Bonechi, M., C. Guarducci, G. Meoni, L. Tenori, C. Biagioni, R. Schiff, CK Osborne, et al. "Abstract P6-02-07: Metabolomic analysis by nuclear magnetic resonance spectroscopy discriminates hormone receptor positive/HER2 negative breast cancer cell lines resistant to palbociclib." In Abstracts: 2016 San Antonio Breast Cancer Symposium; December 6-10, 2016; San Antonio, Texas. American Association for Cancer Research, 2017. http://dx.doi.org/10.1158/1538-7445.sabcs16-p6-02-07.

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Mamin, John. "Nanoscale Nuclear Magnetic Resonance." In Laser Science. Washington, D.C.: OSA, 2013. http://dx.doi.org/10.1364/ls.2013.lth1g.3.

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Reports on the topic "Metabolomics, Nuclear Magnetic Resonance"

1

Marangoni, Alejandro G., and M. Fernanda Peyronel. Pulsed Nuclear Magnetic Resonance Spectrometry. AOCS, April 2014. http://dx.doi.org/10.21748/lipidlibrary.40797.

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Boudjouk, Philip. Purchase of a Nuclear Magnetic Resonance Spectrometer. Fort Belvoir, VA: Defense Technical Information Center, August 1988. http://dx.doi.org/10.21236/ada197610.

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Hammel, P. C., and Raffi Budakian. Single Nuclear Spin Magnetic Resonance Force Microscopy. Fort Belvoir, VA: Defense Technical Information Center, May 2010. http://dx.doi.org/10.21236/ada532586.

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Rosemary Knight. GEOCHEMICAL CONTROLS ON NUCLEAR MAGNETIC RESONANCE MEASUREMENTS. Office of Scientific and Technical Information (OSTI), August 2008. http://dx.doi.org/10.2172/936264.

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Knight, Rosemary, Manika Prasad, and Kristina Keating. Geochemical Controls on Nuclear Magnetic Resonance Measurements. Office of Scientific and Technical Information (OSTI), November 2003. http://dx.doi.org/10.2172/817588.

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Wang, Shuanhu. Two-dimensional nuclear magnetic resonance of quadrupolar systems. Office of Scientific and Technical Information (OSTI), September 1997. http://dx.doi.org/10.2172/6387.

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Heaney, M. B. Nuclear magnetic resonance experiments with dc SQUID amplifiers. Office of Scientific and Technical Information (OSTI), November 1990. http://dx.doi.org/10.2172/6102726.

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Cherbal, Omar, and Mustapha Maamache. Nonadiabatic Geometric Angle in Nuclear Magnetic Resonance Connection. GIQ, 2012. http://dx.doi.org/10.7546/giq-6-2005-175-182.

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Budakian, Raffi. Nanometer-Scale Force Detected Nuclear Magnetic Resonance Imaging. Fort Belvoir, VA: Defense Technical Information Center, January 2013. http://dx.doi.org/10.21236/ada591583.

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Casadei, Cecilia. Homometallic and Heterometallic Antiferromagnetic Rings: Magnetic Properties Studied by Nuclear Magnetic Resonance. Office of Scientific and Technical Information (OSTI), January 2011. http://dx.doi.org/10.2172/1048524.

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