Relevant bibliographies by topics / NMR spectroscopy of metabolites

Academic literature on the topic 'NMR spectroscopy of metabolites'

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Published: 6 September 2023

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Journal articles on the topic "NMR spectroscopy of metabolites"

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Mamone, Salvatore, Nasrollah Rezaei-Ghaleh, Felipe Opazo, Christian Griesinger, and Stefan Glöggler. "Singlet-filtered NMR spectroscopy." Science Advances 6, no. 8 (February 2020): eaaz1955. http://dx.doi.org/10.1126/sciadv.aaz1955.

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Selectively studying parts of proteins and metabolites in tissue with nuclear magnetic resonance promises new insights into molecular structures or diagnostic approaches. Nuclear spin singlet states allow the selection of signals from chemical moieties of interest in proteins or metabolites while suppressing background signal. This selection process is based on the electron-mediated coupling between two nuclear spins and their difference in resonance frequency. We introduce a generalized and versatile pulsed NMR experiment that allows populating singlet states on a broad scale of coupling patterns. This approach allowed us to filter signals from proton pairs in the Alzheimer’s disease–related b-amyloid 40 peptide and in metabolites in brain matter. In particular, for glutamine/glutamate, we have discovered a long-lived state in tissue without the typically required singlet sustaining by radiofrequency irradiation. We believe that these findings will open up new opportunities to study metabolites with a view on future in vivo applications.
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Heinzmann, Silke S., Melanie Waldenberger, Annette Peters, and Philippe Schmitt-Kopplin. "Cluster Analysis Statistical Spectroscopy for the Identification of Metabolites in 1H NMR Metabolomics." Metabolites 12, no. 10 (October 19, 2022): 992. http://dx.doi.org/10.3390/metabo12100992.

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Metabolite identification in non-targeted NMR-based metabolomics remains a challenge. While many peaks of frequently occurring metabolites are assigned, there is a high number of unknowns in high-resolution NMR spectra, hampering biological conclusions for biomarker analysis. Here, we use a cluster analysis approach to guide peak assignment via statistical correlations, which gives important information on possible structural and/or biological correlations from the NMR spectrum. Unknown peaks that cluster in close proximity to known peaks form hypotheses for their metabolite identities, thus, facilitating metabolite annotation. Subsequently, metabolite identification based on a database search, 2D NMR analysis and standard spiking is performed, whereas without a hypothesis, a full structural elucidation approach would be required. The approach allows a higher identification yield in NMR spectra, especially once pathway-related subclusters are identified.
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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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de Graaf, Robin A., and Kevin L. Behar. "Quantitative1H NMR Spectroscopy of Blood Plasma Metabolites." Analytical Chemistry 75, no. 9 (May 2003): 2100–2104. http://dx.doi.org/10.1021/ac020782+.

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Himmelreich, Uwe, Ray L. Somorjai, Brion Dolenko, Ok Cha Lee, Heide-Marie Daniel, Ronan Murray, Carolyn E. Mountford, and Tania C. Sorrell. "Rapid Identification of Candida Species by Using Nuclear Magnetic Resonance Spectroscopy and a Statistical Classification Strategy." Applied and Environmental Microbiology 69, no. 8 (August 2003): 4566–74. http://dx.doi.org/10.1128/aem.69.8.4566-4574.2003.

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ABSTRACT Nuclear magnetic resonance (NMR) spectra were acquired from suspensions of clinically important yeast species of the genus Candida to characterize the relationship between metabolite profiles and species identification. Major metabolites were identified by using two-dimensional correlation NMR spectroscopy. One-dimensional proton NMR spectra were analyzed by using a staged statistical classification strategy. Analysis of NMR spectra from 442 isolates of Candida albicans, C. glabrata, C. krusei, C. parapsilosis, and C. tropicalis resulted in rapid, accurate identification when compared with conventional and DNA-based identification. Spectral regions used for the classification of the five yeast species revealed species-specific differences in relative amounts of lipids, trehalose, polyols, and other metabolites. Isolates of C. parapsilosis and C. glabrata with unusual PCR fingerprinting patterns also generated atypical NMR spectra, suggesting the possibility of intraspecies discontinuity. We conclude that NMR spectroscopy combined with a statistical classification strategy is a rapid, nondestructive, and potentially valuable method for identification and chemotaxonomic characterization that may be broadly applicable to fungi and other microorganisms.
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Copeland, K. R., R. W. Yatscoff, and R. M. McKenna. "Immunosuppressive activity of cyclosporine metabolites compared and characterized by mass spectroscopy and nuclear magnetic resonance." Clinical Chemistry 36, no. 2 (February 1, 1990): 225–29. http://dx.doi.org/10.1093/clinchem/36.2.225.

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Abstract Eight cyclosporine (CsA) metabolites were isolated from the urine of renal-transplant patients by high-pressure liquid chromatography. Structure and purity of the metabolites were assessed by fast atomic bombardment/mass spectroscopy, by proton nuclear magnetic resonance (NMR), and, when the quantity of metabolites permitted, by 13C-NMR. The immunosuppressive activities (I) of the metabolites were tested in three separate in vitro systems: primary and secondary mixed lymphocyte reactions as well as by a mitogen-stimulated system. The I, as measured by comparing the concentration of each metabolite required for 50% inhibition of incorporation of [3H] thymidine, varied among the assay systems, as did the ranking of I among the test systems. In general, the I of most metabolites in all assay systems were less than 10% of that for CsA. Metabolites with single modifications exhibited the greatest I; e.g., that of M-17 was congruent to 16% of that of CsA (potency ratio 0.16) in a secondary mixed lymphocyte reaction. The significance of these findings in relation to therapeutic monitoring of CsA is discussed.
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Engelke, Udo F. H., Maria L. F. Liebrand-van Sambeek, Jan G. N. de Jong, Jules G. Leroy, Éva Morava, Jan A. M. Smeitink, and Ron A. Wevers. "N-Acetylated Metabolites in Urine: Proton Nuclear Magnetic Resonance Spectroscopic Study on Patients with Inborn Errors of Metabolism." Clinical Chemistry 50, no. 1 (January 1, 2004): 58–66. http://dx.doi.org/10.1373/clinchem.2003.020214.

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Abstract Background: There is no comprehensive analytical technique to analyze N-acetylated metabolites in urine. Many of these compounds are involved in inborn errors of metabolism. In the present study, we examined the potential of proton nuclear magnetic resonance (1H-NMR) spectroscopy as a tool to identify and quantify N-acetylated metabolites in urine of patients with various inborn errors of metabolism. Methods: We performed 1H-NMR spectroscopy on a 500 MHz spectrometer. Using a combination of one- and two-dimensional correlation spectroscopy (COSY) 1H-NMR spectra, we were able to assign and quantify resonances of characteristic N-acetylated compounds products in urine of patients with 13 inborn errors of metabolism. Results: The disease-specific N-acetylated metabolites were excreted at concentrations >100 μmol/mmol of creatinine in the patients’ urine. In control urine samples, the concentration of individual N-acetyl-containing compounds was <40 μmol/mmol of creatinine. The combination of one- and two-dimensional COSY NMR spectroscopy led to the correct diagnosis of nine different inborn errors of metabolism. No abnormalities were observed in the spectra of urine from patients with GM1- or GM2-gangliosidosis. We also determined the 1H-NMR characteristics of N-acetylated metabolites that may be relevant to human metabolism. Conclusion: 1H-NMR spectroscopy may be used to identify and quantify N-acetylated metabolites of diagnostic importance for the field of inborn errors of metabolism.
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Glinskikh, Anastasia, Olga Snytnikova, Ekaterina Zelentsova, Maria Borisova, Yuri Tsentalovich, and Andrey Akulov. "The Effect of Blood Contained in the Samples on the Metabolomic Profile of Mouse Brain Tissue: A Study by NMR Spectroscopy." Molecules 26, no. 11 (May 22, 2021): 3096. http://dx.doi.org/10.3390/molecules26113096.

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(1) Recently, metabolic profiling of the tissue in the native state or extracts of its metabolites has become increasingly important in the field of metabolomics. An important factor, in this case, is the presence of blood in a tissue sample, which can potentially lead to a change in the concentration of tissue metabolites and, as a result, distortion of experimental data and their interpretation. (2) In this paper, the metabolomic profiling based on NMR spectroscopy was performed to determine the effect of blood contained in the studied samples of brain tissue on their metabolomic profile. We used 13 male laboratory CD-1® IGS mice for this study. The animals were divided into two groups. The first group of animals (n = 7) was subjected to the perfusion procedure, and the second group of animals (n = 6) was not perfused. The brain tissues of the animals were homogenized, and the metabolite fraction was extracted with a water/methanol/chloroform solution. Samples were studied by high-frequency 1H-NMR spectroscopy with subsequent statistical data analysis. The group comparison was performed with the use of the Student’s test. We identified 36 metabolites in the brain tissue with the use of NMR spectroscopy. (3) For the major set of studied metabolites, no significant differences were found in the brain tissue metabolite concentrations in the native state and after the blood removal procedure. (4) Thus, it was shown that the presence of blood does not have a significant effect on the metabolomic profile of the brain in animals without pathologies.
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Tesevic, Vele, Ivana Aljancic, Slobodan Milosavljevic, Vlatka Vajs, Iris Djordjevic, Milka Jadranin, Nebojsa Menkovic, and Vlado Matevski. "Secondary metabolites of three endemic Centaurea L. species." Journal of the Serbian Chemical Society 79, no. 11 (2014): 1355–62. http://dx.doi.org/10.2298/jsc140318048t.

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The aerial parts of three endemic Centaurea L. species, namely C. tomorosii Micevski, C. soskae Hayek and C. galicicae Micevski, afforded sesquiterpene lactone cnicin (1) and seven flavonoids: apigenin (2), isokaempferide (3), hispidulin (4), eupatorin (5), cirsimaritin (6), santaflavone (7) and salvigenin (8). The structures of the isolated compounds were determined by UV, 1H NMR and 13C NMR spectroscopy and HR-ESI-MS spectrometry. 1H NMR spectroscopy was used as a method for quantitative analysis of sesquiterpene lactone cnicin.
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Tasic, Ljubica, Nataša Avramović, Melissa Quintero, Danijela Stanisic, Lucas G. Martins, Tassia Brena Barroso Carneiro da Costa, Milka Jadranin, et al. "A Metabonomic View on Wilms Tumor by High-Resolution Magic-Angle Spinning Nuclear Magnetic Resonance Spectroscopy." Diagnostics 12, no. 1 (January 10, 2022): 157. http://dx.doi.org/10.3390/diagnostics12010157.

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Pediatric cancer NMR-metabonomics might be a powerful tool to discover modified biochemical pathways in tumor development, improve cancer diagnosis, and, consequently, treatment. Wilms tumor (WT) is the most common kidney tumor in young children whose genetic and epigenetic abnormalities lead to cell metabolism alterations, but, so far, investigation of metabolic pathways in WT is scarce. We aimed to explore the high-resolution magic-angle spinning nuclear magnetic resonance (HR-MAS NMR) metabonomics of WT and normal kidney (NK) samples. For this study, 14 WT and 7 NK tissue samples were obtained from the same patients and analyzed. One-dimensional and two-dimensional HR-MAS NMR spectra were processed, and the one-dimensional NMR data were analyzed using chemometrics. Chemometrics enabled us to elucidate the most significant differences between the tumor and normal tissues and to discover intrinsic metabolite alterations in WT. The metabolic differences in WT tissues were revealed by a validated PLS-DA applied on HR-MAS T2-edited 1H-NMR and were assigned to 16 metabolites, such as lipids, glucose, and branched-chain amino acids (BCAAs), among others. The WT compared to NK samples showed 13 metabolites with increased concentrations and 3 metabolites with decreased concentrations. The relative BCAA concentrations were decreased in the WT while lipids, lactate, and glutamine/glutamate showed increased levels. Sixteen tissue metabolites distinguish the analyzed WT samples and point to altered glycolysis, glutaminolysis, TCA cycle, and lipid and BCAA metabolism in WT. Significant variation in the concentrations of metabolites, such as glutamine/glutamate, lipids, lactate, and BCAAs, was observed in WT and opened up a perspective for their further study and clinical validation.
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Dissertations / Theses on the topic "NMR spectroscopy of metabolites"

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Al-Busaidi, Harith N. K. "Secondary metabolites from Xylaria endophytes : the isolation and structure elucidation of secondary metabolites from Xylaria endophytes by chemical and spectroscopic methods." Thesis, University of Bradford, 2011. http://hdl.handle.net/10454/5266.

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Lenz, Eva-Maria. "Multinuclear NMR and HPLC-NMR spectroscopic studies on xenobiotic metabolism." Thesis, Birkbeck (University of London), 1997. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.267785.

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Asllani, Iris. "Anisotropic interactions of metabolites in skeletal muscle observed by dipolar coupling in ¹H NMR spectroscopy /." Thesis, Connect to this title online; UW restricted, 2002. http://hdl.handle.net/1773/8121.

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Ehlers, Ina. "NMR studies of metabolites and xenobiotics: From time-points to long-term metabolic regulation." Doctoral thesis, Umeå universitet, Institutionen för medicinsk kemi och biofysik, 2015. http://urn.kb.se/resolve?urn=urn:nbn:se:umu:diva-97684.

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Chemical species carry information in two dimensions, in their concentrations and their isotopic signatures. The concentrations of metabolites or synthetic compounds describe the composition of a chemical or biological system, while isotopic signatures describe processes in the system by their reaction pathways, regulation, and responses to external stimuli. Stable isotopes are unique tracers of these processes because their natural abundances are modulated by isotope effects occurring in physical processes as well as in chemical reactions. Nuclear magnetic resonance (NMR) spectroscopy is a prime technique not only for identification and quantification of small molecules in complex systems but also for measuring intramolecular distribution of stable isotopes in metabolites and other small molecules. In this thesis, we use quantitative NMR in three fields: in food science, environmental pollutant tracing, and plant-climate science. The phospholipid (PL) composition of food samples is of high interest because of their nutritional value and technological properties. However, the analysis of PLs is difficult as they constitute only a small fraction of the total lipid contents in foods. Here, we developed a method to identify PLs and determine their composition in food samples, by combining a liquid-liquid extraction approach for enriching PLs, with specialized 31P,1H-COSY NMR experiments to identify and quantify PLs. Wide-spread pollution with synthetic compounds threatens the environment and human health. However, the fate of pollutants in the environment is often poorly understood. Using quantitative deuterium NMR spectroscopy, we showed for the nitrosamine NDMA and the pesticide DDT how intramolecular distributions (isotopomer patterns) of the heavy hydrogen isotope deuterium reveal mechanistic insight into transformation pathways of pollutants and organic compounds in general. Intramolecular isotope distributions can be used to trace a pollutant’s origin, to understand its environmental transformation pathways and to evaluate remediation approaches. The atmospheric CO2 concentration ([CO2]) is currently rising at an unprecedented rate and plant responses to this increase in [CO2] influence the global carbon cycle and will determine future plant productivity. To investigate long-term plant responses, we developed a method to elucidate metabolic fluxes from intramolecular deuterium distributions of metabolites that can be extracted from historic plant material. We show that the intramolecular deuterium distribution of plant glucose depends on growth [CO2] and reflects the magnitude of photorespiration, an important side reaction of photosynthesis. In historic plant samples, we observe that photorespiration decreased in annual crop plants and natural vegetation over the past century, with no observable acclimation, implying that photosynthesis increased. In tree-ring samples from all continents covering the past 60 – 700 years, we detected a significantly smaller decrease in photorespiration than expected. We conclude that the expected “CO2 fertilization” has occurred but was significantly less pronounced in trees, due to opposing effects. The presented applications show that intramolecular isotope distributions not only provide information about the origin and turnover of compounds but also about metabolic regulation. By extracting isotope distributions from archives of plant material, metabolic information can be obtained retrospectively, which allows studies over decades to millennia, timescales that are inaccessible with manipulation experiments.
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Manton, David John. "Quantification of brain metabolites by in vivo proton MR spectroscopy : investigations into reproducibility and application to studies of intracranial tumours." Thesis, University of Hull, 1995. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.321120.

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Tolonen, A. (Ari). "Analysis of secondary metabolites in plant and cell culture tissue of Hypericum perforatum L and Rhodiola rosea L." Doctoral thesis, University of Oulu, 2003. http://urn.fi/urn:isbn:9514271610.

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Abstract Sensitive chromatographic methods were developed for the quantitative analysis of secondary metabolites in Hypericum perforatum (St. John's wort) and Rhodiola rosea (Golden root, rose root) extracts. Sample preparation methods were developed for plant, cell culture and biotransformation suspension matrixes. High performance liquid chromatography (HPLC) was used for the separation of analytes, and chromatographic data was acquired using photodiode array (PDA) detection or atmospheric pressure ionization mass spectrometry (API-MS). Ionization efficiencies with electrospray ionization (ESI) and atmospheric pressure chemical ionization (APCI) were compared under different conditions. Specific mass spectrometric detection methods such as multiple reaction monitoring (MRM) and selective ion monitoring (SIM) were utilized. For identification of known and new secondary metabolites in plant tissues, mass spectrometric methods with triple quadrupole and time-of-flight mass spectrometers were used together with one- and two-dimensional nuclear magnetic resonance spectroscopy (NMR).
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Al-Busaidi, Harith. "Secondary Metabolites from Xylaria Endophytes: The isolation and structure elucidation of secondary metabolites from Xylaria endophytes by chemical and spectroscopic methods." Thesis, University of Bradford, 2011. http://hdl.handle.net/10454/17479.

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This thesis describes the isolation and structure elucidation of secondary metabolites from a number of endophytic Xylaria fungi. Six Xylaria endophytes were surface cultured on an aqueous malt extract-glucose medium. The fungus A311R, from a palm tree in Thailand, produced nonane-1,2,3-tricarboxylic acid, which was isolated for the first time as a natural product. Also isolated from the same fungus was spiculisporic acid; the first instance of isolation from a Xylaria fungus. The fungus 6RD12 produced cycloepoxydon, which was isolated for the first time from a Xylaria fungus, and 4,5,6-trihydroxy-3-propyl-3,4,6,7-tetrahydro-l//-isochromen- 8(5//)-one, which is a novel compound. The fungi A217R and A517R produced cytochalasin D, (S)-mellein and (3S,4S)-4-hydroxymellein as main secondary metabolites suggesting that the two fungi are the same species. The fungus X04 (Xylaria cf. juruensis) produced 2-Hydroxy-5-ethoxy-3-methylcyclohexa-2,5-dien- 1,4-dione as a novel compound, coriloxin as the main secondary metabolite in addition to (R)-mellein and a mixture of two stereoisomers of the 4-Hydroxymellein. The fungus 6RD8 produced (S)-Omethylmellein as the main secondary metabolite. l
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Alhaidari, Rwaida A. A. "Secondary metabolites from Xylariaceous fungi. The isolation and structure elucidation of secondary metabolites from Xylariaceous fungi by chemical and spectroscopic methods." Thesis, University of Bradford, 2012. http://hdl.handle.net/10454/5705.

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This thesis describes the isolation and structure elucidation of secondary metabolites formed in static culture from a number of endophytic Xylariaceous fungi. Four Xylaria endophytes isolated from a palm tree in Thailand were surface cultured on an aqueous malt extract-glucose medium. They all produced cytochalasin D, coriloxin, (S)-mellein and (3R,4R)-4-hydroxymellein as the main secondary metabolites suggesting that the four endophytes could be the same species. The endophytic fungus A116 produced cytochalasin D as the main secondary metabolite. Another non-endophytic fungus B315, produced cytochalasin D, (R)-mellein, a mixture of two isomers of 4-hydroxymellein and phloroglucinol. X.62, an endophytic fungus, produced 19,20-epoxycytochalasin C from the mycelium as the main secondary metabolite. The fungus Engleromyces sinensis produced engleromycin acetate as the main secondary metabolite. Fungus X. polymorpha produced (3E)-4-(3¿-acetyl-2¿,6¿-dihydroxy-5¿-methylphenyl)-2-methoxybut-3-enoic acid.
Ministry of Higher Education; Kingdom of Saudi Arabia.
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Alhaidari, Rwaida Adel. "Secondary metabolites from Xylariaceous fungi : the isolation and structure elucidation of secondary metabolites from Xylariaceous fungi by chemical and spectroscopic methods." Thesis, University of Bradford, 2012. http://hdl.handle.net/10454/5705.

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This thesis describes the isolation and structure elucidation of secondary metabolites formed in static culture from a number of endophytic Xylariaceous fungi. Four Xylaria endophytes isolated from a palm tree in Thailand were surface cultured on an aqueous malt extract-glucose medium. They all produced cytochalasin D, coriloxin, (S)-mellein and (3R,4R)-4-hydroxymellein as the main secondary metabolites suggesting that the four endophytes could be the same species. The endophytic fungus A116 produced cytochalasin D as the main secondary metabolite. Another non-endophytic fungus B315, produced cytochalasin D, (R)-mellein, a mixture of two isomers of 4-hydroxymellein and phloroglucinol. X.62, an endophytic fungus, produced 19,20-epoxycytochalasin C from the mycelium as the main secondary metabolite. The fungus Engleromyces sinensis produced engleromycin acetate as the main secondary metabolite. Fungus X. polymorpha produced (3E)-4-(3'-acetyl-2',6'-dihydroxy-5'-methylphenyl)-2-methoxybut-3-enoic acid.
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Schilling, Franz [Verfasser]. "Novel Methods for NMR - Single-SHOT Correlation Spectroscopy and Diffusion of 13C-Metabolites utilizing both Hyperpolarization and Optimal Control / Franz Schilling." München : Verlag Dr. Hut, 2013. http://d-nb.info/1130261336/34.

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Books on the topic "NMR spectroscopy of metabolites"

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Gunther, Harald. NMR spectroscopy. 2nd ed. Chichester: Wiley, 1994.

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Dingley, Andrew J., and Steven M. Pascal. Biomolecular NMR spectroscopy. Amsterdam: IOS Press, 2011.

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Biomolecular NMR spectroscopy. Oxford: Oxford University Press, 1995.

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Keeler, James. Understanding NMR spectroscopy. 2nd ed. Chichester, U.K: John Wiley and Sons, 2010.

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Dolphin, Bruch Martha, ed. NMR spectroscopy techniques. 2nd ed. New York: M. Dekker, 1996.

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Understanding NMR spectroscopy. Hoboken, N.J: Wiley, 2006.

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Keeler, James. Understanding NMR spectroscopy. 2nd ed. Chichester: John Wiley and Sons, 2010.

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Understanding NMR spectroscopy. 2nd ed. Chichester: John Wiley and Sons, 2010.

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R, Dybowski C., and Lichter Robert L, eds. NMR spectroscopy techniques. New York: M. Dekker, 1987.

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Hatada, Koichi. NMR Spectroscopy of Polymers. Berlin, Heidelberg: Springer Berlin Heidelberg, 2004.

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Book chapters on the topic "NMR spectroscopy of metabolites"

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Yousf, Saleem, Nazia Hussain, Shilpy Sharma, and Jeetender Chugh. "Identification & Characterization of Secondary Metabolites in the Biological Soup by NMR Spectroscopy." In Applications of NMR Spectroscopy, 47–96. UAE: Bentham Science Publishers Ltd., 2017. http://dx.doi.org/10.2174/9781681084398117060004.

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Nagana Gowda, G. A., and Daniel Raftery. "Analysis of Plasma, Serum, and Whole Blood Metabolites Using 1H NMR Spectroscopy." In NMR-Based Metabolomics, 17–34. New York, NY: Springer New York, 2019. http://dx.doi.org/10.1007/978-1-4939-9690-2_2.

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Cady, Ernest B. "Determination of Absolute Concentrations of Metabolites from NMR Spectra." In In-Vivo Magnetic Resonance Spectroscopy I: Probeheads and Radiofrequency Pulses Spectrum Analysis, 249–81. Berlin, Heidelberg: Springer Berlin Heidelberg, 1992. http://dx.doi.org/10.1007/978-3-642-45697-8_8.

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Flores-Sanchez, Isvett Josefina, Young Hae Choi, and Robert Verpoorte. "Metabolite Analysis of Cannabis sativa L. by NMR Spectroscopy." In Methods in Molecular Biology, 363–75. New York, NY: Springer New York, 2011. http://dx.doi.org/10.1007/978-1-61779-424-7_27.

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Mickiewicz, Beata, M. Eric Hyndman, and Hans J. Vogel. "Metabolite Profiling of Clinical Cancer Biofluid Samples by NMR Spectroscopy." In Methods in Molecular Biology, 251–74. New York, NY: Springer New York, 2019. http://dx.doi.org/10.1007/978-1-4939-9027-6_14.

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Johnson, Kim A., Stella Huang, and Yue-Zhong Shu. "A Robust Methodology for Rapid Structure Determination of Microgram-Level Drug Metabolites by NMR Spectroscopy." In ADME-Enabling Technologies in Drug Design and Development, 353–62. Hoboken, NJ, USA: John Wiley & Sons, Inc., 2012. http://dx.doi.org/10.1002/9781118180778.ch23.

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Nicholson, J. K., P. J. Sadler, K. Tulip, and J. A. Timbrell. "The Application of High Resolution Proton NMR Spectroscopy to the Detection of Drug Metabolites in Biological Samples." In BIOACTIVE ANALYTES, Including CNS Drugs, Peptides, and Enantiomers, 321–35. Boston, MA: Springer US, 1986. http://dx.doi.org/10.1007/978-1-4757-1892-8_22.

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Nedielkov, Ruslan, and Heiko M. Möller. "Detecting and Characterizing Interactions of Metabolites with Proteins by Saturation Transfer Difference Nuclear Magnetic Resonance (STD NMR) Spectroscopy." In Methods in Molecular Biology, 123–39. New York, NY: Springer US, 2022. http://dx.doi.org/10.1007/978-1-0716-2624-5_9.

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Rolin, D., P. Pfeffer, J. Schimdt, R. Boswell, P. Cooke, and S. Jones. "Distribution of P metabolites and compartmentation in soybean nodules as studied by electron microscopy and 31P NMR spectroscopy." In The Rhizosphere and Plant Growth, 194. Dordrecht: Springer Netherlands, 1991. http://dx.doi.org/10.1007/978-94-011-3336-4_45.

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Wilson, Martin, and Andrew Peet. "Metabolite Profile Differences in Childhood Brain Tumors: 1H Magic Angle Spinning NMR Spectroscopy." In Pediatric Cancer, 107–16. Dordrecht: Springer Netherlands, 2012. http://dx.doi.org/10.1007/978-94-007-2957-5_11.

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Conference papers on the topic "NMR spectroscopy of metabolites"

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Stringer, Kathleen A., Natalie J. Serkova, Ken Guire, and Theodore J. Standiford. "Biologically Relevant Metabolites Of Sepsis-induced Acute Lung Injury (ALI) Identified By 1H-Nuclear Magnetic Resonance (NMR)-based Spectroscopy." In American Thoracic Society 2010 International Conference, May 14-19, 2010 • New Orleans. American Thoracic Society, 2010. http://dx.doi.org/10.1164/ajrccm-conference.2010.181.1_meetingabstracts.a3776.

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Žižić, Milan V., Miroslav Z. Živić, Kristina D. Atlagić, Maja A. Karaman, and Joanna Zakrzewska. "INFLUENCE OF VANADIUM ON THE GROWTH AND METABOLISM OF COPRINELLUS TRUNCORUM FUNGAL MYCELIUM." In 1st INTERNATIONAL Conference on Chemo and BioInformatics. Institute for Information Technologies, University of Kragujevac, 2021. http://dx.doi.org/10.46793/iccbi21.304z.

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Fungi could absorb heavy metals, metalloids, or radionuclides, thus fungal species possess great potential in bioremediation. Since fungi absorb the vanadium, in the present study ability of Coprinellus truncorum mycelia for vanadate uptake and its intracellular metabolism were investigated. The submerged cultivated C. truncorum was exposed to a rising concentration of vanadate. 31P NMR spectroscopy was used to investigate phosphate metabolism of the mycelium, while the status of vanadium in the cell was followed by 51V NMR spectroscopy. The mycelium could grow, and overcome vanadate presence, up to the concentration of 1.6 mM in the submerged medium. 31P NMR measurements pointed out that vanadate induced changes in the concentration of the crucial metabolite containing phosphorus, particularly sugar phosphates. The major result of vanadate action is evinced through an appearance of a signal positioned at around 2.8 ppm, and an increased signal of hexose- phosphates. Using 51V NMR spectroscopy the presence of vanadate monomer in the mycelia of the fungal cell was confirmed.
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Brito, Jordana T., Lucas H. Martorano, Ana Carolina F. de Albuquerque, Carlos Magno Rocha Ribeiro, Rodolfo Goetze Fiorot, José Walkimar de Mesquita Carneiro, Alessandra L. Valverde, and Fernando Martins dos Santos Junior. "ESPECTROSCOPIA COMPUTACIONAL APLICADA AO REASSINALAMENTO ESTRUTURAL DE MOLÉCULAS QUIRAIS: HELIANNUOL L." In VIII Simpósio de Estrutura Eletrônica e Dinâmica Molecular. Universidade de Brasília, 2020. http://dx.doi.org/10.21826/viiiseedmol202025.

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In the past, structure determination of natural products was an arduous process depending almost entirely on chemical synthesis, mainly by derivatization and degradation processes, taking years of effort. Recently, structural elucidation of natural products has undergone a revolution. Nowadays, with the combined use of different advanced spectroscopic methods, it became possible to completely assign the structure of natural products using small amounts of sample. However, despite the extraordinary ongoing advances in spectroscopy, the mischaracterization of natural products has been and remains a recurrent problem, especially in the presence of several chiral centers. The misinterpretation of NMR data has resulted in frequent reports addressing the issue of structural reassignment. In this context, a great effort has been devoted to the development of quantum chemical calculations to predict NMR parameters, and thus achieve a more accurate spectral interpretation. In this work, we applied a protocol for theoretical calculations of 1H NMR chemical shifts in order to establish the correct and unequivocal structure of Helianuol L, a member of the Heliannuol’s class, isolated from Helianthus annus. These secondary metabolites present a broad spectrum of biological activities, including the allelochemical activity, making them promising candidates as natural agrochemicals. It is worth mentioning, however, that the process of elucidating the structure of Heliannuol L was based on structural correlations with molecules already known in the literature, where few stereochemical analyses were performed. In this way, based on the fact that other compounds of the Heliannuol’s class had their structure previously reassigned, the verification of the proposed structure of Heliannuol L becomes of great importance.
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Uhrinova, Anna, Lucia Ungvarska Malucka, and Martin Pavlik. "MEDICINAL FUNGI OF THE GENERA OPHIOCORDYCEPS SINENSIS AND PAECILOMYCES HEPIALI." In 22nd SGEM International Multidisciplinary Scientific GeoConference 2022. STEF92 Technology, 2022. http://dx.doi.org/10.5593/sgem2022/6.1/s25.12.

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Various secondary metabolites isolated from Ophiocordyceps sinensis, the Chinese caterpillar fungus, have been reported to possess high therapeutic potential. Paecilomyces hepiali has even more biologically important chemical components with interesting pharmacological activity. Traditional Chinese medicine uses Ophiocordyceps sinensis to treat lung and respiratory system problems, hyposexuality, hypolipidemia kidney, or liver, heart, and immune system conditions. In addition, it has been used to treat various forms of cancer, especially in addition to chemotherapy and radiotherapy. The objective of the present study was to determine the antioxidant activity of metabolites isolated from medicinal fungi of the genera Ophiocordyceps sinensis and Paecilomyces hepiali cultivated on two types of rice (Oryza sativa var. indica and Oryza sativa var. japonica). Antioxidant activity was determined by applying the 1,1-diphenyl-2-picrylhydrazyl radical scavenging method to alcoholic extracts of O. sinensis and P. hepiali strains. Samples were prepared using reflux extractions. Refluxing produced the highest extraction yield. The highest extraction yield was achieved for the O. sinensis (4OS, 9.86 %) sample grown on Oryza sativa var. japonica. The highest scavenging ability for the stable 1,1-diphenyl-2-picrylhydrazyl radical was observed for the extract of Paecilomyces hepiali cultivated on Oryza sativa var. japonica (Sample 5PH: IC50DPPH 3.03 mg/mL). The chemical structure of the alcohol extracts was determined by NMR spectroscopy. Unsaturated fatty acids (Z-oleic acid, linoleic acid and D-mannitol) were identified as the major components of the extracts.
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Podo, F., G. Carpinelli, E. Proietti, and F. Belardelli. "NMR spectroscopy in tumors." In Proceedings of the Annual International Conference of the IEEE Engineering in Medicine and Biology Society. IEEE, 1988. http://dx.doi.org/10.1109/iembs.1988.94539.

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Azman, Anis Asmi, Rozida Khalid, and Muntaz Abu Bakar. "A characterization NMR of secondary metabolites from lichen Parmotrema praesorediosum." In THE 2017 UKM FST POSTGRADUATE COLLOQUIUM: Proceedings of the University Kebangsaan Malaysia, Faculty of Science and Technology 2017 Postgraduate Colloquium. Author(s), 2018. http://dx.doi.org/10.1063/1.5027997.

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Wicksted, James P., Roel J. Erckens, Massoud Motamedi, and Wayne F. March. "Monitoring of aqueous humor metabolites using Raman spectroscopy." In OE/LASE '94, edited by Robert R. Alfano. SPIE, 1994. http://dx.doi.org/10.1117/12.176001.

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Bovee, W. M. M. J. "Quantitation in in-vivo NMR spectroscopy." In Proceedings of the Annual International Conference of the IEEE Engineering in Medicine and Biology Society. IEEE, 1988. http://dx.doi.org/10.1109/iembs.1988.94534.

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Su, Haw-Lih, Huei-Wen Winsom Teng, Jeff Cheng-Lung Lee, Mohammed Shkoor, Mohammad Ibrahim Ahmad Ibrahim, Mohammed Hussain S. A. Alsafran, and Saeed H. Al-meer. "NMR Spectroscopy Database and Searching System." In Qatar University Annual Research Forum & Exhibition. Qatar University Press, 2020. http://dx.doi.org/10.29117/quarfe.2020.0242.

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NMR spectroscopy is the most important analytical technology for organic compounds and plays key role for the chemical characterizations and identifications in chemistry, pharmacy, materials science, environment, biology, and many related fields. In most cases, a NMR spectrum is compared with the known spectra to check if the sample contains a known chemical or is a new product. However, the current comparison process relayed on human beings and waste a lot of time and efforts. A new database and searching system is thus in need.
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Bicego, Manuele, Pietro Lovato, Marco DeBona, Flavia Guzzo, and Michael Assfalg. "Mining NMR Spectroscopy Using Topic Models." In 2018 24th International Conference on Pattern Recognition (ICPR). IEEE, 2018. http://dx.doi.org/10.1109/icpr.2018.8545883.

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Reports on the topic "NMR spectroscopy of metabolites"

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Havel, Timothy E., and David G. Cory. Ensemble Quantum Computing by Liquid-State NMR Spectroscopy. Fort Belvoir, VA: Defense Technical Information Center, May 2001. http://dx.doi.org/10.21236/ada394753.

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Savargaonkar, Nilesh. Fundamental studies of supported bimetallic catalysts by NMR spectroscopy. Office of Scientific and Technical Information (OSTI), October 1996. http://dx.doi.org/10.2172/515487.

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Verkade, J. G. Functional group analysis in coal by sup 31 P NMR spectroscopy. Office of Scientific and Technical Information (OSTI), May 1989. http://dx.doi.org/10.2172/6778617.

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Verkade, J. Functional group analysis in coal by sup 31 P nmr spectroscopy. Office of Scientific and Technical Information (OSTI), January 1989. http://dx.doi.org/10.2172/6912606.

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Pohost, G. M. Consortium to develop the medical uses of NMR imaging, NMR spectroscopy, and positron emission tomography. Final technical report. Office of Scientific and Technical Information (OSTI), June 1998. http://dx.doi.org/10.2172/607522.

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Unkefer, C., G. Hernandez, P. Springer, J. Trewhella, D. Blumenthal, and M. Lidstrom. Structural determination of larger proteins using stable isotope labeling and NMR spectroscopy. Office of Scientific and Technical Information (OSTI), April 1996. http://dx.doi.org/10.2172/212499.

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Alam, Todd Michael, and Sarah K. McIntyre. Development of a micro flow-through cell for high field NMR spectroscopy. Office of Scientific and Technical Information (OSTI), May 2011. http://dx.doi.org/10.2172/1018472.

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Verkade, J. G. Functional group analysis in coal and on coal surfaces by NMR spectroscopy. Office of Scientific and Technical Information (OSTI), January 1990. http://dx.doi.org/10.2172/6501246.

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Verkade, J. G. Functional group analysis in coal and on coal surfaces by NMR spectroscopy. Office of Scientific and Technical Information (OSTI), October 1989. http://dx.doi.org/10.2172/6501469.

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Khaneja, Navin. Intelligent Sensing and Probing with Applications to Protein NMR Spectroscopy and Laser Chemistry. Fort Belvoir, VA: Defense Technical Information Center, August 2006. http://dx.doi.org/10.21236/ada463606.

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