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Dynamic Residual Complexity of Natural Products by qHNMR: Solution Stability of Desmethylxanthohumol

Shao-Nong Chen, David Lankin, Lucas Chadwick, Birgit Jaki, Guido Pauli
2009 Planta Medica  
The present study examines the dynamics of the hop prenylphenol, desmethylxanthohumol (DMX), by means of quantitative (1)H-NMR (qHNMR) in a setting that mimics IN VITRO and physiological conditions.  ...  Formation of the potent phytoestrogen, 8-prenylnaringenin (8PN), suggests that measurable estrogenic activity even of high-purity DMX is an artifact.  ...  Limited supply of the natural source and high cost of synthetic prodn.has led to a search for alternative sources of galanthamine.  ... 
doi:10.1055/s-0028-1112209 pmid:19145555 pmcid:PMC2760692 fatcat:wihobk3fjjeabhnmcgxv7sdzou

In-Vivo NMR Spectroscopy: A Powerful and Complimentary Tool for Understanding Environmental Toxicity

Monica Bastawrous, Amy Jenne, Maryam Tabatabaei Anaraki, André Simpson
2018 Metabolites  
Solution-state NMR in combination with a flow system provides a low stress approach to monitor dissolved metabolites, while magic angle spinning NMR allows the detection of all components (solutions, gels  ...  When multidimensional NMR is combined with isotopic labelling, a wide range of metabolites can be identified in-vivo providing a unique window into the living metabolome that is highly complementary to  ...  A.J.S. would like to thank the Government of Ontario for an Early Researcher Award.  ... 
doi:10.3390/metabo8020035 pmid:29795000 pmcid:PMC6027203 fatcat:lobv6bo4jzhobprsncd6djrsoq

Nuclear magnetic resonance and surface-assisted laser desorption/ionization mass spectrometry-based serum metabolomics of kidney cancer

Joanna Nizioł, Krzysztof Ossoliński, Brian P. Tripet, Valérie Copié, Adrian Arendowski, Tomasz Ruman
2020 Analytical and Bioanalytical Chemistry  
In this study, comprehensive high-resolution proton nuclear magnetic resonance spectroscopy (1H NMR) and silver-109 nanoparticle-enhanced steel target laser desorption/ionization mass spectrometry (109AgNPET  ...  Our results, derived from the combination of LDI MS and 1H NMR methods, suggest that serum biomarkers identified herein appeared to have great potential for use in clinical prognosis and/or diagnosis of  ...  For this purpose, we recorded high-resolution 1D 1 H NMR spectra on 99 total (50 RCC and 49 controls) metabolite extracts from serum samples.  ... 
doi:10.1007/s00216-020-02807-1 pmid:32661677 fatcat:utbg3euaxffflo7y54m2upb7k4

Nuclear magnetic resonance metabolomics and human liver diseases: The principles and evidence associated with protein and carbohydrate metabolism

Laurence Le Moyec, Mohamed N. Triba, Pierre Nahon, Nadia Bouchemal, Edith Hantz, Corentine Goossens, Roland Amathieu, Philippe Savarin
2017 Biomedical Reports  
Nuclear magnetic resonance (NMR) spectroscopy is one of the two most commonly applied methods for metabolomics.  ...  Numerous studies have demonstrated that this is a powerful technique for improving the understanding, diagnosis and management of various types of liver disease, such as acute and chronic liver diseases  ...  This technique is non-invasive, simple, inexpensive and fast, and has high sensitivity and good specificity.  ... 
doi:10.3892/br.2017.868 pmid:28413636 pmcid:PMC5374905 fatcat:lqamotnfhfh75pv7avj2osegqq

Applications of NMR spectroscopy to systems biochemistry

Teresa W.-M. Fan, Andrew N. Lane
2016 Progress in nuclear magnetic resonance spectroscopy  
Despite its limitations in sensitivity relative to mass spectrometric techniques, NMR has a number of unparalleled advantages for metabolic studies, most notably the rigor and versatility in structure  ...  As NMR parameters can be sensitive to pH, temperature, concentration, and ionic conditions [26, 27] , the sample spectra will need to be acquired under matched conditions with the standard spectra acquired  ...  Also shown are the 1D projection spectra of 13 C labeled A549 cell extracts obtained from selenite (Se) and control treatments ( Fig. 5A and C, respectively), along with the high-resolution 1 H NMR spectrum  ... 
doi:10.1016/j.pnmrs.2016.01.005 pmid:26952191 pmcid:PMC4850081 fatcat:km3sopobargb5hm35teonftmlq

An introduction to biological nuclear magnetic resonance spectroscopy

John H. F. Bothwell, Julian L. Griffin
2010 Biological Reviews  
We focus on spectroscopic applications of the magnetic resonance effect, rather than imaging ones, and explain how various aspects of the NMR phenomenon make it a versatile tool with which to address a  ...  Further examples demonstrate how NMR spectroscopy can be used to probe the physical environment of a cell by measuring diffusion and the tumbling rates of individual metabolites and how it can determine  ...  reproducibility, making high-resolution NMR spectroscopy a more robust analytical approach than those based on chromatographic and/or mass spectrometry based methods, such as high performance liquid chromatography  ... 
doi:10.1111/j.1469-185x.2010.00157.x pmid:20969720 fatcat:d6dal4ahe5fmpfnmowfll4b4hi

Rapid Identification of New Biomarkers for the Classification of GM1 Type 2 Gangliosidosis Using an Unbiased 1H NMR-Linked Metabolomics Strategy

Benita C. Percival, Yvonne L. Latour, Cynthia J. Tifft, Martin Grootveld
2021 Cells  
In order to identify and establish new, predominantly low-molecular-mass biomarkers for this disorder, we employed an untargeted, multi-analyte approach involving high-resolution 1H NMR analysis coupled  ...  The relationship of these differences to metabolic mechanisms underlying the pathogenesis of GM1T2 disorder was also investigated. 1H NMR-linked metabolomics analyses revealed significant GM1T2-mediated  ...  Acknowledgments: The authors are eternally grateful to all project participants for the kind donation of their blood samples for NMR analysis.  ... 
doi:10.3390/cells10030572 pmid:33807817 pmcid:PMC7998791 fatcat:jklxpfsswvav7d74zuhkrhbbdq

Host: Microbiome co-metabolic processing of dietary polyphenols – An acute, single blinded, cross-over study with different doses of apple polyphenols in healthy subjects

Kajetan Trošt, Maria M. Ulaszewska, Jan Stanstrup, Davide Albanese, Carlotta De Filippo, Kieran M. Tuohy, Fausta Natella, Cristina Scaccini, Fulvio Mattivi
2018 Food Research International  
ToF-SIMS combines high spatial resolution (up to 300 nm) with high sensitivity.  ...  Conclusion: This study highlights the utility of high-resolution metabolomics for the study of HD.  ...  This e-infrastructure will support the data processing and analysis pipelines for molecular phenotype data from the earliest time point of data acquisition in the laboratory up to the high level medical  ... 
doi:10.1016/j.foodres.2018.06.016 pmid:30131118 fatcat:3ha7tt3hnneofg5wz645ekssse

The Use of Urine Proteomic and Metabonomic Patterns for the Diagnosis of Interstitial Cystitis and Bacterial Cystitis

Que N. Van, John R. Klose, David A. Lucas, DaRue A. Prieto, Brian Luke, Jack Collins, Stanley K. Burt, Gwendolyn N. Chmurny, Haleem J. Issaq, Thomas P. Conrads, Timothy D. Veenstra, Susan K. Keay
2004 Disease Markers  
With this approach, a training set comprised of mass spectra and1H-NMR spectra from urine derived from either unaffected individuals or patients with IC is employed so that the most fit combination of  ...  The methodology relies on advanced bioinformatics to scrutinize information contained within mass spectrometry (MS) and high-resolution proton nuclear magnetic resonance (1H-NMR) spectral patterns to distinguish  ...  Bruce Adams from Varian, Inc. for the NMR binning package.  ... 
doi:10.1155/2004/530647 pmid:15258332 pmcid:PMC3850593 fatcat:tiqgtelujjfmrfart7pp6ivvzq

Selective Amino Acid-Only in Vivo NMR: A Powerful Tool To Follow Stress Processes

Daniel Lane, Ronald Soong, Wolfgang Bermel, Paris Ning, Rudraksha Dutta Majumdar, Maryam Tabatabaei-Anaraki, Hermann Heumann, Marcel Gundy, Holger Bönisch, Yalda Liaghati Mobarhan, Myrna J. Simpson, André J. Simpson
2019 ACS Omega  
As such, they are a useful proxy for stress detection in general, which could then be a trigger for more in-depth analysis of the metabolome. 1H-13C heteronuclear single quantum coherence (HSQC) is commonly  ...  Amino acids are a very important category of metabolites for stress detection as they are involved in the vast majority of stress response pathways.  ...  Figure 5 . 5 A series of 2D NUS in vivo (H)CbCa(COCa)Ha NMR spectra of in vivo 13 C-enriched D. magna reconstructed with CS.  ... 
doi:10.1021/acsomega.9b00931 pmid:31459990 pmcid:PMC6648361 fatcat:htzruph3nrdqpmctcgqiwwwpkm

Navigating the Human Metabolome for Biomarker Identification and Design of Pharmaceutical Molecules

Irene Kouskoumvekaki, Gianni Panagiotou
2011 Journal of Biomedicine and Biotechnology  
how structural similarity with human metabolites could assist in the design of novel pharmaceuticals and the elucidation of the molecular mechanisms of medicinal plants.  ...  In this paper, we present the most up-to-date metabolite and metabolic pathway resources, and we summarize the statistical, and machine-learning tools used for the analysis of data from clinical metabolomics  ...  Acknowledgments The authors acknowledge the funding from the Danish Research Council for Technology and Production Sciences. they thank Sonny Kim Nielsen for the Tanimoto coefficient calculations.  ... 
doi:10.1155/2011/525497 pmid:20936122 pmcid:PMC2948926 fatcat:4tatm2dtznek3cu75wgvbwcaxe

Quantitative 1H NMR. Development and Potential of an Analytical Method: An Update

Guido F. Pauli, Tanja Gödecke, Birgit U. Jaki, David C. Lankin
2012 Journal of natural products  
Among the foremost advantages of qHNMR is its accurate function with external calibration, the lack of any requirement for identical reference materials, a high precision and accuracy when properly validated  ...  Covering the literature from mid-2004 until the end of 2011, this review continues a previous literature overview on quantitative 1 H NMR (qHNMR) methodology and its applications in the analysis of natural  ...  Acknowledgments The authors kindly acknowledge the following individuals for helpful discussions, encouraging feedback, and collegial support of our qNMR related activities: Drs. Kim  ... 
doi:10.1021/np200993k pmid:22482996 pmcid:PMC3384681 fatcat:4ifrtx4zkncjbh6i5w2q4oznnm

Assessing Cardiac Metabolism

Heinrich Taegtmeyer, Martin E. Young, Gary D. Lopaschuk, E. Dale Abel, Henri Brunengraber, Victor Darley-Usmar, Christine Des Rosiers, Robert Gerszten, Jan F. Glatz, Julian L. Griffin, Robert J. Gropler, Hermann-Georg Holzhuetter (+9 others)
2016 Circulation Research  
uses 35 L of oxygen to support the oxidative phosphorylation of ADP to ATP. 1 In humans, the heart is responsible for ≈10% of whole-body fuel consumption.  ...  The heart's needs for energy are difficult to overestimate.  ...  Acknowledgments The authors wish to recognize Drs Giovanni Davogustto, Anja Karlstaedt, and Joost J Luiken for contributing to some of the sections, Roxy A.  ... 
doi:10.1161/res.0000000000000097 pmid:27012580 pmcid:PMC5130157 fatcat:7wzctwza3ndufarjswlufpc7xm

Postoperative Lung Injury- The path from Initiation to Clinical Diagnosis [article]

Raluca Maltesen
2016 Ph.d.-serien for Det Teknisk-Naturvidenskabelige Fakultet, Aalborg Universitet  
as 1000 MHz.(124) As a result of its continuously increasing application base, two more Nobel Prizes were awarded: one for the methodological development of high resolution NMR spectroscopy (R.R.  ...  for NMR data), the retention times (for LC or GC data), and masses or mass fragments (for MS data).  ... 
doi:10.5278/ fatcat:ri3fq2cyejbdpktruzachia2ou

Abstracts of Papers Presented at the 2007 Pittsburgh Conference

Peter B. Stockwell
2007 Journal of automated methods & management in chemistry (Print)  
That means it must be simple to operate in a manner that the human is capable of doing within a practical amount of training, and the information provided by the detector must be reliably accurate and  ...  , and potential for supplementing detection with visual techniques.  ...  ACKNOWLEDGMENTS The authors would like to acknowledge the American Cancer Society (IRG-84-002-22) for funding as well as the IUPUI Department of Chemistry.  ... 
doi:10.1155/2007/71943 pmid:18528514 pmcid:PMC2391256 fatcat:x3ojznxiufafpcjumeymzd5ise
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