Identification of metabolites in human hepatic bile using 800 MHz 1H NMR spectroscopy, HPLC-NMR/MS and UPLC-MS

Molecular BioSystems
Iola F DuarteJohn C Lindon


The first application of high field NMR spectroscopy (800 MHz for (1)H observation) to human hepatic bile (as opposed to gall bladder bile) is reported. The bile sample used for detailed investigation was from a donor liver with mild fat infiltration, collected during organ retrieval prior to transplantation. In addition, to focus on the detection of bile acids in particular, a bile extract was analysed by 800 MHz (1)H NMR spectroscopy, HPLC-NMR/MS and UPLC-MS. In the whole bile sample, 40 compounds have been assigned with the aid of two-dimensional (1)H-(1)H TOCSY and (1)H-(13)C HSQC spectra. These include phosphatidylcholine, 14 amino acids, 10 organic acids, 4 carbohydrates and polyols (glucose, glucuronate, glycerol and myo-inositol), choline, phosphocholine, betaine, trimethylamine-N-oxide and other small molecules. An initial NMR-based assessment of the concentration range of some key metabolites has been made. Some observed chemical shifts differ from expected database values, probably due to a difference in bulk diamagnetic susceptibility. The NMR spectra of the whole extract gave identification of the major bile acids (cholic, deoxycholic and chenodeoxycholic), but the glycine and taurine conjugates of a given bile aci...Continue Reading


Oct 1, 1989·Digestive Diseases and Sciences·K ChenT Whiteside
Mar 1, 1995·Analytical Chemistry·J K NicholsonJ C Lindon
Jun 13, 1998·Transplantation·H Vilca MelendezN Heaton
Jun 25, 1998·Transplant International : Official Journal of the European Society for Organ Transplantation·H Vilca MelendezN D Heaton
May 29, 1999·Hepatology : Official Journal of the American Association for the Study of Liver Diseases·B CombesA F Hofmann
Mar 15, 2003·Analytical and Bioanalytical Chemistry·DebraLynn Mims, David Hercules
Mar 23, 2005·Liver International : Official Journal of the International Association for the Study of the Liver·Shahid A KhanSimon D Taylor-Robinson
May 21, 2005·Magnetic Resonance in Medicine : Official Journal of the Society of Magnetic Resonance in Medicine·Omkar B IjareC L Khetrapal
Jun 11, 2005·European Journal of Gastroenterology & Hepatology·Shahid A KhanSimon D Taylor-Robinson
Sep 27, 2005·Journal of Chromatography. B, Analytical Technologies in the Biomedical and Life Sciences·Ines BurkardKatharina M Rentsch
Oct 7, 2005·Pharmacogenomics·John C LindonJeremy K Nicholson
Jan 28, 2006·World Journal of Gastroenterology : WJG·Annika LapidusCurt Einarsson
May 23, 2006·Pharmaceutical Research·John C LindonJeremy K Nicholson
May 31, 2008·Journal of Chromatography. B, Analytical Technologies in the Biomedical and Life Sciences·Ivana BobeldijkElwin Verheij
Aug 19, 2008·Journal of Proteome Research·Jeremy K NicholsonPaul Elliott

❮ Previous
Next ❯


Aug 11, 2011·Bioanalysis·David S Wishart
May 19, 2010·Biomarkers in Medicine·G A Nagana GowdaTedros Bezabeh
Apr 22, 2010·Biomarkers in Medicine·G A Nagana Gowda
Jan 29, 2014·Current Opinion in Gastroenterology·James KinrossJeremy Nicholson
Aug 26, 2011·Journal of Molecular and Cellular Cardiology·Aristide C ChikandoW J Lederer
May 4, 2010·Digestive and Liver Disease : Official Journal of the Italian Society of Gastroenterology and the Italian Association for the Study of the Liver·Lucas Maillette de Buy Wenniger, Ulrich Beuers
Jul 7, 2011·Electrophoresis·Cristina Legido-QuigleyElaine Holmes
May 1, 2011·NMR in Biomedicine·Kamaiah JayalakshmiNeeraj Sinha
Oct 21, 2009·Magnetic Resonance in Chemistry : MRC·Tedros BezabehIan C P Smith
Oct 25, 2013·Proteomics·Roman FischerBenedikt M Kessler
Nov 6, 2009·Mass Spectrometry Reviews·Andrew D PattersonJeffrey R Idle
Sep 18, 2013·Neurobiology of Aging·Luke WhileyUNKNOWN AddNeuroMed Consortium
Mar 20, 2015·Journal of Proteome Research·Silke S Heinzmann, Philippe Schmitt-Kopplin
Oct 30, 2012·Current Opinion in Structural Biology·Oscar Llorca
Jul 29, 2011·Environmental Science & Technology·Yan ZhangShupei Cheng
Aug 22, 2012·Journal of Proteome Research·Sofia MocoSerge Rezzi
Feb 16, 2017·Scientific Reports·Arquimedes Paixão de Santana-FilhoGuilherme Lanzi Sassaki
Nov 26, 2010·Drug Metabolism and Disposition : the Biological Fate of Chemicals·Gregory S WalkerAmy Freund
Jul 19, 2020·Nature Protocols·Isabel Garcia-PerezJeremy K Nicholson
May 28, 2019·Analytical and Bioanalytical Chemistry·Mainak DuttaAndrew D Patterson
Dec 16, 2016·Molecular Pharmaceutics·Wendy A TeftRichard B Kim
Oct 24, 2017·ACS Chemical Biology·Mohsen Badiee, Gregory P Tochtrop

❮ Previous
Next ❯

Related Concepts

Trending Feeds


Coronaviruses encompass a large family of viruses that cause the common cold as well as more serious diseases, such as the ongoing outbreak of coronavirus disease 2019 (COVID-19; formally known as 2019-nCoV). Coronaviruses can spread from animals to humans; symptoms include fever, cough, shortness of breath, and breathing difficulties; in more severe cases, infection can lead to death. This feed covers recent research on COVID-19.


Blastomycosis fungal infections spread through inhaling Blastomyces dermatitidis spores. Discover the latest research on blastomycosis fungal infections here.

Nuclear Pore Complex in ALS/FTD

Alterations in nucleocytoplasmic transport, controlled by the nuclear pore complex, may be involved in the pathomechanism underlying multiple neurodegenerative diseases including Amyotrophic Lateral Sclerosis and Frontotemporal Dementia. Here is the latest research on the nuclear pore complex in ALS and FTD.

Applications of Molecular Barcoding

The concept of molecular barcoding is that each original DNA or RNA molecule is attached to a unique sequence barcode. Sequence reads having different barcodes represent different original molecules, while sequence reads having the same barcode are results of PCR duplication from one original molecule. Discover the latest research on molecular barcoding here.

Chronic Fatigue Syndrome

Chronic fatigue syndrome is a disease characterized by unexplained disabling fatigue; the pathology of which is incompletely understood. Discover the latest research on chronic fatigue syndrome here.

Evolution of Pluripotency

Pluripotency refers to the ability of a cell to develop into three primary germ cell layers of the embryo. This feed focuses on the mechanisms that underlie the evolution of pluripotency. Here is the latest research.

Position Effect Variegation

Position Effect Variagation occurs when a gene is inactivated due to its positioning near heterochromatic regions within a chromosome. Discover the latest research on Position Effect Variagation here.

STING Receptor Agonists

Stimulator of IFN genes (STING) are a group of transmembrane proteins that are involved in the induction of type I interferon that is important in the innate immune response. The stimulation of STING has been an active area of research in the treatment of cancer and infectious diseases. Here is the latest research on STING receptor agonists.


Microbicides are products that can be applied to vaginal or rectal mucosal surfaces with the goal of preventing, or at least significantly reducing, the transmission of sexually transmitted infections. Here is the latest research on microbicides.