PMID- 37796494
OWN - NLM
STAT- MEDLINE
DCOM- 20231102
LR  - 20231104
IS  - 1520-6882 (Electronic)
IS  - 0003-2700 (Print)
IS  - 0003-2700 (Linking)
VI  - 95
IP  - 41
DP  - 2023 Oct 17
TI  - Using Multidimensional Separations to Distinguish Isomeric Amino Acid-Bile Acid 
      Conjugates and Assess Their Presence and Perturbations in Model Systems.
PG  - 15357-15366
LID - 10.1021/acs.analchem.3c03057 [doi]
AB  - Bile acids play key roles in nutrient uptake, inflammation, signaling, and 
      microbiome composition. While previous bile acid analyses have primarily focused 
      on profiling 5 canonical primary and secondary bile acids and their glycine and 
      taurine amino acid-bile acid (AA-BA) conjugates, recent studies suggest that many 
      other microbial conjugated bile acids (or MCBAs) exist. MCBAs are produced by the 
      gut microbiota and serve as biomarkers, providing information about early disease 
      onset and gut health. Here we analyzed 8 core bile acids synthetically conjugated 
      with 22 proteinogenic and nonproteogenic amino acids totaling 176 MCBAs. Since 
      many of the conjugates were isomeric and only 42 different m/z values resulted 
      from the 176 MCBAs, a platform coupling liquid chromatography, ion mobility 
      spectrometry, and mass spectrometry (LC-IMS-MS) was used for their separation. 
      Their molecular characteristics were then used to create an in-house extended 
      bile acid library for a combined total of 182 unique compounds. Additionally, 
       approximately 250 rare bile acid extracts were also assessed to provide additional resources 
      for bile acid profiling and identification. This library was then applied to 
      healthy mice dosed with antibiotics and humans having fecal microbiota 
      transplantation (FMT) to assess the MCBA presence and changes in the gut before 
      and after each perturbation.
FAU - Stewart, Allison K
AU  - Stewart AK
AD  - Department of Chemistry, North Carolina State University, Raleigh, North Carolina 
      27695, United States.
FAU - Foley, Matthew H
AU  - Foley MH
AD  - Department of Pathobiology and Population Health, College of Veterinary Medicine, 
      North Carolina State University, Raleigh, North Carolina 27607, United States.
AD  - Department of Food, Bioprocessing and Nutrition Sciences, North Carolina State 
      University, Raleigh, North Carolina 27606, United States.
FAU - Dougherty, Michael K
AU  - Dougherty MK
AD  - Department of Medicine, Division of Gastroenterology and Hepatology, University 
      of North Carolina at Chapel Hill, Chapel Hill, North Carolina, 27599, United 
      States.
FAU - McGill, Sarah K
AU  - McGill SK
AD  - Department of Medicine, Division of Gastroenterology and Hepatology, University 
      of North Carolina at Chapel Hill, Chapel Hill, North Carolina, 27599, United 
      States.
FAU - Gulati, Ajay S
AU  - Gulati AS
AD  - Department of Pathology and Laboratory Medicine, University of North Carolina at 
      Chapel Hill, Chapel Hill, North Carolina 27599, United States.
AD  - Department of Pediatrics, Division of Gastroenterology, University of North 
      Carolina at Chapel Hill, Chapel Hill, North Carolina 27599, United States.
FAU - Gentry, Emily C
AU  - Gentry EC
AUID- ORCID: 0000-0002-0016-8132
AD  - Department of Chemistry, Virginia Tech, Blacksburg, Virginia 24061, United 
      States.
FAU - Hagey, Lee R
AU  - Hagey LR
AD  - Division of Gastroenterology, Department of Medicine, School of Medicine, 
      University of California at San Diego, La Jolla, California 92093, United States.
FAU - Dorrestein, Pieter C
AU  - Dorrestein PC
AD  - Skaggs School of Pharmacy and Pharmaceutical Sciences, Departments of 
      Pharmacology and Pediatrics, University of California at San Diego, La Jolla, 
      California 92093, United States.
FAU - Theriot, Casey M
AU  - Theriot CM
AD  - Department of Pathobiology and Population Health, College of Veterinary Medicine, 
      North Carolina State University, Raleigh, North Carolina 27607, United States.
FAU - Dodds, James N
AU  - Dodds JN
AUID- ORCID: 0000-0002-9702-2294
AD  - Department of Chemistry, University of North Carolina at Chapel Hill, Chapel 
      Hill, North Carolina 27607, United States.
FAU - Baker, Erin S
AU  - Baker ES
AUID- ORCID: 0000-0001-5246-2213
AD  - Department of Chemistry, University of North Carolina at Chapel Hill, Chapel 
      Hill, North Carolina 27607, United States.
LA  - eng
GR  - RM1 GM145416/GM/NIGMS NIH HHS/United States
GR  - P42 ES031009/ES/NIEHS NIH HHS/United States
GR  - R01 DK136117/DK/NIDDK NIH HHS/United States
GR  - R01 GM141277/GM/NIGMS NIH HHS/United States
GR  - P42 ES027704/ES/NIEHS NIH HHS/United States
GR  - T32 DK007634/DK/NIDDK NIH HHS/United States
PT  - Journal Article
PT  - Research Support, N.I.H., Extramural
PT  - Research Support, U.S. Gov't, Non-P.H.S.
DEP - 20231005
PL  - United States
TA  - Anal Chem
JT  - Analytical chemistry
JID - 0370536
RN  - 0 (Bile Acids and Salts)
RN  - 0 (Amino Acids)
RN  - 0 (Steroids)
SB  - IM
MH  - Humans
MH  - Mice
MH  - Animals
MH  - *Bile Acids and Salts
MH  - *Amino Acids
MH  - Isomerism
MH  - Mass Spectrometry
MH  - Steroids
PMC - PMC10613829
MID - NIHMS1937765
COIS- The authors declare the following competing financial interest(s): PD is a 
      co-founder and scientific advisor to Ometa, Arome and Enveda with approval by 
      UC-San Diego and a scientific advisor to Cybele. CMT has consulted for Ferring 
      Pharmaceuticals and is on the Scientific Advisory Board for Ancilia Biosciences.
EDAT- 2023/10/05 12:44
MHDA- 2023/11/02 12:45
PMCR- 2023/10/30
CRDT- 2023/10/05 11:33
PHST- 2023/11/02 12:45 [medline]
PHST- 2023/10/05 12:44 [pubmed]
PHST- 2023/10/05 11:33 [entrez]
PHST- 2023/10/30 00:00 [pmc-release]
AID - 10.1021/acs.analchem.3c03057 [doi]
PST - ppublish
SO  - Anal Chem. 2023 Oct 17;95(41):15357-15366. doi: 10.1021/acs.analchem.3c03057. 
      Epub 2023 Oct 5.