Summary of Study ST002869

This data is available at the NIH Common Fund's National Metabolomics Data Repository (NMDR) website, the Metabolomics Workbench, https://www.metabolomicsworkbench.org, where it has been assigned Project ID PR001792. The data can be accessed directly via it's Project DOI: 10.21228/M82X5Q This work is supported by NIH grant, U2C- DK119886.

See: https://www.metabolomicsworkbench.org/about/howtocite.php

This study contains a large results data set and is not available in the mwTab file. It is only available for download via FTP as data file(s) here.

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Study IDST002869
Study TitleIdentifying Biodegradation Pathways of Cetrimonium Bromide (CTAB) Using Metagenome, Metatranscriptome, and Metabolome Tri-omics Integration
Study SummaryTraditional research on biodegradation of emerging organic pollutants involves slow and labor-intensive experimentation. Currently, fast-developing metagenome, metatranscriptome, and metabolome technologies promise to expedite mechanistic research on biodegradation of emerging organic pollutants. Integrating the metagenome, metatranscriptome, and metabolome (i.e., tri-omics) makes it possible to link gene abundance and expression with the biotransformation of the contaminant and the formation of metabolites from this biotransformation. In this study, we used this tri-omics approach to study the biotransformation pathways for cetyltrimethylammonium bromide (CTAB) under aerobic conditions. The tri-omics analysis showed that CTAB undergoes three parallel first-step mono-/di-oxygenations ; intermediate metabolites and expressed enzymes were identified for all three pathways, and the beta-carbon mono-/di-oxygenation is a novel pathway. Four metabolites – palmitic acid, trimethylamine N-oxide (TMAO), myristic acid, and betaine – were the key identified biodegradation intermediates of CTAB, and they were associated with first-step mono-/di-oxygenations This tri-omics approach with CTAB demonstrates its power for identifying promising paths for future research on the biodegradation of complex organics by microbial communities.
Institute
Arizona State University
Last NameZheng
First NameChenwei
AddressArizona State University, Tempe Campus
Emailczheng28@asu.edu
Phone4802804450
Submit Date2023-09-05
Raw Data AvailableYes
Raw Data File Type(s)d
Analysis Type DetailLC-MS
Release Date2023-09-22
Release Version1
Chenwei Zheng Chenwei Zheng
https://dx.doi.org/10.21228/M82X5Q
ftp://www.metabolomicsworkbench.org/Studies/ application/zip

Select appropriate tab below to view additional metadata details:

Project:

Project ID:PR001792
Project DOI:doi: 10.21228/M82X5Q
Project Title:Identifying Biodegradation Pathways of Cetrimonium Bromide (CTAB)
Project Summary:We combined metabolome and metagenome to analyze the CTAB biodegradation pathways.
Institute:Arizona State University
Last Name:Zheng
First Name:Chenwei
Address:Arizona State University, Tempe Campus
Email:czheng28@asu.edu
Phone:4802804450

Subject:

Subject ID:SU002981
Subject Type:Water sample

Factors:

Subject type: Water sample; Subject species: - (Factor headings shown in green)

mb_sample_id local_sample_id Treatment
SA313063MR_A3A
SA313064PP_A2A
SA313065MR_A1A
SA313066MR_A2A
SA313067PP_A1A
SA313068PP_A3A
SA313069PP_B2B
SA313070PP_B1B
SA313071PP_B3B
SA313072MR_B3B
SA313073MR_B2B
SA313074MR_B1B
SA313075MR_C3C
SA313076PP_C1C
SA313077MR_C4C
SA313078PP_C3C
SA313079MR_C2C
SA313080MR_C1C
SA313081PP_C2C
SA313082PP_D2D
SA313083MR_D1D
SA313084PP_D3D
SA313085MR_D3D
SA313086PP_D1D
SA313087MR_D2D
Showing results 1 to 25 of 25

Collection:

Collection ID:CO002974
Collection Summary:Bacteria was grown in the medium containing CTAB. The water sample was collected with a syringe and filtered for storage.
Sample Type:Bacterial cells

Treatment:

Treatment ID:TR002990
Treatment Summary:Reactors are set under different conditions: composite membrane (MR) or polypropylene membrane (PP). The biofilms were treated under different conditions: A: with "160mg/L CTAB + 3g/L NH4+, low O2 pressure", B: "160mg/L CTAB + 3g/L NH4+, high O2 pressure", C:" 160mg/L CTAB, high O2 pressure", D:"400mg/L CTAB, high O2 pressure".

Sample Preparation:

Sampleprep ID:SP002987
Sampleprep Summary:Liquid samples were filtered and stored in refrigerator before assay. Each sample was injected twice: 10 µL for analysis using negative ionization mode and 4 µL for analysis using positive ionization mode

Combined analysis:

Analysis ID AN004702 AN004703
Analysis type MS MS
Chromatography type HILIC HILIC
Chromatography system Agilent 1290 Agilent 1290
Column Waters XBridge BEH Amide (150 x 2.1 mm, 2.5um) Waters XBridge BEH Amide (150 x 2.1 mm, 2.5um)
MS Type ESI ESI
MS instrument type Triple quadrupole Triple quadrupole
MS instrument name Agilent 6490 QQQ Agilent 6490 QQQ
Ion Mode POSITIVE NEGATIVE
Units counts per second counts per second

Chromatography:

Chromatography ID:CH003541
Chromatography Summary:LC-MS/MS platform (Agilent 1290 UPLC-6490 QQQ-MS)
Instrument Name:Agilent 1290
Column Name:Waters XBridge BEH Amide (150 x 2.1 mm, 2.5um)
Column Temperature:40
Flow Gradient:After the initial 1-min isocratic elution of 90% B, the percentage of Solvent B was gradually decreased to 40% at t = 11 min. The composition of Solvent B was maintained at 40% for 4 min (t=15 min), and then the percentage of B gradually went back to 90%, to prepare for the next injection.
Flow Rate:0.3 mL/min
Solvent A:10 mM ammonium acetate, 10 mM ammonium hydroxide in 95% H2O/5% acetonitrile
Solvent B:10 mM ammonium acetate, 10 mM ammonium hydroxide in 95% acetonitrile/5% H2O
Chromatography Type:HILIC

MS:

MS ID:MS004448
Analysis ID:AN004702
Instrument Name:Agilent 6490 QQQ
Instrument Type:Triple quadrupole
MS Type:ESI
MS Comments:LC-MS/MS
Ion Mode:POSITIVE
  
MS ID:MS004449
Analysis ID:AN004703
Instrument Name:Agilent 6490 QQQ
Instrument Type:Triple quadrupole
MS Type:ESI
MS Comments:LC-MS/MS
Ion Mode:NEGATIVE
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