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.
| Study ID | ST002869 |
| Study Title | Identifying Biodegradation Pathways of Cetrimonium Bromide (CTAB) Using Metagenome, Metatranscriptome, and Metabolome Tri-omics Integration |
| Study Summary | Traditional 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 Name | Zheng |
| First Name | Chenwei |
| Address | Arizona State University, Tempe Campus |
| czheng28@asu.edu | |
| Phone | 4802804450 |
| Submit Date | 2023-09-05 |
| Raw Data Available | Yes |
| Raw Data File Type(s) | d |
| Analysis Type Detail | LC-MS |
| Release Date | 2023-09-22 |
| Release Version | 1 |
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 |
|---|---|---|
| SA313063 | MR_A3 | A |
| SA313064 | PP_A2 | A |
| SA313065 | MR_A1 | A |
| SA313066 | MR_A2 | A |
| SA313067 | PP_A1 | A |
| SA313068 | PP_A3 | A |
| SA313069 | PP_B2 | B |
| SA313070 | PP_B1 | B |
| SA313071 | PP_B3 | B |
| SA313072 | MR_B3 | B |
| SA313073 | MR_B2 | B |
| SA313074 | MR_B1 | B |
| SA313075 | MR_C3 | C |
| SA313076 | PP_C1 | C |
| SA313077 | MR_C4 | C |
| SA313078 | PP_C3 | C |
| SA313079 | MR_C2 | C |
| SA313080 | MR_C1 | C |
| SA313081 | PP_C2 | C |
| SA313082 | PP_D2 | D |
| SA313083 | MR_D1 | D |
| SA313084 | PP_D3 | D |
| SA313085 | MR_D3 | D |
| SA313086 | PP_D1 | D |
| SA313087 | MR_D2 | D |
| 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 |
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 |
Analysis:
| Analysis ID: | AN004702 |
| Analysis Type: | MS |
| Chromatography ID: | CH003541 |
| Num Factors: | 4 |
| Num Metabolites: | 171 |
| Rt Units: | Minutes |
| Units: | counts per second |
| Analysis ID: | AN004703 |
| Analysis Type: | MS |
| Chromatography ID: | CH003541 |
| Num Factors: | 4 |
| Num Metabolites: | 132 |
| Rt Units: | Minutes |
| Units: | counts per second |
