Summary of study ST001351

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 PR000921. The data can be accessed directly via it's Project DOI: 10.21228/M8N698 This work is supported by NIH grant, U2C- DK119886.

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Study IDST001351
Study TitleNMR Metabolomic Analysis of Bacterial Resistance Pathways Using Multivalent Quaternary Ammonium Functionalized Macromolecules
Study TypeNMR Hydrophilic Metabolomics
Study SummaryMultivalent antimicrobial dendrimers are an exciting new system that is being developed to address the growing problem of drug resistant bacteria. Nuclear Magnetic Resonance (NMR) metabolomics is a quantitative and reproducible method for the determination of bacterial response to environmental stressors and for visualization of perturbations to biochemical pathways. NMR metabolomics is used to elucidate metabolite differences between wild type and antimicrobially mutated Escherichia coli (E. coli) samples. Proton (1H) NMR hydrophilic metabolite analysis was conducted on samples of E. coli after 33 growth cycles of a minimum inhibitory challenge to E. coli by poly(amidoamine) dendrimers functionalized with mannose and with C16-DABCO quaternary ammonium endgroups and compared to the metabolic profile of wild type E. coli. The wild type and mutated E. coli samples were separated into distinct sample sets by hierarchical clustering, principal component analysis (PCA) and sparse partial least squares discriminate analysis (sPLS-DA). Metabolite components of membrane fortification and energy related pathways had a significant p-value and fold change between the wild type and mutated E. coli. Amino acids commonly associated with membrane fortification from cationic antimicrobials, such as lysine, were found to have a higher concentration in the mutated E. coli than the wild type E. coli. N-acetylglucosamine, a major component of peptidoglycan synthesis, was found to have a 25 fold higher concentration in the mid log phase of the mutated E. coli than the mid log phase of the wild type.The metabolic profile suggests that E. coli change their peptidoglycan composition in order to garner protection from the highly positively charged and multivalent C16-DABCO and mannose functionalized dendrimer.
Institute
Montana State University
DepartmentChemistry and Biochemistry
LaboratoryCloninger
Last NameAries
First NameMichelle
AddressDepartment of Chemistry and Biochemistry, Montana State University, Bozeman, MT, 59717 USA
Emailmichelle.aries@montana.edu
Phone4069943051
Submit Date2020-03-20
Analysis Type DetailNMR
Release Date2021-04-21
Release Version1
Michelle Aries Michelle Aries
https://dx.doi.org/10.21228/M8N698
ftp://www.metabolomicsworkbench.org/Studies/ application/zip

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Project:

Project ID:PR000921
Project DOI:doi: 10.21228/M8N698
Project Title:NMR Metabolomic Analysis of Bacterial Resistance Pathways Using Multivalent Quaternary Ammonium Functionalized Macromolecules
Project Type:NMR Hydrophilic Metabolomic Analysis
Project Summary:Multivalent antimicrobial dendrimers are an exciting new system that is being developed to address the growing problem of drug resistant bacteria. Nuclear Magnetic Resonance (NMR) metabolomics is a quantitative and reproducible method for the determination of bacterial response to environmental stressors and for visualization of perturbations to biochemical pathways. NMR metabolomics is used to elucidate metabolite differences between wild type and antimicrobially mutated Escherichia coli (E. coli) samples. Proton (1H) NMR hydrophilic metabolite analysis was conducted on samples of E. coli after 33 growth cycles of a minimum inhibitory challenge to E. coli by poly(amidoamine) dendrimers functionalized with mannose and with C16-DABCO quaternary ammonium endgroups and compared to the metabolic profile of wild type E. coli. The wild type and mutated E. coli samples were separated into distinct sample sets by hierarchical clustering, principal component analysis (PCA) and sparse partial least squares discriminate analysis (sPLS-DA). Metabolite components of membrane fortification and energy related pathways had a significant p-value and fold change between the wild type and mutated E. coli. Amino acids commonly associated with membrane fortification from cationic antimicrobials, such as lysine, were found to have a higher concentration in the mutated E. coli than the wild type E. coli. N-acetylglucosamine, a major component of peptidoglycan synthesis, was found to have a 25 fold higher concentration in the mid log phase of the mutated E. coli than the mid log phase of the wild type. The metabolic profile suggests that E. coli change their peptidoglycan composition in order to garner protection from the highly positively charged and multivalent C16 DABCO and mannose functionalized dendrimer.
Institute:Montana State University
Department:Chemistry and Biochemistry
Laboratory:Cloninger
Last Name:Aries
First Name:Michelle
Address:Department of Chemistry and Biochemistry, Montana State University, Bozeman, MT, 59717 USA
Email:michelle.aries@montana.edu
Phone:4069943051

Subject:

Subject ID:SU001425
Subject Type:Bacteria
Subject Species:Escherichia coli
Taxonomy ID:562
Genotype Strain:ATCC 25922

Factors:

Subject type: Bacteria; Subject species: Escherichia coli (Factor headings shown in green)

mb_sample_id local_sample_id Genotype Phase
SA098087Mut _ML_6Mutant Mid Log
SA098088Mut _ML_4Mutant Mid Log
SA098089Mut _ML_2Mutant Mid Log
SA098090Mut _ML_7Mutant Mid Log
SA098091Mut _ML_8Mutant Mid Log
SA098092Mut _ML_10Mutant Mid Log
SA098093Mut _ML_9Mutant Mid Log
SA098094Mut _ML_1Mutant Mid Log
SA098095Mut _ML_3Mutant Mid Log
SA098096Mut_S_3Mutant Stationary
SA098097Mut_S_1Mutant Stationary
SA098098Mut_S_7Mutant Stationary
SA098099Mut_S_12Mutant Stationary
SA098100Mut_S_2Mutant Stationary
SA098101Mut_S_10Mutant Stationary
SA098102Mut_S_9Mutant Stationary
SA098103Mut_S_8Mutant Stationary
SA098104WT_ML_2Wild Type Mid Log
SA098105WT_ML_3Wild Type Mid Log
SA098106WT_ML_7Wild Type Mid Log
SA098107WT_ML_1Wild Type Mid Log
SA098108WT_ML_8Wild Type Mid Log
SA098109WT_ML_6Wild Type Mid Log
SA098110WT_ML_13Wild Type Mid Log
SA098111WT_ML_9Wild Type Mid Log
SA098112WT_ML_10Wild Type Mid Log
SA098113WT_ML_12Wild Type Mid Log
SA098114WT_ML_11Wild Type Mid Log
SA098115WT_S_2Wild Type Stationary
SA098116WT_S_6Wild Type Stationary
SA098117WT_S_1Wild Type Stationary
SA098118WT_S_10Wild Type Stationary
SA098119WT_S_9Wild Type Stationary
SA098120WT_S_7Wild Type Stationary
SA098121WT_S_5Wild Type Stationary
Showing results 1 to 35 of 35

Collection:

Collection ID:CO001420
Collection Summary:Samples were collected in the mid log and stationary phases, washed with cold PBS, frozen at -80 ÂșC. Please see attached PDF for detailed procedures.
Sample Type:Bacterial cells

Treatment:

Treatment ID:TR001440
Treatment Summary:The samples were not treated with anything. I collected the samples then extracted the hydrophilic metabolites, placed them in an NMR buffer then ran them on the NMR. All these procedures were uploaded.

Sample Preparation:

Sampleprep ID:SP001433
Sampleprep Summary:The hydrophilic metabolites were extracted, the samples were added to an NMR buffer, run on the NMR and profiled, standardized to their concentrations and analyzed. See uploaded protocol for more details.

Analysis:

Analysis ID:AN002247
Analysis Type:NMR
Num Factors:4
Num Metabolites:31
Units:mM

NMR:

NMR ID:NM000162
Analysis ID:AN002247
Instrument Name:Buker Avance III
Instrument Type:FT-NMR
NMR Experiment Type:1D-1H
Spectrometer Frequency:600 MHz
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