Summary of Study ST001966

This data is available at the NIH Common Fund's National Metabolomics Data Repository (NMDR) website, the Metabolomics Workbench,, where it has been assigned Project ID PR001252. The data can be accessed directly via it's Project DOI: 10.21228/M8W423 This work is supported by NIH grant, U2C- DK119886.


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 IDST001966
Study TitleNMR Hydrophilic Metabolomic Analysis of Bacterial Resistance Pathways using Multivalent Antimicrobials with Challenged and Unchallenged Wild Type and Mutated Gram Positive Bacteria
Study TypeNMR Hydrophilic Metabolomics
Study SummaryMultivalent membrane disruptors are a relatively new antimicrobial scaffold that are difficult for bacteria to develop resistance to and can act on both gram-positive and gram-negative bacteria. Nuclear Magnetic Resonance (NMR) metabolomics is an important method for studying resistance development in bacteria since it is both a quantitative and qualitative method to study and identify phenotypes by changes in metabolic pathways. Determine the likely metabolic differences between antimicrobially challenged and unchallenged growth and wild type and antimicrobially mutated Bacillus cereus (B. cereus) samples by using NMR hydrophilic metabolomics. Proton (1H) NMR hydrophilic metabolite analysis was conducted using B. cereus wild type and B. cereus that was mutated with C16-DABCO and mannose functionalized poly(amidoamine) dendrimers (DABCOMD). Both the wild type and the mutated sample types were grown in low levels of DABCOMD (challenged samples) or without the addition of DABCOMD to the growth media (unchallenged samples) for sample collection at the mid log and stationary phases and for growth curve procurement. Hierarchical clustering of only the challenged sample type showed that both the stationary phase sample types (mutant and wild type) clustered together while the both the mid log phase sample types were distinct. Hierarchical clustering of the unchallenged samples showed complete separation of all sample types. There were statistically significant (p-value and fold change) changes in the concentrations of metabolites in both energy related pathways and peptidoglycan synthesis between all sample types, especially with mutants and especially the challenged sample types have more N-acetylglucosamine (as much as a 94.2-fold increase). The mid log phase sample types showed a larger difference between sample types than their stationary phase counter parts. The challenged and unchallenged mutant samples showed a larger difference between sample types in comparison to the differences between the challenged and unchallenged wild type sample types. There was a larger metabolite difference when comparing the challenged mutant samples to the challenged wild type samples than when comparing the unchallenged mutant samples to the unchallenged wild type samples. The metabolomic analysis of wild type and multivalent DABCOMD mutated B. cereus under both challenged and unchallenged conditions indicated that the mutants, especially the challenged mutants, are likely changing their peptidoglycan layer to protect themselves from the high positive charge on the membrane disrupting DABCOMD. This membrane fortification most likely led to the slow growth curve of the mutated and especially the challenged mutant samples. The association of these sample types with metabolites associated with energy expenditure is attributed to the increased energy required for these changes to occur as well as to the decreased diffusion of nutrients across the membrane.
Montana State University
DepartmentChemistry and Biochemistry
LaboratoryDr. Mary Cloninger
Last NameAries
First NameMichelle
Address103 Chemistry and Biochemistry Building
Submit Date2021-11-09
Raw Data AvailableYes
Raw Data File Type(s)fid
Analysis Type DetailNMR
Release Date2022-11-10
Release Version1
Michelle Aries Michelle Aries application/zip

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Subject type: Bacteria; Subject species: Bacillus cereus (Factor headings shown in green)

mb_sample_id local_sample_id Genotype Growth Phase Treatment
SA184894Mut_3_60Mutant Mid Log DABCOMD
SA184895Mut_3_57Mutant Mid Log DABCOMD
SA184896Mut_3_61Mutant Mid Log DABCOMD
SA184897Mut_3_58Mutant Mid Log DABCOMD
SA184898Mut_3_63Mutant Mid Log DABCOMD
SA184899Mut_3_64Mutant Mid Log DABCOMD
SA184900Mut_1_100Mutant Mid Log None
SA184901Mut_1_99Mutant Mid Log None
SA184902Mut_1_101Mutant Mid Log None
SA184903Mut_1_175Mutant Mid Log None
SA184904Mut_1_10Mutant Mid Log None
SA184905Mut_1_102Mutant Mid Log None
SA184906Mut_1_11Mutant Mid Log None
SA184907Mut_4_82Mutant Stationary DABCOMD
SA184908Mut_4_81Mutant Stationary DABCOMD
SA184909Mut_4_84Mutant Stationary DABCOMD
SA184910Mut_4_83Mutant Stationary DABCOMD
SA184911Mut_4_85Mutant Stationary DABCOMD
SA184912Mut_4_86Mutant Stationary DABCOMD
SA184913Mut_2_113Mutant Stationary None
SA184914Mut_2_114Mutant Stationary None
SA184915Mut_2_115Mutant Stationary None
SA184916Mut_2_111Mutant Stationary None
SA184917Mut_2_112Mutant Stationary None
SA184918WT_3_43Wild-type Mid Log DABCOMD
SA184919WT_3_9Wild-type Mid Log DABCOMD
SA184920WT_3_45Wild-type Mid Log DABCOMD
SA184921WT_3_44Wild-type Mid Log DABCOMD
SA184922WT_3_42Wild-type Mid Log DABCOMD
SA184923WT_3_46Wild-type Mid Log DABCOMD
SA184924WT_1_4Wild-type Mid Log None
SA184925WT_1_2Wild-type Mid Log None
SA184926WT_1_5Wild-type Mid Log None
SA184927WT_1_1Wild-type Mid Log None
SA184928WT_1_6Wild-type Mid Log None
SA184929WT_4_70Wild-type Stationary DABCOMD
SA184930WT_4_69Wild-type Stationary DABCOMD
SA184931WT_4_67Wild-type Stationary DABCOMD
SA184932WT_4_68Wild-type Stationary DABCOMD
SA184933WT_4_65Wild-type Stationary DABCOMD
SA184934WT_2_22Wild-type Stationary None
SA184935WT_2_173Wild-type Stationary None
SA184936WT_2_27Wild-type Stationary None
SA184937WT_2_25Wild-type Stationary None
SA184938WT_2_23Wild-type Stationary None
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