Project description:Biosynthetic and chemical datasets are the two major pillars for microbial drug discovery in the omics era. Despite the advancement of analysis tools and platforms for multi-strain metabolomics and genomics, linking these information sources remains a considerable bottleneck in strain prioritisation and natural product discovery. In this study, molecular networking of the 100 metabolite extracts derived from applying the OSMAC approach to 25 Polar bacterial strains, showed growth media specificity and potential chemical novelty was suggested. Moreover, the metabolite extracts were screened for antibacterial activity and promising selective bioactivity against drug-persistent pathogens such as Klebsiella pneumoniae and Acinetobacter baumannii was observed. Genome sequencing data were combined with metabolomics experiments in the recently developed computational approach, NPLinker, which was used to link BGC and molecular features to prioritise strains for further investigation based on biosynthetic and chemical information. Herein, we putatively identified the known metabolites ectoine and chrloramphenicol which, through NPLinker, were linked to their associated BGCs. The metabologenomics approach followed in this study can potentially be applied to any large microbial datasets for accelerating the discovery of new (bioactive) specialised metabolites.
Project description:Bacillus strains grown in LB media. Metabolite extraction from the cells was performed using 100% methanol at different growth stages.
Project description:This project explores dietary proteins in human dental calculus through shotgun proteomics. These files are in addition to those accidentally not included in the original publication, Dairying enabled Early Bronze Age Yamnaya steppe expansions . DOI https://doi.org/10.1038/s41586-021-03798-4. Files include raw, mgf, and mzid files from the two Botai individuals: DA092 (Botai 2A), DA089 (CII(3) 30-40), and additional files from Russian sites: DA431, DA431 (Lebyazhinka 5, LEB N-0), Z333 (Khvalynsk 2, KHA2 N-12), and Z444 (Murziha 2, MUR2 N-128) as well as the blanks used in the experiments. It also inlcludes the corresponding files for DA436, as in the previous upload an under-injected sample was included as the MDF.
Project description:Arabidopsis Col-0 seeds were germinated and grown for two weeks on Arabidopsis thaliana salt media (ATS, control) or ATS media supplemented 50, 75, 100 or 125 mM NaCl that imposes both an ionic and osmotic stress; or ATS media supplemented with iso-osmolar concentrations of sorbitol (100, 150, 200 or 250 mM) that imposes only an osmotic stress. The aim of the study was to identify genes involved in plant growth and adaptation to ionic stress compared to genes involved in growth and adaptation to osmotic stress conditions. To do this we identified lists of genes that are differentially expressed in plants grown in NaCl (A) and lists of genes differentially expressed in plants grown in sorbitol (B). We then compared these lists to find ionic/salt-specific genes that are only expressed in plants grown in NaCl and not in plants grown in sorbitol; and osmotic genes that are expressed both in plants grown in NaCl and in plants grown in sorbitol. Associated publication: Cackett et al. (2022) Salt-specific gene expression reveals elevated auxin levels in Arabidopsis thaliana plants grown under saline conditions, DOI: 10.3389/fpls.2022.804716
Project description:This dataset contains several sponge-derived bacteria, along with data from the sponges to enable the assignation of the biosynthetic source of detected metabolite features. Media controls and solvent blanks are also included. Please see metadata for the bacterial source sponge.
Project description:This dataset consists of 33 raw MS files, an associated peak list and result file, acquired on an Q Exactive plus mass spectrometer operated in Data Dependent Acquisition mode. The files are associated with a manuscript submitted for publication. Publication title: " Expression of transport proteins in the rete mirabile of European silver and yellow eel " The swimbladder rete mirabile is known for its highly efficient countercurrent concentrating ability, allowing for the generation of hyperbaric oxygen partial pressures in the range of several 10th or even more than 100 atmospheres. The transcapillary exchange between venous and arterial capillaries is often explained by passive diffusion and hydraulic (osmotic) transport. The reported countercurrent concentration of lactate ions, however, raises the possibility that specific transport proteins contribute to the countercurrent concentrating ability of the rete. We therefore analyzed the transcriptome as well as the proteome of rete capillaries of the European eel. The results clearly show the presence of a large number of membrane transport proteins in the transcriptome as well as in the proteome. ATP required to energize ion and metabolite transport can be generated in the aerobic metabolism. A high ROS defense capacity is established in rete endothelial cells, probably connected to the hyperbaric oxygen partial pressures, generated in the rete by back-diffusion of oxygen.
Project description:We wanted to find out the transcriptomic response of growth-arrested Cryptococcus yeast cells when initially placed in environments in which they could reactivate or "wake up", focusing on the difference between a rich microbial media (YPD) and a common cell culture media, RPMI + 10% heat-inactivated fetal calf serum. Please contact Edward.Wallace@ed.ac.uk if you use this data and ask for citation information; we are currently (August 2020) working on a publication.
Project description:Global transcriptional profiling of Bacillus subtilis cells comparing wild-type to a ccpN (yqzB) non polar mutant. Abstract of associated publication (article accepted): The transcriptional regulator CcpN of Bacillus subtilis has been recently characterized as a repressor of two gluconeogenic genes, gapB and pckA, and of a small non-coding regulatory RNA, sr1, involved in arginine catabolism. Deletion of ccpN impairs growth on glucose and strongly alters the distribution of intracellular fluxes, rerouting the main glucose catabolism from glycolysis to the pentose phosphate (PP) pathway. Using transcriptome analysis, we show that during growth on glucose, gapB and pckA are the only protein-coding genes directly repressed by CcpN. By quantifying intracellular fluxes in deletion mutants, we demonstrate that derepression of pckA under glycolytic condition causes the growth defect observed in the ccpN mutant due to extensive futile cycling through the pyruvate carboxylase, phosphoenolpyruvate carboxykinase, and pyruvate kinase. Beyond ATP dissipation via this cycle, PckA activity causes a drain on tricarboxylic acid cycle intermediates, which we show to be the main reason for the reduced growth of a ccpN mutant. The high flux through the PP pathway in the ccpN mutant is modulated by the flux through the alternative glyceraldehyde-3-phosphate dehydrogenases, GapA and GapB. Strongly increased concentrations of intermediates in upper glycolysis indicate that GapB overexpression causes a metabolic jamming of this pathway and, consequently, increases the relative flux through the PP pathway. In contrast, derepression of sr1, the third known target of CcpN, plays only a marginal role in ccpN mutant phenotypes.
Project description:<p>Urine metabolomics is widely used for biomarker research in the fields of medicine and toxicology. As a consequence, characterization of the variations of the urine metabolome under basal conditions becomes critical in order to avoid confounding effects in cohort studies. Such physiological information is however very scarce in the literature and in metabolomics databases so far. Here we studied the influence of age, body mass index (BMI), and gender on metabolite concentrations in a large cohort of 183 adults by using liquid chromatography coupled with high-resolution mass spectrometry (LC-HRMS). We implemented a comprehensive statistical workflow for univariate hypothesis testing and modeling by orthogonal partial least-squares (OPLS).</p><p> This repository contains the data set from the negative ionization mode: 2 batches, 234 files (24 blanks + 26 QCs + 184 samples) in the Thermo .RAW (6.8 Go) and .mzML (18 Go) formats. The comprehensive analysis of this data set is publicly available on the Workflow4metabolomics.org e-infrastructure with two reference histories: 'W4M00002_Sacurine-comprehensive' corresponds to the preprocessing of the .mzML files, followed by signal drift and batch effect correction, normalization, filtering, statistics, and annotation of the peak table; 'W4M00001_Sacurine- statistics' starts with the peak table restricted to the 113 identified metabolites (see Roux et al. [1] for a full description and information about the annotation), and contains the statistical analysis (as described in associated publication except that the publication also describes the positive ionization mode). The intensities of the table provided in the m_sacurine.txt ISA file correspond to the peak table restricted to the 113 identified metabolites (i.e. are identical to the input of the 'W4M00001_Sacurine-statistics' history). Note that in both histories, the HU_096 sample is filtered out during the Hotelling/Quantile/MissingValue quality control sample filter, leading to 183 samples for the subsequent statistical analyzes. Notes: The 'sampling' field indicates the 9 successive weeks during which samples were collected. The 'subset' field indicates a subset of 36 files (6 blanks + 10 QCs + 20 samples) which still contain significant physiological variations (and can be used as e.g. demo or teaching material).</p><p> Acknowledgements: The authors are grateful to Philippe Rocca-Serra for his help in preparing the ISA files.</p><p><br></p><p> References:</p><p> [1] Roux A, Xu Y, Heilier JF, Olivier MF, Ezan E, Tabet JC, Junot C. 2012. Annotation of the Human Adult Urinary Metabolome and Metabolite Identification Using Ultra High Performance Liquid Chromatography Coupled to a Linear Quadrupole Ion Trap-Orbitrap Mass Spectrometer. Anal Chem. Aug 7;84(15):6429-37. doi: 10.1021/ac300829f.</p>