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Biology subjects

Burla, B.

Publications and source records attributed to Burla, B..

4 recordsLinked to original sources

mzQC: a versatile way to communicate quality information for biological mass spectrometry

Reliable quality control (QC) is essential for reproducible biological mass spectrometry, yet QC information is still typically stored in tool-specific, poorly interoperable formats that hinder comparison, reuse, and transparent reporting. We present mzQC, a community-developed standard from the HUPO Proteomics Standards Initiative for the compact, machine-readable representation of QC metrics and their associated metadata across mass spectrometry workflows. mzQC is implemented in JSON, organized to support both individual mass spectrometry acquisitions and collections thereof, with formal QC metrics definitions supported by controlled vocabularies to ensure unambiguous metric interpretation and semantic consistency. The format is supported by validation tools and reference libraries in Python, R, and Java, facilitating integration into existing software ecosystems. We demonstrate the utility of mzQC across diverse analytical modalities and QC settings, spanning longitudinal instrument monitoring, acquisition-method evaluation, study-level quality assessment, repository-scale data characterization, and spatially resolved mass spectrometry imaging. Together, these use cases show that mzQC provides not merely a file format, but a shared foundation for interoperable QC reporting, large-scale data assessment, and more rigorous, reproducible, and reusable mass spectrometry-based research.

bioinformatics↗

MRMhub: one-stop solution for automated processing of large-scale targeted metabolomics data

Data processing and quality control are essential for complex targeted mass spectrometry (MS) assays in large-scale metabolomics studies. However, existing software solutions have significant gaps in robustness and scalability. We report MRMhub, a one-stop solution for streamlined processing of large-scale targeted MS data. MRMhub consists of a novel peak integration engine with unique algorithmic design to address the scalability challenge and a comprehensive collection of post-acquisition data processing and analytical quality control tools. The ensemble facilitates rapid and consistent processing of complex chromatograms, quantification, drift and batch correction, quality assessment and control, feature filtering, and data/workflow sharing and reporting. MRMhub can process data from highly complex assays in population-scale studies within minutes, with full digital footprints warranting reproducibility and traceability. We demonstrate its performance using two large-scale lipidomics data sets. We distribute the source code and data sets freely for community development.

bioinformatics↗

Developmental and Intergenerational Landscape of Human Circulatory Lipidome and its Association with Obesity Risk

Lipids play a vital role in human health and development, but changes to their circulatory levels during gestation and in early life are poorly understood. Here we present the first developmental and intergenerational landscape of the human circulatory lipidome, derived by profiling of 480 lipid species representing 25 lipid classes, in mothers and their offspring (n=2491). Levels of 66% of the profiled lipids increased in maternal circulation during gestation, while cord blood had higher concentrations of acylcarnitines and lysophospholipids. The offspring lipidome at age six years revealed striking similarities with postnatal maternal lipidome (adult) in its lipid composition and concentrations. Comparison of lipids associated with child and maternal adiposity identified a 92% overlap, implying intergenerational similarities in the lipid signatures of obesity risk. We also catalogued lipid signatures linked with maternal adiposity during gestation and offspring birthweight, and validated (>70% overlap) the findings in an independent birth-cohort (n=1935).

systems biology↗

SmartPeak automates targeted and quantitative metabolomics data processing

SmartPeak is an application that encapsulates advanced algorithms to enable fast, accurate, and automated processing of CE-, GC- and LC-MS(/MS) data, and HPLC data for targeted and semi-targeted metabolomics, lipidomics, and fluxomics experiments. HighlightsO_LINovel algorithms for retention time alignment, calibration curve fitting, and peak integration C_LIO_LIEnables reproducibility by reducing operator bias and ensuring high QC/QA C_LIO_LIAutomated pipeline for high throughput targeted and/or quantitative metabolomics, lipidomics, and fluxomics data processing from multiple analytical instruments C_LIO_LIManually curated data set of LC-MS/MS, GC-MS, and HPLC integrated peaks for further algorithm development and benchmarking C_LI

bioinformatics↗