Addressing big data challenges in mass spectrometry-based metabolomics

J Guo, H Yu, S Xing, T Huan - Chemical Communications, 2022 - pubs.rsc.org
Advancements in computer science and software engineering have greatly facilitated mass
spectrometry (MS)-based untargeted metabolomics. Nowadays, gigabytes of metabolomics …

Management and treatment outcomes of rheumatoid arthritis in the era of biologic and targeted synthetic therapies: evaluation of 10-year data from the KURAMA …

T Fujii, K Murata, H Onizawa, A Onishi… - Arthritis Research & …, 2024 - Springer
Background Advances in rheumatoid arthritis (RA) treatment, highlighted by biological
disease-modifying antirheumatic drugs (bDMARDs) and targeted synthetic DMARDs …

Data processing solutions to render metabolomics more quantitative: case studies in food and clinical metabolomics using Metabox 2.0

K Wanichthanarak, A In-On, S Fan, O Fiehn… - …, 2024 - academic.oup.com
In classic semiquantitative metabolomics, metabolite intensities are affected by biological
factors and other unwanted variations. A systematic evaluation of the data processing …

[HTML][HTML] Integrative LC-MS and GC-MS metabolic profiling unveils dynamic changes during barley malting

H Rani, SJ Whitcomb - Food Chemistry, 2025 - Elsevier
Malting involves complex biochemical transformations affecting sensory and quality
attributes. Despite extensive research on storage carbohydrates and proteins in malting, the …

Concordance-based batch effect correction for large-scale metabolomics

F Guo, G Lin, L Dong, KK Cheng, L Deng… - Analytical …, 2023 - ACS Publications
For a large-scale metabolomics study, sample collection, preparation, and analysis may last
several days, months, or even (intermittently) over years. This may lead to apparent batch …

Exploring clinical chemistry markers in amyotrophic lateral sclerosis: insights into survival and disease trajectories

I Psychogios, Y Hu, C Seitz, EE Joyce, A Lovik… - Journal of …, 2025 - Springer
Objective Commonly measured clinical chemistry markers might be indicative of survival
and disease progression in amyotrophic lateral sclerosis (ALS). Methods In a cohort study of …

The Impact of 90 Parkinson's Disease-Risk Single Nucleotide Polymorphisms on Urinary Bis (monoacylglycerol) phosphate Levels in the Prodromal and PD Cohorts

S Fang, PAH Lee, Z Wang, B Zhao - International Journal of Molecular …, 2024 - mdpi.com
Parkinson's disease (PD) is a common neurodegenerative disorder with a prolonged
prodromal phase. Higher urinary bis (monoacylglycerol) phosphate (BMP) levels associate …

Lipoprotein Combine Index as a Better Marker for NAFLD Identification Than Traditional Lipid Parameters

J Qiu, X Huang, M Kuang, R Yang, J Li… - Diabetes, Metabolic …, 2024 - Taylor & Francis
Purpose The association between traditional lipid parameters and non-alcoholic fatty liver
disease (NAFLD) has been extensively discussed. This study aims to evaluate and compare …

[HTML][HTML] Immune cells and the trajectories of depression, anxiety, and cognitive function among people with amyotrophic lateral sclerosis

Y Hu, E Deeba, U Kläppe, L Öijerstedt… - Brain, Behavior, & …, 2024 - Elsevier
Background Amyotrophic lateral sclerosis (ALS) represents a complex syndrome
characterized by motor, psychiatric, and cognitive symptoms, where associations between …

Optimization of serum samples derivatization process by I-Optimal Split-plot design of experiments for GC–MS metabolomics of inflammatory neuropathies

HR Zamora-Obando, V de Paula Andrade… - Microchemical …, 2024 - Elsevier
The derivatization process is critical in gas chromatography coupled to mass spectrometry-
based untargeted metabolomics. This process aims to increase common non-volatile …