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View article: Metabolomics analysis of plasma samples of patients with fibromyalgia and electromagnetic sensitivity using GC–MS technique
Metabolomics analysis of plasma samples of patients with fibromyalgia and electromagnetic sensitivity using GC–MS technique Open
Fibromyalgia (FM) is a chronic and systemic condition that causes widespread chronic pain, asthenia, and muscle stiffness, as well as in some cases depression, anxiety, and disorders of the autonomic system. The exact causes that lead to t…
View article: Pathway‐based integration of multi‐omics data reveals lipidomics alterations validated in an Alzheimer's disease mouse model and risk loci carriers
Pathway‐based integration of multi‐omics data reveals lipidomics alterations validated in an Alzheimer's disease mouse model and risk loci carriers Open
Alzheimer's disease (AD) is a highly prevalent neurodegenerative disorder. Despite increasing evidence of the importance of metabolic dysregulation in AD, the underlying metabolic changes that may impact amyloid plaque formation are not un…
View article: Metabolome-wide association study on <i>ABCA7</i> indicates a role of ceramide metabolism in Alzheimer’s disease
Metabolome-wide association study on <i>ABCA7</i> indicates a role of ceramide metabolism in Alzheimer’s disease Open
Genome-wide association studies (GWASs) have identified genetic loci associated with the risk of Alzheimer’s disease (AD), but the molecular mechanisms by which they confer risk are largely unknown. We conducted a metabolome-wide associati…
View article: Pathway-based integration of multi-omics data reveals lipidomics alterations validated in an Alzheimer’s Disease mouse model and risk loci carriers
Pathway-based integration of multi-omics data reveals lipidomics alterations validated in an Alzheimer’s Disease mouse model and risk loci carriers Open
Alzheimer’s Disease (AD) is a highly prevalent neurodegenerative disorder. Despite increasing evidence of important metabolic dysregulation in AD, the underlying metabolic changes that may impact amyloid plaque formation are not understood…
View article: Metabolome-wide association study on <i>ABCA7</i> demonstrates a role for ceramide metabolism in impaired cognitive performance and Alzheimer’s disease
Metabolome-wide association study on <i>ABCA7</i> demonstrates a role for ceramide metabolism in impaired cognitive performance and Alzheimer’s disease Open
Genome-wide association studies (GWAS) have identified genetic loci associated with risk of Alzheimer’s disease (AD), but underlying mechanisms are largely unknown. We conducted a metabolome-wide association study (MWAS) of AD-associated l…
View article: Metabolic Alteration in Plasma and Biopsies From Patients With IBD
Metabolic Alteration in Plasma and Biopsies From Patients With IBD Open
Background Inflammatory bowel diseases (IBD) are chronic inflammatory disorders of the gastrointestinal tract, with periods of latency alternating with phases of exacerbation, and include 2 forms: Crohn disease (CD) and ulcerative colitis …
View article: The consequences of lipid remodelling of adipocyte cell membranes being functionally distinct from global lipid storage during obesity
The consequences of lipid remodelling of adipocyte cell membranes being functionally distinct from global lipid storage during obesity Open
Obesity is a complex disorder where the genome interacts with diet and environmental factors to ultimately influence body mass, composition and shape. Numerous studies have investigated how bulk lipid metabolism of adipose tissue changes w…
View article: A randomized 3-way crossover study indicates that high-protein feeding induces de novo lipogenesis in healthy humans
A randomized 3-way crossover study indicates that high-protein feeding induces de novo lipogenesis in healthy humans Open
BACKGROUNDDietary changes have led to the growing prevalence of type 2 diabetes and nonalcoholic fatty liver disease. A hallmark of both disorders is hepatic lipid accumulation, derived in part from increased de novo lipogenesis. Despite t…
View article: A Comprehensive UHPLC Ion Mobility Quadrupole Time-of-Flight Method for Profiling and Quantification of Eicosanoids, Other Oxylipins, and Fatty Acids
A Comprehensive UHPLC Ion Mobility Quadrupole Time-of-Flight Method for Profiling and Quantification of Eicosanoids, Other Oxylipins, and Fatty Acids Open
Analysis of oxylipins by liquid chromatography mass spectrometry (LC/MS) is challenging because of the small mass range occupied by this diverse lipid class, the presence of numerous structural isomers, and their low abundance in biologica…
View article: Crosstalk between Metabolic Alterations and Altered Redox Balance in PTC-Derived Cell Lines
Crosstalk between Metabolic Alterations and Altered Redox Balance in PTC-Derived Cell Lines Open
Background: Thyroid cancer is the most common endocrine malignancy, with papillary thyroid carcinoma (PTC) being the most common (85–90%) among all the different types of thyroid carcinomas. Cancer cells show metabolic alterations and, due…
View article: sonial/KniMet: First release of KniMet
sonial/KniMet: First release of KniMet Open
KniMet is a workflow for the post-processing of LC-MS, GC-MS and LC-IM-MS metabolomics data. It is based on the KNIME analytical platform with integrated R nodes, and allows to perform missing values imputation (MVI), feature filtering, no…
View article: Base sequence specificity of counterion binding to DNA: what can MD simulations tell us?
Base sequence specificity of counterion binding to DNA: what can MD simulations tell us? Open
Nucleic acids are highly charged biopolymers whose secondary structure is strongly dependent on electrostatic interactions. Solvent molecules and ions are also believed to play an important role in mediating and directing both sequence rec…
View article: Using Molecular Initiating Events To Generate 2D Structure–Activity Relationships for Toxicity Screening
Using Molecular Initiating Events To Generate 2D Structure–Activity Relationships for Toxicity Screening Open
Molecular initiating events (MIEs) can be boiled down to chemical interactions. Chemicals that interact must have intrinsic properties that allow them to exhibit this behavior, be these properties stereochemical, electronic, or otherwise. …
View article: Global Mapping of Traditional Chinese Medicine into Bioactivity Space and Pathways Annotation Improves Mechanistic Understanding and Discovers Relationships between Therapeutic Action (Sub)classes
Global Mapping of Traditional Chinese Medicine into Bioactivity Space and Pathways Annotation Improves Mechanistic Understanding and Discovers Relationships between Therapeutic Action (Sub)classes Open
Traditional Chinese medicine (TCM) still needs more scientific rationale to be proven for it to be accepted further in the West. We are now in the position to propose computational hypotheses for the mode‐of‐actions (MOAs) of 45 TCM therap…