Libin Xu
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View article: Gut bacteria-derived sphingolipids alter innate immune responses to oral cholera vaccine antigens
Gut bacteria-derived sphingolipids alter innate immune responses to oral cholera vaccine antigens Open
The degree of protection conferred after receiving an oral cholera vaccine (OCV) varies based on age, prior exposure to Vibrio cholerae , and unknown factors. Recent evidence suggests that the microbiota may mediate some of the unexplained…
View article: A resource to empirically establish drug exposure records directly from untargeted metabolomics data
A resource to empirically establish drug exposure records directly from untargeted metabolomics data Open
View article: PubChemLite for Exposomics + predicted CCS from CCSbase - 28 Nov. 2025
PubChemLite for Exposomics + predicted CCS from CCSbase - 28 Nov. 2025 Open
PubChemLite is a subset of PubChem (https://pubchem.ncbi.nlm.nih.gov/) selected from major categories of the Table of Contents page at the PubChem Classification Browser (https://pubchem.ncbi.nlm.nih.gov/classification/#hid=72). This versi…
View article: Maternal and Placental Inflammation Influence Formation of Neural Tube Defects in Quaternary Ammonium Compound Exposed Mice
Maternal and Placental Inflammation Influence Formation of Neural Tube Defects in Quaternary Ammonium Compound Exposed Mice Open
Background Quaternary ammonium compounds (QACs) are common chemicals used for their antimicrobial, antistatic, and surfactant properties. Two common QACs, alkyldimethylbenzyl ammonium chloride (ADBAC or BAC) and didecyldimethyl ammonium ch…
View article: Peroxidation rate constants and mechanisms of isoprenoid-derived lipids and their roles in ferroptosis
Peroxidation rate constants and mechanisms of isoprenoid-derived lipids and their roles in ferroptosis Open
View article: Radiation-induced ferroptosis via liposomal delivery of 7-Dehydrocholesterol
Radiation-induced ferroptosis via liposomal delivery of 7-Dehydrocholesterol Open
Background Ferroptosis is an emerging cell death mechanism characterized by uncontrolled lipid peroxidation. However, selectively inducing ferroptosis in cancer cells remains a challenge. Methods We explore an approach that enables ferropt…
View article: PubChemLite Plus Collision Cross Section (CCS) Values for Enhanced Interpretation of Nontarget Environmental Data
PubChemLite Plus Collision Cross Section (CCS) Values for Enhanced Interpretation of Nontarget Environmental Data Open
Finding relevant chemicals in the vast (known) chemical space is a major challenge for environmental and exposomics studies leveraging nontarget high resolution mass spectrometry (NT-HRMS) methods. Chemical databases now contain hundreds o…
View article: PubChemLite plus Collision Cross Section (CCS) values for enhanced interpretation of non-target environmental data
PubChemLite plus Collision Cross Section (CCS) values for enhanced interpretation of non-target environmental data Open
Finding relevant chemicals in the vast (known) chemical space is a major challenge for environmental and exposomics studies leveraging non-target high resolution mass spectrometry (NT-HRMS) methods. Chemical databases now contain hundreds …
View article: Molecular basis of cell membrane adaptation in daptomycin-resistant Enterococcus faecalis
Molecular basis of cell membrane adaptation in daptomycin-resistant Enterococcus faecalis Open
Daptomycin is a last-resort lipopeptide antibiotic that disrupts cell membrane (CM) and peptidoglycan homeostasis. Enterococcus faecalis has developed a sophisticated mechanism to avoid daptomycin killing by redistributing CM anionic phosp…
View article: Empirically establishing drug exposure records directly from untargeted metabolomics data
Empirically establishing drug exposure records directly from untargeted metabolomics data Open
Despite extensive efforts, extracting information on medication exposure from clinical records remains challenging. To complement this approach, we developed the tandem mass spectrometry (MS/MS) based GNPS Drug Library. This resource integ…
View article: Acetyl-CoA carboxylase inhibition increases retinal pigment epithelial cell fatty acid flux and restricts apolipoprotein efflux
Acetyl-CoA carboxylase inhibition increases retinal pigment epithelial cell fatty acid flux and restricts apolipoprotein efflux Open
Lipid-rich deposits called drusen accumulate under the retinal pigment epithelium (RPE) in the eyes of patients with age-related macular degeneration and Sorsby's fundus dystrophy (SFD). Drusen may contribute to photoreceptor degeneration …
View article: Several common methods of making vesicles (except an emulsion method) capture intended lipid ratios
Several common methods of making vesicles (except an emulsion method) capture intended lipid ratios Open
View article: Efficient and scalable prediction of stochastic reaction–diffusion processes using graph neural networks
Efficient and scalable prediction of stochastic reaction–diffusion processes using graph neural networks Open
The dynamics of locally interacting particles that are distributed in space give rise to a multitude of complex behaviours. However the simulation of reaction-diffusion processes which model such systems is highly computationally expensive…
View article: Oral Exposure to Benzalkonium Chlorides in Male and Female Mice Reveals Sex-Dependent Alteration of the Gut Microbiome and Bile Acid Profile
Oral Exposure to Benzalkonium Chlorides in Male and Female Mice Reveals Sex-Dependent Alteration of the Gut Microbiome and Bile Acid Profile Open
Benzalkonium chlorides (BACs) are commonly used disinfectants in a variety of consumer and food-processing settings, and the COVID-19 pandemic has led to increased usage of BACs. The prevalence of BACs raises the concern that BAC exposure …
View article: Growth of<i>Staphylococcus aureus</i>in the presence of oleic acid shifts the glycolipid fatty acid profile and increases resistance to antimicrobial peptides
Growth of<i>Staphylococcus aureus</i>in the presence of oleic acid shifts the glycolipid fatty acid profile and increases resistance to antimicrobial peptides Open
Staphylococcus aureus readily adapts to various environments and quickly develops antibiotic resistance, which has led to an increase in multidrug-resistant infections. Hence, S. aureus presents a significant global health issue and its ad…
View article: Membrane Lipids Augment Cell Envelope Stress Signaling via the MadRS System to Defend Against Antimicrobial Peptides and Antibiotics in <i>Enterococcus faecalis</i>
Membrane Lipids Augment Cell Envelope Stress Signaling via the MadRS System to Defend Against Antimicrobial Peptides and Antibiotics in <i>Enterococcus faecalis</i> Open
Enterococci have evolved resistance mechanisms to protect their cell envelopes against bacteriocins and host cationic antimicrobial peptides (CAMPs) produced in the gastrointestinal environment. Activation of the membrane stress response h…
View article: How do different lipid peroxidation mechanisms contribute to ferroptosis?
How do different lipid peroxidation mechanisms contribute to ferroptosis? Open
View article: Several common methods of making vesicles (except an emulsion method) capture intended lipid ratios
Several common methods of making vesicles (except an emulsion method) capture intended lipid ratios Open
Researchers choose different methods of making giant unilamellar vesicles in order to satisfy different constraints of their experimental designs. A challenge of using a variety of methods is that each may produce vesicles of different lip…
View article: Interaction and Transport of Benzalkonium Chlorides by the Organic Cation and Multidrug and Toxin Extrusion Transporters
Interaction and Transport of Benzalkonium Chlorides by the Organic Cation and Multidrug and Toxin Extrusion Transporters Open
View article: De Novo Generation and Identification of Novel Compounds with Drug Efficacy Based on Machine Learning
De Novo Generation and Identification of Novel Compounds with Drug Efficacy Based on Machine Learning Open
One of the main challenges in small molecule drug discovery is finding novel chemical compounds with desirable activity. Traditional drug development typically begins with target selection, but the correlation between targets and disease r…
View article: Cholic acid increases plasma cholesterol in Smith-Lemli-Opitz syndrome: A pilot study
Cholic acid increases plasma cholesterol in Smith-Lemli-Opitz syndrome: A pilot study Open
View article: Elucidating the impact of bacterial lipases, human serum albumin, and FASII inhibition on the utilization of exogenous fatty acids by <i>Staphylococcus aureus</i>
Elucidating the impact of bacterial lipases, human serum albumin, and FASII inhibition on the utilization of exogenous fatty acids by <i>Staphylococcus aureus</i> Open
Staphylococcus aureus only synthesizes straight-chain saturated fatty acids (SCFAs) or branched-chain saturated fatty acids via the type II fatty acid synthesis (FASII) pathway, but as a highly adaptive pathogen, S. aureus can also utilize…
View article: 2176. Cardiolipin Synthases Play Redundant Roles And Are Required for Membrane Remodeling in Daptomycin Resistant <i>Enterococcus faecalis</i>
2176. Cardiolipin Synthases Play Redundant Roles And Are Required for Membrane Remodeling in Daptomycin Resistant <i>Enterococcus faecalis</i> Open
Background Daptomycin (DAP) is a lipopeptide antibiotic targeting anionic phospholipids (APLs) at the division septum. Resistance to DAP (DAP-R) in E. faecalis (Efs) has been associated with activation of the LiaFSR response and redistribu…
View article: Temporal transcriptomic changes during neurodevelopment in a mouse model of Smith-Lemli-Opitz syndrome
Temporal transcriptomic changes during neurodevelopment in a mouse model of Smith-Lemli-Opitz syndrome Open
Smith-Lemli-Opitz syndrome (SLOS) is an autosomal recessive, cholesterol biosynthesis disorder that arises from mutations in the gene DHCR7, leading to decreased production of cholesterol and accumulation of its precursor, 7-dehydrocholest…
View article: How do different lipid peroxidation mechanisms contribute to ferroptosis?
How do different lipid peroxidation mechanisms contribute to ferroptosis? Open
Lipid peroxidation is the driver of ferroptotic cell death. However, nonconjugated and conjugated polyunsaturated fatty acids potentiate ferroptosis differently, while some isoprenoid-derived lipids inhibit ferroptosis despite being highly…
View article: Membrane Lipids Augment Cell Envelope Stress Signaling and Resistance to Antibiotics and Antimicrobial Peptides in<i>Enterococcus faecalis</i>
Membrane Lipids Augment Cell Envelope Stress Signaling and Resistance to Antibiotics and Antimicrobial Peptides in<i>Enterococcus faecalis</i> Open
Enterococci have evolved resistance mechanisms to protect their cell envelopes against bacteriocins and host cationic antimicrobial peptides (CAMPs) produced in the gastrointestinal environment. Activation of the membrane stress response h…
View article: MALDI-IM-MS Imaging of Brain Sterols and Lipids in a Mouse Model of Smith-Lemli-Opitz Syndrome
MALDI-IM-MS Imaging of Brain Sterols and Lipids in a Mouse Model of Smith-Lemli-Opitz Syndrome Open
Smith-Lemli-Opitz syndrome (SLOS) is a neurodevelopmental disorder caused by genetic mutations in the DHCR7 gene, encoding the enzyme 3beta-hydroxysterol-delta7-reductase (DHCR7) that catalyzes the last step of cholesterol synthesis. The r…
View article: Hedgehog target genes regulate lipid metabolism to drive basal cell carcinoma and medulloblastoma
Hedgehog target genes regulate lipid metabolism to drive basal cell carcinoma and medulloblastoma Open
Hedgehog (Hh) signaling is essential for development, homeostasis, and regeneration 1 . Misactivation of the Hh pathway underlies medulloblastoma, the most common malignant brain tumor in children, and basal cell carcinoma (BCC), the most …
View article: High-throughput analysis of lipidomic phenotypes of methicillin-resistant Staphylococcus aureus by coupling in situ 96-well cultivation and HILIC-ion mobility-mass spectrometry
High-throughput analysis of lipidomic phenotypes of methicillin-resistant Staphylococcus aureus by coupling in situ 96-well cultivation and HILIC-ion mobility-mass spectrometry Open
View article: Molecular Basis of Cell Membrane Adaptation in Daptomycin-Resistant<i>Enterococcus faecalis</i>
Molecular Basis of Cell Membrane Adaptation in Daptomycin-Resistant<i>Enterococcus faecalis</i> Open
Daptomycin is a last-resort lipopeptide antibiotic that disrupts cell membrane (CM) and peptidoglycan homeostasis. Enterococcus faecalis has developed a sophisticated mechanism to avoid daptomycin killing by re-distributing CM anionic phos…