BioMassSpec
@realbiomassspec.bsky.social
Dietrich Volmer · Research in analytical chemistry, mass spec and metabolomics · Editor-in-Chief of Anal. Sci. Adv. + Editor of Rapid Commun. Mass Spectrom · Views my own
Humboldt University · Berlin · 🇨🇦🇩🇪 · volmerlab.de
Humboldt University · Berlin · 🇨🇦🇩🇪 · volmerlab.de
Effect of hemoglobin on the concentration of etizolam in postmortem blood determined by liquid chromatography coupled with quadrupole-Orbitrap mass spectrometry #JAT academic.oup.com/jat/article-...
Effect of hemoglobin on the concentration of etizolam in postmortem blood determined by liquid chromatography coupled with quadrupole-Orbitrap mass spectrometry
Abstract. Etizolam (EZM), a benzodiazepine drug, is a derivative of thienodiazepine. EZM displays an array of biological activities, including as an amnesi
academic.oup.com
November 11, 2025 at 1:07 PM
Effect of hemoglobin on the concentration of etizolam in postmortem blood determined by liquid chromatography coupled with quadrupole-Orbitrap mass spectrometry #JAT academic.oup.com/jat/article-...
An analytical approximation for the field in toroidal ion trap mass analysers having circular slits on endcap electrodes #EJMS journals.sagepub.com/doi/10.1177/...
An analytical approximation for the field in toroidal ion trap mass analysers having circular slits on endcap electrodes - Appala Naidu Kotana, Atanu K. Mohanty, 2025
In this study, an analytical approximation that can be used to estimate the change in the electric field caused by the introduction of circular slits on endcap ...
journals.sagepub.com
November 11, 2025 at 1:06 PM
An analytical approximation for the field in toroidal ion trap mass analysers having circular slits on endcap electrodes #EJMS journals.sagepub.com/doi/10.1177/...
Chemical Digestion-Assisted Proteomics Reveals the Extracellular Matrix Profile of Human Periodontal Ligament and Its Alterations in Cultured Cell-derived Extracellular Matrix #MCP #MassSpec www.mcponline.org/article/S153...
Chemical Digestion-Assisted Proteomics Reveals the Extracellular Matrix Profile of Human Periodontal Ligament and Its Alterations in Cultured Cell-derived Extracellular Matrix
The extracellular matrix (ECM) plays a crucial role in tissue structure and function
and serves as an integral component of diverse biological systems. However, the comprehensive
characterization of E...
www.mcponline.org
November 11, 2025 at 1:05 PM
Chemical Digestion-Assisted Proteomics Reveals the Extracellular Matrix Profile of Human Periodontal Ligament and Its Alterations in Cultured Cell-derived Extracellular Matrix #MCP #MassSpec www.mcponline.org/article/S153...
Quantitative proteomics identifies potential molecular adaptations in mouse models of congenital stationary night blindness type 2 #MCP #MassSpec www.mcponline.org/article/S153...
Quantitative proteomics identifies potential molecular adaptations in mouse models of congenital stationary night blindness type 2
Pathogenic variants in the CACNA1F gene are linked to congenital stationary night
blindness type 2 though their specific molecular effects remain elusive. This study
examines the retinal impact of two...
www.mcponline.org
November 11, 2025 at 1:05 PM
Quantitative proteomics identifies potential molecular adaptations in mouse models of congenital stationary night blindness type 2 #MCP #MassSpec www.mcponline.org/article/S153...
Application of Acoustic Ejection Mass Spectrometry (AEMS) for Plasma Protein Binding Assay Using Flux Dialysis #DMD dmd.aspetjournals.org/article/S009...
Application of Acoustic Ejection Mass Spectrometry (AEMS) for Plasma Protein Binding Assay Using Flux Dialysis
Flux dialysis, a superior method for plasma protein binding measurement of compounds
with challenging properties has limitations in early-stage drug discovery due to multi-timepoint
sampling, and prol...
dmd.aspetjournals.org
November 11, 2025 at 1:02 PM
Application of Acoustic Ejection Mass Spectrometry (AEMS) for Plasma Protein Binding Assay Using Flux Dialysis #DMD dmd.aspetjournals.org/article/S009...
Metabolism of the Total Flavonoid Extract of Lithocarpus litseifolius (Hance) Chun in Rats #BiomedChrom #MassSpec analyticalsciencejournals.onlinelibrary.wiley.com/doi/10.1002/...
Metabolism of the Total Flavonoid Extract of Lithocarpus litseifolius (Hance) Chun in Rats
The total flavonoid extract of Lithocarpus litseifolius (Hance) Chun (TFLLC), a medicinal and edible plant of the Fagaceae family, has been developed as a preclinical drug candidate in China due to i...
analyticalsciencejournals.onlinelibrary.wiley.com
November 11, 2025 at 12:55 PM
Metabolism of the Total Flavonoid Extract of Lithocarpus litseifolius (Hance) Chun in Rats #BiomedChrom #MassSpec analyticalsciencejournals.onlinelibrary.wiley.com/doi/10.1002/...
A Novel UPLC–MS/MS Method for Determining Tegoprazan in Rat Plasma: An Application in a Rat Pharmacokinetic Study #BiomedChrom analyticalsciencejournals.onlinelibrary.wiley.com/doi/10.1002/...
A Novel UPLC–MS/MS Method for Determining Tegoprazan in Rat Plasma: An Application in a Rat Pharmacokinetic Study
Tegoprazan (TEG) is a commonly used drug in the treatment of gastroesophageal reflux disease. This work aimed to develop and validate an ultra-high-performance liquid chromatography–tandem mass Spect....
analyticalsciencejournals.onlinelibrary.wiley.com
November 11, 2025 at 12:55 PM
A Novel UPLC–MS/MS Method for Determining Tegoprazan in Rat Plasma: An Application in a Rat Pharmacokinetic Study #BiomedChrom analyticalsciencejournals.onlinelibrary.wiley.com/doi/10.1002/...
Characterization of per- and polyfluoroalkyl substances (PFAS) in AFFF-contaminated soil by photocatalytic oxidation (PhotoTOP) #ABC link.springer.com/article/10.1...
Characterization of per- and polyfluoroalkyl substances (PFAS) in AFFF-contaminated soil by photocatalytic oxidation (PhotoTOP) - Analytical and Bioanalytical Chemistry
Per- and polyfluoroalkyl substances (PFAS) comprise a diverse group of thousands of compounds, for which only a limited number of analytical reference standards are available. This presents significan...
link.springer.com
November 11, 2025 at 12:53 PM
Characterization of per- and polyfluoroalkyl substances (PFAS) in AFFF-contaminated soil by photocatalytic oxidation (PhotoTOP) #ABC link.springer.com/article/10.1...
Integrative Analysis of Fucosylated Tetra Glycoforms in Hepatocellular Carcinoma: A NanoLC-PRM-MS/MS and Machine Learning Approach #JProteomeRes pubs.acs.org/doi/10.1021/...
Integrative Analysis of Fucosylated Tetra Glycoforms in Hepatocellular Carcinoma: A NanoLC-PRM-MS/MS and Machine Learning Approach
Hepatocellular carcinoma (HCC), commonly associated with cirrhosis, is a major cause of cancer-related mortality due to its poor prognosis. Herein, we investigated fucosylated glycoforms of serum haptoglobin (Hp) as potential biomarkers for HCC of metabolic associated dysfunction associated liver disease (MASLD) and alcohol related liver disease (ALD) etiologies. We analyzed 119 patient samples, including 60 with cirrhosis and 59 with HCC. Isolated Hp protein was digested using trypsin and Glu-C, and site-specific N-glycans were quantified using PRM with LC-HCD-MS/MS. Differential analysis revealed significant variations in fucosylated tetra-antennary glycoforms at N241(VVLHPN241YSQVD and VVLHPN241YSQVDIGLIK), particularly in distinguishing cirrhosis and HCC (P < 0.05). A combined analysis of identified tetra-antennary fucosylated markers, along with AFP, gender, and age, demonstrated improved AUC. Tetra-antennary glycoforms exhibited an AUC of 0.871 (95% CI: 0.80–0.93) when incorporated into the AFP + age + gender + marker panel compared to AFP alone (0.756) with a sensitivity of 0.763 at a specificity of 0.80. 3-fold cross validation was further used to assess the performance of the optimal biomarker panel. Thus, a combination of fucosylated tetra-antennary glycoforms may serve as important markers for distinguishing HCC from cirrhosis.
pubs.acs.org
November 11, 2025 at 12:50 PM
Integrative Analysis of Fucosylated Tetra Glycoforms in Hepatocellular Carcinoma: A NanoLC-PRM-MS/MS and Machine Learning Approach #JProteomeRes pubs.acs.org/doi/10.1021/...
Solving the “General Elution Problem” of Ion Mobility Spectrometry: Single-Run Voltage Sweep #AC pubs.acs.org/doi/10.1021/...
Solving the “General Elution Problem” of Ion Mobility Spectrometry: Single-Run Voltage Sweep
While modern mobility methods have shifted toward vacuum-based techniques that allow advanced ion manipulations to improve resolution, atmospheric pressure ion mobility spectrometry (IMS) cells continue to find utility in primary security and screening applications. These small units generally demonstrate low resolution due to both their size and inability to perform advanced ion manipulations at atmospheric pressure. Existing drift time IMS cells utilize a static voltage typically tuned to optimize both total signal and separation efficiency for the ions of particular interest in a given application. These static voltage IMS cells suffer from a phenomenon similar to the general elution problem of chromatography, wherein the separation conditions are optimized for a particular species at the expense of the other analytes in the system. Through the application of an external high voltage sweep (VS) tuned to match the theoretical optimum potential at every drift time, this work solves the General Elution Problem of IMS. In comparison to static mode, VSIMS demonstrates significantly improved resolution and resolving power while maintaining fidelity in reduced mobility measurements. When applied to a library of IMS standards, VSIMS demonstrates consistent, reproducible resolving powers regardless of the mobility of the ion introduced to the instrument.
pubs.acs.org
November 11, 2025 at 12:49 PM
Solving the “General Elution Problem” of Ion Mobility Spectrometry: Single-Run Voltage Sweep #AC pubs.acs.org/doi/10.1021/...
Clinical Quantitative Method Development of serum indoxyl sulfate (IS) assay using LC-MS/MS #BiochemBiophysRep www.sciencedirect.com/science/arti...
Clinical Quantitative Method Development of serum indoxyl sulfate (IS) assay using LC-MS/MS
Indoxyl sulfate (IS) accumulates in the blood with decreases in the voided volume due to a decline in renal function and promotes the progression of r…
www.sciencedirect.com
November 10, 2025 at 8:28 PM
Clinical Quantitative Method Development of serum indoxyl sulfate (IS) assay using LC-MS/MS #BiochemBiophysRep www.sciencedirect.com/science/arti...
Mapping the Helichrysum metabolome: uncovering species-specific chemistry through an AI-guided LC-MS/MS workflow #MolOmics pubs.rsc.org/en/content/a...
Mapping the Helichrysum metabolome: uncovering species-specific chemistry through an AI-guided LC-MS/MS workflow
Helichrysum species, of which 35% are native to South Africa, are renowned for their diverse medicinal properties, yet their chemical composition remains largely unexplored. As such, continuous effort...
pubs.rsc.org
November 10, 2025 at 8:26 PM
Mapping the Helichrysum metabolome: uncovering species-specific chemistry through an AI-guided LC-MS/MS workflow #MolOmics pubs.rsc.org/en/content/a...
Dynamic Metabolomics Atlas of Radiation-induced Liver Injury and Hepatocyte Proliferation Process in Rat #RadiatRes #MassSpec meridian.allenpress.com/radiation-re...
Dynamic Metabolomics Atlas of Radiation-induced Liver Injury and Hepatocyte Proliferation Process in Rat
This study aims to elucidate the processes involved in radiation-induced liver injury and subsequent hepatocyte proliferation, and to identify novel metabolic profiles associated with progression of l...
meridian.allenpress.com
November 10, 2025 at 8:25 PM
Dynamic Metabolomics Atlas of Radiation-induced Liver Injury and Hepatocyte Proliferation Process in Rat #RadiatRes #MassSpec meridian.allenpress.com/radiation-re...
Effect of exercise on multi-compartment lipid metabolism in murine models fed an obesogenic diet using non-targeted LC/MS #FrontNutr www.frontiersin.org/journals/nut...
Frontiers | Effect of exercise on multi-compartment lipid metabolism in murine models fed an obesogenic diet using non-targeted LC/MS
BackgroundChronic inflammation from obesogenic diets (OBD) disrupts lipid metabolism and contributes to non-communicable metabolic diseases. Exercise is a no...
www.frontiersin.org
November 10, 2025 at 8:23 PM
Effect of exercise on multi-compartment lipid metabolism in murine models fed an obesogenic diet using non-targeted LC/MS #FrontNutr www.frontiersin.org/journals/nut...
Unraveling the formation of key aroma compounds in roasted pork during air frying: A complementary approach using GC-IMS, GC-O-MS, and GC × GC–MS #FoodChemX www.sciencedirect.com/science/arti...
Unraveling the formation of key aroma compounds in roasted pork during air frying: A complementary approach using GC-IMS, GC-O-MS, and GC × GC–MS
The change of aroma fingerprint and its corresponding precursors during pork roasting remains unclear. The formation of key aroma compounds in roasted…
www.sciencedirect.com
November 10, 2025 at 8:23 PM
Unraveling the formation of key aroma compounds in roasted pork during air frying: A complementary approach using GC-IMS, GC-O-MS, and GC × GC–MS #FoodChemX www.sciencedirect.com/science/arti...
Sample Preparation for MALDI-TOF Mass Spectrometry of Model Prebiotic Reactions in Simulated Ocean World Environments #ACSOmega pubs.acs.org/doi/10.1021/...
Sample Preparation for MALDI-TOF Mass Spectrometry of Model Prebiotic Reactions in Simulated Ocean World Environments
The prebiotic potential of ocean worlds such as Europa and Enceladus, while not well constrained, is vital in the search for potential life elsewhere. To better understand this potential, laboratory studies provide experimental insight into the chemical environment(s) of ocean worlds and any constraints to hold prebiotically relevant systems. However, simulated ocean world solutions present a technical challenge for analytical techniques such as mass spectrometry (MS), as the high saline content required for simulating ocean world environments results in ion suppression and reduced sensitivity. Here, we compare three sample preparation techniques, C4 ZipTips, C18 ZipTips, and on-plate washing, for matrix-assisted laser desorption/ionization – time-of-flight (MALDI-TOF) MS of saline solutions similar to environments expected in ocean worlds. We determined that using C18 ZipTips was optimal when paired with 2,5-dihydroxybenzoic acid (DHB) matrix, whereas on-plate desalting was optimal when paired with α-cyano-4-hydroxycinnamic acid (CHCA) matrix. The methodology described here presents simple, low-volume sample preparation strategies for MALDI-TOF MS of model prebiotic reactions in saline solutions.
pubs.acs.org
November 10, 2025 at 8:22 PM
Sample Preparation for MALDI-TOF Mass Spectrometry of Model Prebiotic Reactions in Simulated Ocean World Environments #ACSOmega pubs.acs.org/doi/10.1021/...
ForMileS: A Python Open-Source Program to Generate Molecular Structures for Tandem Mass Spectrometry Fragment Ions #ACSOmega pubs.acs.org/doi/10.1021/...
ForMileS: A Python Open-Source Program to Generate Molecular Structures for Tandem Mass Spectrometry Fragment Ions
Tandem mass spectrometry is a central analytical tool in chemistry, yet the fragmentation mechanisms underlying collision-induced dissociation remain incompletely understood. A key challenge is predic...
pubs.acs.org
November 10, 2025 at 8:21 PM
ForMileS: A Python Open-Source Program to Generate Molecular Structures for Tandem Mass Spectrometry Fragment Ions #ACSOmega pubs.acs.org/doi/10.1021/...
Serum and urine metabolic fingerprints enable diagnosis and prognosis for IgA nephropathy #MaterTodayBio #MassSpec www.sciencedirect.com/science/arti...
Serum and urine metabolic fingerprints enable diagnosis and prognosis for IgA nephropathy
IgA nephropathy (IgAN), the most common primary glomerulonephritis worldwide, displays a pronounced geographical variation and progresses to end-stage…
www.sciencedirect.com
November 10, 2025 at 8:21 PM
Serum and urine metabolic fingerprints enable diagnosis and prognosis for IgA nephropathy #MaterTodayBio #MassSpec www.sciencedirect.com/science/arti...
Untargeted metabolomic analysis of dietary rumen-protected choline supplementation in fattening lambs #FrontVetSci #MassSpec www.frontiersin.org/journals/vet...
Frontiers | Untargeted metabolomic analysis of dietary rumen-protected choline supplementation in fattening lambs
IntroductionCholine is an essential nutrient that plays a key role in lipid metabolism and growth performance in livestock.MethodsThis study investigated the...
www.frontiersin.org
November 10, 2025 at 8:20 PM
Untargeted metabolomic analysis of dietary rumen-protected choline supplementation in fattening lambs #FrontVetSci #MassSpec www.frontiersin.org/journals/vet...
Salivary proteomics in patients with fixed orthodontic appliances and Invisalign treatment #IntDentJ #MassSpec www.sciencedirect.com/science/arti...
Salivary proteomics in patients with fixed orthodontic appliances and Invisalign treatment
Early detection of biological changes is crucial for effective monitoring of orthodontic tooth movement (OTM). Research that elucidates the connection…
www.sciencedirect.com
November 10, 2025 at 9:20 AM
Salivary proteomics in patients with fixed orthodontic appliances and Invisalign treatment #IntDentJ #MassSpec www.sciencedirect.com/science/arti...
Combining complementary multiplex extraction chemistries enhances proteome coverage and analytical insights in tiny insects: A study on sweet potato whitefly Bemisia tabaci #IJBM #MassSpec www.sciencedirect.com/science/arti...
Combining complementary multiplex extraction chemistries enhances proteome coverage and analytical insights in tiny insects: A study on sweet potato whitefly Bemisia tabaci
Advancements in protein extraction methodologies are essential for enhancing insect proteomics, especially in sap-feeding small insects, where high li…
www.sciencedirect.com
November 10, 2025 at 9:18 AM
Combining complementary multiplex extraction chemistries enhances proteome coverage and analytical insights in tiny insects: A study on sweet potato whitefly Bemisia tabaci #IJBM #MassSpec www.sciencedirect.com/science/arti...
Alterations in the profiles of rumen microbiota and metabolites in Holstein and Jersey dairy cows under heat stress #JThermBiol #MassSpec www.sciencedirect.com/science/arti...
Alterations in the profiles of rumen microbiota and metabolites in Holstein and Jersey dairy cows under heat stress
High temperature impacts the performance and health of dairy cows in summer, causing considerable financial burden in the dairy industry. Differences …
www.sciencedirect.com
November 10, 2025 at 9:17 AM
Alterations in the profiles of rumen microbiota and metabolites in Holstein and Jersey dairy cows under heat stress #JThermBiol #MassSpec www.sciencedirect.com/science/arti...
Panax notoginseng saponin mitigates glycolysis to regulate macrophage polarization and sphingolipid metabolism via hypoxia-inducible factor-1 to alleviate atherosclerosis #Phytomed #MassSpec www.sciencedirect.com/science/arti...
Panax notoginseng saponin mitigates glycolysis to regulate macrophage polarization and sphingolipid metabolism via hypoxia-inducible factor-1 to alleviate atherosclerosis
Panax notoginseng saponin (PNS) has shown potent activities in treating patients with atherosclerosis (AS), whereas its immunometabolic mechanism rema…
www.sciencedirect.com
November 10, 2025 at 9:16 AM
Panax notoginseng saponin mitigates glycolysis to regulate macrophage polarization and sphingolipid metabolism via hypoxia-inducible factor-1 to alleviate atherosclerosis #Phytomed #MassSpec www.sciencedirect.com/science/arti...
Interpretable machine learning of clinical MALDI-TOF spectra discriminates carbapenem-resistant Klebsiella pneumoniae while revealing phylogenetic heterogeneity that limits model generalizability #JMSACL www.sciencedirect.com/science/arti...
Interpretable machine learning of clinical MALDI-TOF spectra discriminates carbapenem-resistant Klebsiella pneumoniae while revealing phylogenetic heterogeneity that limits model generalizability
Carbapenem-resistant Klebsiella pneumoniae (CRKP) poses a significant public health threat. Rapid detection of CRKP and its resistance mechanisms is e…
www.sciencedirect.com
November 10, 2025 at 9:13 AM
Interpretable machine learning of clinical MALDI-TOF spectra discriminates carbapenem-resistant Klebsiella pneumoniae while revealing phylogenetic heterogeneity that limits model generalizability #JMSACL www.sciencedirect.com/science/arti...
Development of an LC-MS/MS method for the quantification of sunitinib and its metabolites in human nail and skin #JPBA www.sciencedirect.com/science/arti...
Development of an LC-MS/MS method for the quantification of sunitinib and its metabolites in human nail and skin
Sunitinib is associated with a high incidence of hand-foot skin reaction (HFSR) that significantly affects the quality of life and treatment continuat…
www.sciencedirect.com
November 10, 2025 at 9:12 AM
Development of an LC-MS/MS method for the quantification of sunitinib and its metabolites in human nail and skin #JPBA www.sciencedirect.com/science/arti...