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BioMassSpec

@realbiomassspec

Dietrich Volmer · Research in analytical chemistry, mass spec and metabolomics · Editor-in-Chief of Anal. Sci. Adv. & Rapid Commun. Mass Spectrom · Views are my own Humboldt University · Berlin · 🇨🇦🇩🇪 · volmerlab.de

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Latest posts by BioMassSpec @realbiomassspec

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Shared-autosampler parallel LC–MS/MS platform for high-throughput multi-analyte quantification in complex matrices Modern analytical tasks increasingly require the simultaneous quantification of large numbers of chemically diverse analytes in complex matrices, whic…

Shared-autosampler parallel LC–MS/MS platform for high-throughput multi-analyte quantification in complex matrices #JChromA www.sciencedirect.com/science/arti...

07.03.2026 19:10 👍 0 🔁 0 💬 0 📌 0
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Green optimisation of microwave-assisted extraction of phenolic compounds from rice straw lignocellulosic residues and LC-HRMS-based cultivar profiling Rice straw was valorised as a source of antioxidant phenolic compounds. Microwave-assisted extraction (MAE) was optimised using a Box–Behnken design t…

Green optimisation of microwave-assisted extraction of phenolic compounds from rice straw lignocellulosic residues and LC-HRMS-based cultivar profiling #FoodChem www.sciencedirect.com/science/arti...

07.03.2026 19:08 👍 0 🔁 0 💬 0 📌 0
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Comprehensive lipidomic profiling of dietary Indian millets and identification of fatty acid esters of hydroxy fatty acids by untargeted LC/MS Millets are small-seeded coarse cereals gaining attention for their nutraceutical potential in managing metabolic disorders. Although millets are wide…

Comprehensive lipidomic profiling of dietary Indian millets and identification of fatty acid esters of hydroxy fatty acids by untargeted LC/MS #FoodChem www.sciencedirect.com/science/arti...

07.03.2026 19:07 👍 0 🔁 0 💬 0 📌 0
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Oligomer-Dependent Gas-Phase Dissociation Behavior of 2-Butanone Peroxide (MEKP) Cations 2-Butanone peroxide is a commonly used cross-linker in the chemical industry and a homemade explosive encountered by the forensic community. In this study, the dissociation behavior of ammonium cation...

Oligomer-Dependent Gas-Phase Dissociation Behavior of 2-Butanone Peroxide (MEKP) Cations #JASMS pubs.acs.org/doi/10.1021/...

07.03.2026 19:03 👍 0 🔁 0 💬 0 📌 0
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Identification and Quantitation of Cardiac Hypertrophy Inhibitory Components in Trichosanthis Pericarpium Injection Based on UHPLC‐QE‐MS and Spectrum–Effect Relationships Trichosanthis Pericarpium injection (TPI) is a Chinese patent medicine for coronary heart disease and stable angina pectoris. This study aimed to integrate UHPLC-QE-MS with fingerprint–effect relatio...

Identification and Quantitation of Cardiac Hypertrophy Inhibitory Components in Trichosanthis Pericarpium Injection Based on UHPLC‐QE‐MS and Spectrum–Effect Relationships #BiomedChrom analyticalsciencejournals.onlinelibrary.wiley.com/doi/10.1002/...

06.03.2026 19:26 👍 0 🔁 0 💬 0 📌 0
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Metabolite Profiling and Identification of Semaglutide in Liver S9 Across Species and Rat Plasma Semaglutide, a glucagon-like peptide-1 receptor agonist, stands as a paradigm of successful peptide drug development. Although absorption, distribution, metabolism and excretion characteristics of se...

Metabolite Profiling and Identification of Semaglutide in Liver S9 Across Species and Rat Plasma #BiomedChrom #MassSpec analyticalsciencejournals.onlinelibrary.wiley.com/doi/10.1002/...

06.03.2026 19:25 👍 0 🔁 0 💬 0 📌 0
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A simple LC-MS/MS alternative for arsenic monitoring in groundwater: validation and field application - Analytical and Bioanalytical Chemistry Monitoring inorganic arsenic in groundwater remains a major analytical and public health challenge in regions where access to advanced elemental instrumentation typically used for trace analysis is li...

A simple LC-MS/MS alternative for arsenic monitoring in groundwater: validation and field application #ABC link.springer.com/article/10.1...

06.03.2026 19:24 👍 0 🔁 0 💬 0 📌 0
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Species- and Tissue-Specific Accumulation of Polycyclic Aromatic Compounds in Three Arctic Seabirds Polycyclic aromatic compounds (PACs) are a complex class of toxic organic contaminants whose environmental fate and risk in the Arctic are poorly understood. The accumulation potential and risk to mar...

Species- and Tissue-Specific Accumulation of Polycyclic Aromatic Compounds in Three Arctic Seabirds #EST #MassSpec pubs.acs.org/doi/10.1021/...

06.03.2026 19:23 👍 0 🔁 0 💬 0 📌 0
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Exploring the Impact of Two DNA Minor Groove Binder Compounds on HCT-116 Cells: A Comprehensive Multiomics Analysis Using Mass Spectrometry Colorectal cancer (CRC) remains a major global health burden, necessitating innovative therapeutic approaches with improved selectivity and reduced toxicity. DNA minor groove binders (MGBs) represent a promising class of agents that modulate DNA-associated processes without inducing permanent DNA damage. In this study, two previously reported distamycin-like DNA minor groove binders, MGB30 and MGB32, were investigated to elucidate their molecular mechanisms of action in HCT-116 human colorectal cancer cells. An integrated multiomics approach combining metabolomics and proteomics was employed using TIMS-QTOF-UHPLC-MS. Four biological replicates were used for each treatment condition. Following MGB30 treatment, 12 metabolites and 187 proteins were significantly dysregulated, whereas MGB32 treatment resulted in alterations of 41 metabolites and 409 proteins using a Student’s t-test with q-value <0.05. Pathway enrichment analysis revealed that both compounds significantly disrupted purine metabolism, while MGB32 additionally affected beta-alanine metabolism, glutathione metabolism, and spermidine and spermine biosynthesis. Proteomic analysis further demonstrated deactivation of RNA processing, translation, and ribosome biogenesis, leading to impaired protein synthesis and reduced cancer cell proliferation. This study provides mechanistic insights into the downstream molecular effects of MGB30 and MGB32 that disrupt key mechanisms underlying tumor growth, offering new avenues for CRC treatment.

Exploring the Impact of Two DNA Minor Groove Binder Compounds on HCT-116 Cells: A Comprehensive Multiomics Analysis Using Mass Spectrometry #JProteomeRes pubs.acs.org/doi/10.1021/...

06.03.2026 19:20 👍 0 🔁 0 💬 0 📌 0
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Presence of Emerging Contaminants in UK Honey─Human Pharmaceuticals a Concern for Honeybees? Emerging contaminants can accumulate in water, soils, and crops; however, little is known about the potential exposure to honeybees. Using samples collected surrounding arable farming in Great Britain and nontarget techniques, we identified 119 suspect chemicals in hives. On average, each hive contained 6.8 (±3.01) active ingredients, these included human pharmaceuticals (64%), industrial chemicals (10%), surfactants (8%), and plasticizers (5%). Elevated concentrations of the anti-inflammatory flurandrenolide (582.3 ± 348.4 ng/g), the nonsteroidal anti-inflammatorydrug aspirin (358.2 ± 390.1 ng/g), the fungicide azoxystrobin (298.5 ± 159.9 ng/g), the antihypertensive methyldopa (123.4 ± 60 ng/g), and the anticonvulsant carbamazepine (79.97 ± 54.2 ng/g) were identified. Elevated concentrations of human-origin contaminants of emerging concern (CECs), and their increased frequency in arable areas, indicate that the reuse of contaminated fertilizers contributes to accumulation in hives across English landscapes. Critically, most of these contaminants lack toxicity data for honeybees, making it impossible to assess their acute or chronic risks.

Presence of Emerging Contaminants in UK Honey─Human Pharmaceuticals a Concern for Honeybees? #JAFC #MassSpec pubs.acs.org/doi/10.1021/...

06.03.2026 10:07 👍 1 🔁 0 💬 0 📌 0
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A streamlined in-syringe fast drug extraction and semi-automated dispersive cleanup technique for quick biomonitoring of direct oral anti-coagulant drugs in patients’ plasma samples using UHPLC-MS/MS ... In this work, the manual multistep QuEChERS (quick, easy, cheap, effective, rugged, and safe) approach has been streamlined into an in-syringe micro-QuEChERS method, referred to as an in-syringe-assis...

A streamlined in-syringe fast drug extraction and semi-automated dispersive cleanup technique for quick biomonitoring of direct oral anti-coagulant drugs in patients’ plasma samples using UHPLC-MS/MS analysis #ABC link.springer.com/article/10.1...

05.03.2026 15:07 👍 0 🔁 0 💬 0 📌 0
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Assessing Digestive Transformations of Withania somnifera Extracts via LC–MS/MS Profiling with a Focus on Bioactive Compounds Withaferin A, Withanolide A, Withanoside IV, and Untargeted Metabolomics Botanical extracts are widely employed as health care agents but lack the rigorous vetting required for FDA-approved pharmaceuticals. Research on phytochemical bioavailability and transformation has mainly focused on liver metabolism and plasma binding, while gastrointestinal and microbiome metabolism studies remain limited. This study combined digestive in vitro assays with mass spectrometry-based metabolomics and molecular networking to analyze metabolites in Withania somnifera leaf and root extracts, along with three known bioactive reference standards: withaferin A, withanolide A, and withanoside IV. Both withaferin A and withanoside IV underwent significant in vitro transformation, while withanolide A remained stable across conditions. Molecular networking revealed that withanolides in the root extract were largely stable, whereas many in the leaf extract were more labile under the assay conditions. Detailed network analysis also enabled the identification of specific metabolite transformations. These findings support the refinement of in vitro models to better predict in vivo behavior in complex botanical mixtures.

Assessing Digestive Transformations of Withania somnifera Extracts via LC–MS/MS Profiling with a Focus on Bioactive Compounds Withaferin A, Withanolide A, Withanoside IV, and Untargeted Metabolomics #JAFC pubs.acs.org/doi/10.1021/...

05.03.2026 14:59 👍 0 🔁 0 💬 0 📌 0
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Integrating Ion Beam Control into a Commercial Platform for Improved Multimodal SIMS/MALDI Imaging Mass spectrometry imaging (MSI) provides spatially resolved chemical analysis of surfaces and is widely applied in biological and biomedical research. Multimodal MSI can combine techniques such as secondary ion mass spectrometry (SIMS) and matrix-assisted laser desorption/ionization (MALDI) to leverage their complementary strengths. However, acquiring multimodal MSI data using separate instruments introduces challenges, including image coregistration and potential sample degradation during transfer. To address these limitations, we previously integrated a C60 ion gun into a prototype, commercially available MSI instrument, enabling SIMS, MALDI, and secondary electron imaging within a single platform. In this study, we implemented field of view (FoV) mode SIMS on this platform by rastering the ion beam, achieving an improved spatial resolution of 2 μm and surpassing the spatial resolution of the sample stage. Additionally, we optimized the instrument for elemental ion signals and observed enhanced sensitivity of selected species in SIMS through collision-induced dissociation (CID). To explore the usability of the ion gun for high-spatial-resolution image coregistration with other imaging modalities, fiducial markers were etched using the ion gun, creating a localized absence of signal in the etching locations, which can aid coregistration with optical imaging. Additionally, the secondary electrons produced by rastering the ion beam were used to image and assess the MALDI laser focus and power, allowing us to determine the optimal settings.

Integrating Ion Beam Control into a Commercial Platform for Improved Multimodal SIMS/MALDI Imaging #JASMS pubs.acs.org/doi/10.1021/...

05.03.2026 14:58 👍 0 🔁 0 💬 0 📌 0
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Interpretable Machine Learning to Decipher Myelodysplastic Syndrome-Associated Alterations of the Extracellular Matrix by Time-of-Flight Secondary Ion Mass Spectrometry Machine learning (ML) accelerates progress in many areas, including biomedical and clinical research. ML algorithms provide powerful options for efficiently analyzing multivariate data sets. We developed and validated an ML pipeline to detect myelodysplastic syndrome (MDS)-associated pathological alterations of extracellular matrices (ECMs) by time-of-flight secondary ion mass spectrometry (ToF-SIMS). A Bayesian-optimized neural network (NN) was trained and applied to classify ToF-SIMS spectra of ECM secreted by mesenchymal stromal cells (MSCs) derived from MDS patients and healthy reference donors. Validated by principal component analysis, the explainer tool SHapley Additive exPlanations (known as SHAP) was integrated into the analysis pipeline to unravel characteristic compositional and structural differences of the ECM variants. Our results demonstrate the potential of ToF-SIMS-ML for the label-free investigation of pathogenic alterations of the ECM. Integrated into the multiscale ECM analysis of cell and organoid-based disease models, the introduced methodology may facilitate advances in the development of novel diagnostic and therapeutic strategies.

Interpretable Machine Learning to Decipher Myelodysplastic Syndrome-Associated Alterations of the Extracellular Matrix by Time-of-Flight Secondary Ion Mass Spectrometry #JASMS pubs.acs.org/doi/10.1021/...

05.03.2026 10:14 👍 1 🔁 0 💬 0 📌 0
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High-resolution HPLC-MS/MS profiling of group a and group B seed saponins in 711 diverse soybean germplasms Soybean seeds are rich in saponins, yet their variation across germplasm and environments is poorly explored. We developed an HPLC–MS/MS method to ext…

High-resolution HPLC-MS/MS profiling of group a and group B seed saponins in 711 diverse soybean germplasms #FoodChem www.sciencedirect.com/science/arti...

04.03.2026 19:47 👍 0 🔁 0 💬 0 📌 0
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Static headspace enantioselective comprehensive two-dimensional gas chromatography–time-of-flight mass spectrometry in food analysis: a proof-of-principle study Static headspace (SHS) sampling, prior to a gas chromatography (GC) separation, is an interesting approach in food analysis inasmuch that the isolated…

Static headspace enantioselective comprehensive two-dimensional gas chromatography–time-of-flight mass spectrometry in food analysis: a proof-of-principle study #ACA www.sciencedirect.com/science/arti...

04.03.2026 19:38 👍 0 🔁 0 💬 0 📌 0
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Simultaneous quantitation of free testosterone and free thyroid hormones in human serum by equilibrium dialysis LC-MS/MS Testosterone (Te) and the thyroid hormones (THs) thyroxine (T4) and triiodothyronine (T3) are key endocrine hormones regulating development, metabolis…

Simultaneous quantitation of free testosterone and free thyroid hormones in human serum by equilibrium dialysis LC-MS/MS #ACA www.sciencedirect.com/science/arti...

04.03.2026 19:38 👍 0 🔁 0 💬 0 📌 0
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Heat-resistant cryoglobulin investigated through dynamic cryoaggregation assay and mass spectrometry Cryoglobulins are immune complexes of antibodies that precipitate from serum at temperatures less than 37 °C. In the diagnostic laboratories, the usua…

Heat-resistant cryoglobulin investigated through dynamic cryoaggregation assay and mass spectrometry #CCA www.sciencedirect.com/science/arti...

04.03.2026 19:37 👍 0 🔁 0 💬 0 📌 0
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Optimization of the Identification Rate and Reproducibility of an Untargeted diaPASEF Method Applicable for Quantitative Peptide Profiling of Hydrolyzed Infant Formula Quality control of hydrolyzed infant formula (HIF) requires comprehensive and precise quantification of its peptide components. Quantitative peptidome analysis by liquid chromatography–tandem mass spectrometry (LC–MS/MS) with data-independent acquisition (DIA) and parallel accumulation–serial fragmentation (PASEF) is used for this application. Here, an optimization strategy was developed to increase the peptide identification rate and the qualitative and quantitative reproducibility of this approach. To expand the peptide identification rate, the originally assigned equidistant ion mobility (IM) windows were transferred to variable ion mobility windows with manually adjusted window placement. To improve the reproducibility, major acquisition parameters, such as the number of diaPASEF scans and ion mobility windows as well as the resulting cycle time, were systematically optimized. Thus, the approach was modified from 17 equidistant windows with a cycle time of 1.8 s to 30 variable windows with a cycle time of 1.7 s. The optimization process led to the identification of 628 peptides versus 522 peptides, increasing the identification rate by 20.3%. Concurrently, the coefficient of variation (CV) for peptide identification was reduced from 10.9 to 0.8%, and for quantitative reproducibility, it was reduced from 24.3 to 17.2%. Based on these results, an optimization workflow is presented to systematically improve the identification rate and reproducibility for other sample types and instruments.

Optimization of the Identification Rate and Reproducibility of an Untargeted diaPASEF Method Applicable for Quantitative Peptide Profiling of Hydrolyzed Infant Formula #JProteomeRes pubs.acs.org/doi/10.1021/...

04.03.2026 19:25 👍 1 🔁 0 💬 0 📌 0
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Advancing Collision-Induced Affinity Selection Mass Spectrometry for Quantitative Ligand Analysis in Complex Mixtures Native mass spectrometry (MS) is a powerful technique for studying protein–ligand interactions in their native states by employing soft electrospray ionization (ESI). It enables the direct observation of all species in equilibrium within a solution. Building on these advantages, Collision-Induced Affinity Selection MS (CIAS-MS) was introduced as an alternative approach, incorporating quadrupole mass selection, controlled complex dissociation, and ligand detection to enhance the study of protein–ligand interactions. This method retains the native ionization properties of proteins while enabling high-sensitivity detection of released ligands. This study presents an optimized CIAS-MS platform for improved ligand binding detection and quantitative affinity ranking. The integration of both positive and negative ion modes significantly broadens the detection of structurally diverse ligands, overcoming biases from single-mode analysis. More importantly, the collision-induced dissociation (CID) slope, derived from dissociation curves, is introduced as a robust parameter for affinity ranking. Unlike absolute intensities or dissociation thresholds, the CID slope reflects solution-phase affinity order across ligands and remains accurate in highly complex backgrounds, including 100-compound mixtures and bacterial lysates. These advances highlight the robustness of CIAS-MS for detecting bound ligands and ranking their affinities even under challenging conditions where traditional native MS fails. These findings establish CIAS-MS as a scalable and efficient platform for high-throughput ligand discovery and proteome-wide target engagement studies, offering a powerful addition to the biophysical toolkit for modern drug discovery.

Advancing Collision-Induced Affinity Selection Mass Spectrometry for Quantitative Ligand Analysis in Complex Mixtures #AC pubs.acs.org/doi/10.1021/...

04.03.2026 19:23 👍 0 🔁 0 💬 0 📌 0
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Ultra-High-Resolution MS1-Based Quantification with Chimeric Spectra Deconvolution Enables In-Depth Quantitative Proteomics and Application in Whole-Tissue Spatial Proteomics Achieving in-depth, high-quality protein quantification is essential for proteomics in pharmaceutical and clinical investigations. Ultra-high-resolution (UHR) MS1-based proteomics quantification, reco...

Ultra-High-Resolution MS1-Based Quantification with Chimeric Spectra Deconvolution Enables In-Depth Quantitative Proteomics and Application in Whole-Tissue Spatial Proteomics #AC pubs.acs.org/doi/10.1021/...

04.03.2026 19:21 👍 0 🔁 0 💬 0 📌 0
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Mass spectral fingerprinting of chemical weapons convention-relevant sulfur–oxygen heterocyclic alkylphosphonate esters by EI and PCI GC-MS - MV Jagadish, Mukesh K Singh, Shubham Yadav, Anil Kumar, Mo... Reliable detection and unequivocal identification of chemical warfare agents, their precursors, and degradation products are central to verification activities ...

Mass spectral fingerprinting of chemical weapons convention-relevant sulfur–oxygen heterocyclic alkylphosphonate esters by EI and PCI GC-MS #EJMS journals.sagepub.com/doi/10.1177/...

03.03.2026 20:25 👍 0 🔁 0 💬 0 📌 0
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Exploring Fluoroquinolone Protomer Populations Formed with MALDI and Plasma Post-Ionization Mass Spectrometry Molecules that possess more than one protonation site can form protonation site isomers (protomers) in mass spectrometry. During the ionization process, a change in protonation site can alter the resulting collision-induced dissociation mass spectrum, which can hamper the accurate confirmation of unknown analytes in mass spectrometry workflows. In this study, we report the presence of protomers for ten fluoroquinolone antibiotics in a conventional matrix-assisted laser desorption ionization (MALDI) ion source and compare this against an atmospheric pressure MALDI plasma postionization (AP-MALDI-PPI) source. Irrespective of matrix composition, only the most stable protomer forms in a conventional MALDI ion source, which is consistent with a thermodynamically driven MALDI ionization process. In contrast, between 1–3 protomers form with an AP-MALDI-PPI source and this demonstrates that a different mechanism is responsible for analyte protonation. Protomer populations can be biased to favor the most stable protomer with high proton affinity MALDI matrices. Protomer populations can also be biased by doping the plasma with methanol or acetonitrile solvent vapor. Fluoroquinolone protomers are separated by trapped-ion mobility spectrometry (TIMS) and subjected to collision-induced dissociation. The protonation sites are assigned by the presence of unique fragment ions and comparing experimentally derived collisional cross sections TIMSCCSN2 against trajectory method CCSN2 calculations at the ωB97X-D/aug-cc-pVDZ//ωB97X-D/cc-pVDZ level of theory. This composite study shows that protomer population ratios change between MALDI and AP-MALDI-PPI ion sources, sample preparation method, and analyte structure, which can affect their ion mobility distributions and potentially impact their faithful confirmation.

Exploring Fluoroquinolone Protomer Populations Formed with MALDI and Plasma Post-Ionization Mass Spectrometry #JASMS pubs.acs.org/doi/10.1021/...

03.03.2026 20:21 👍 0 🔁 0 💬 0 📌 0
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Negative Gaseous Ions in Positive-Voltage Electrospray Ionization Mass Spectrometry Here, we report a serendipitous observation of negative ions in positive-voltage electrospray ionization (ESI) mass spectrometry (MS). Several previous studies have demonstrated that electrospray operated with positive voltage can generate droplets carrying a negative net charge. Our spray current measurements on a counter electrode with concentric conductive rings indicate the presence of negative species within the charged aerosol produced by positive voltage electrospray. MS measurements performed in negative-ion mode captured negative ions generated by positive electrospray, both in the presence and absence of nebulizing gas. Analyte structure influences the ability of positive electrospray to generate the corresponding negative ions. The MS intensities produced by positive and negative ions were compared when positive and no voltage was applied to the electrospray. Possible mechanisms underlying these observations are discussed in the context of recent literature. These findings represent the first direct MS measurement of negative desolvated gaseous ions from standard positive electrosprays and provide new mechanistic insights that may inform future ESI development.

Negative Gaseous Ions in Positive-Voltage Electrospray Ionization Mass Spectrometry #AC pubs.acs.org/doi/10.1021/...

03.03.2026 20:18 👍 1 🔁 0 💬 0 📌 0
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High Coverage Quantitative Lipidomic Analysis for Multiple Biological Matrices Using Ultrahigh-Performance Liquid-Chromatography and Tandem Mass Spectrometry The lipid composition (lipidome) in biological samples is extremely complex, having diverse biofunctions. Quantifying lipidomes with high coverage is vital to understand such functions but challenging...

High Coverage Quantitative Lipidomic Analysis for Multiple Biological Matrices Using Ultrahigh-Performance Liquid-Chromatography and Tandem Mass Spectrometry #AC pubs.acs.org/doi/10.1021/...

03.03.2026 20:18 👍 0 🔁 0 💬 0 📌 0
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TiO2 Aerogel Decorated with Pt Nanoparticles for the Analysis of Hardly Ionizable Metabolites Using Laser Desorption/Ionization Mass Spectrometry Matrix-assisted laser desorption/ionization time-of-flight mass spectrometry (MALDI-ToF MS) conventionally uses organic matrices for analyte ionization under ultraviolet-laser irradiation. For the effective analysis of small molecules (m/z < 500), nanostructured inorganic matrices have been developed to eliminate background noise from fragmented organic matrices as well as to enhance analyte ionization. Despite their potential, achieving high ionization efficiency without compromising the inherent porosity of the matrix remains a challenge. Herein, a TiO2 aerogel decorated with Pt nanoparticles (PtNP-TiO2 aerogel) was developed as an interface-mediated solid-state inorganic matrix using a nanoparticle-based incorporation strategy to preserve the network-derived textural porosity of the framework. The interfacial coupling between PtNPs and TiO2 simultaneously promoted photocatalytic ionization through an elongated carrier lifetime and enhanced analyte desorption by the localized photothermal conversion of the PtNPs. Specifically, structural analysis revealed that the incorporated PtNPs induced phase transformation and lattice distortion by forming metal–semiconductor interfaces at the aerogel framework. The photothermal behavior of the decorated PtNPs was verified using preionized dyes as desorption probes, confirming efficient local heat transfer. Furthermore, the enhanced surface ionization of the PtNP-TiO2 aerogel was attributed to the Schottky barrier formation at the PtNP-TiO2 aerogel interface. These interfaces facilitated efficient charge carrier separation through lattice distortion-induced shallow trap states, leading to improved ionization. Finally, PtNP-TiO2 aerogel-based LDI-MS demonstrated versatility in the quantitative analysis of small metabolites with inherently low ionization efficiencies.

TiO2 Aerogel Decorated with Pt Nanoparticles for the Analysis of Hardly Ionizable Metabolites Using Laser Desorption/Ionization Mass Spectrometry #ACSAMI pubs.acs.org/doi/10.1021/...

03.03.2026 13:30 👍 0 🔁 0 💬 0 📌 0
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Spatial Neurobiology in Brain Organoids Using Mass Spectrometry Imaging-Based Multiomics Approach Brain organoids are stem cell-derived, three-dimensional models that more accurately mimic the cellular complexity and architecture of human brain tissues compared to traditional two-dimensional (2D) cultures or animal models. Their physiological relevance and human-specific neurobiology enhance translational research while aligning with current regulatory shifts toward reducing animal testing in biomedical science. A thorough understanding of the molecular landscape of various biomolecules, such as lipids, metabolites, proteins, and glycans in physiologically relevant brain models, such as organoids, is essential to deciphering complex neurobiology. While mass spectrometry has long been used to understand such molecular landscape in tissues, a single-omics approach is insufficient to fully capture the complexity of brain biology. Therefore, multiomics strategies, such as high-resolution mass spectrometry imaging (MSI), mass spectrometry-based proteomics, and lipidomics, together can provide a holistic view of biomolecular interplay within tissue microenvironments. Moreover, since MSI retains spatial information within tissues, MSI-based multiomics approaches hold immense potential to uncover complex neurobiology within brain organoids. In this article, we present our perspectives on leveraging MSI-based multiomics in brain organoids to understand the complex molecular interplay underlying neurobiology.

Spatial Neurobiology in Brain Organoids Using Mass Spectrometry Imaging-Based Multiomics Approach #ACSChemNeurosci pubs.acs.org/doi/10.1021/...

03.03.2026 13:29 👍 0 🔁 0 💬 0 📌 0
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Diagnosing melioidosis and tracking treatment outcomes using breath Diagnosing melioidosis and tracking treatment outcomes using breath, Gao, Antao, Mayo, Mark, Woerle, Celeste, Currie, Bart, Hill, Jane E

Diagnosing melioidosis and tracking treatment outcomes using breath #JBreathRes #MassSpec iopscience.iop.org/article/10.1...

03.03.2026 13:28 👍 0 🔁 0 💬 0 📌 0
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Atmospheric fate of 4:2 fluorotelomer alcohol using an oxidation flow reactor and proton transfer reaction time-of-flight mass spectrometry Commonly used methodologies applied to studying the atmospheric degradation of per- and polyfluoroalkyl substances (PFAS) require analyses to be conducted offline and under dry conditions, potentially...

Atmospheric fate of 4:2 fluorotelomer alcohol using an oxidation flow reactor and proton transfer reaction time-of-flight mass spectrometry #ESPI pubs.rsc.org/en/content/a...

03.03.2026 13:27 👍 0 🔁 0 💬 0 📌 0
Comparison of metabolite differences and pharmacologically active constituents between Piper longum and Piper sarmentosum based on non-targeted metabolomics Piper longum and Piper sarmentosum are plants of the Piperaceae family, rich in secondary metabolites, with various medicinal and food values. They are highly similar in morphology, but differ in thei...

Comparison of metabolite differences and pharmacologically active constituents between Piper longum and Piper sarmentosum based on non-targeted metabolomics #PeerJ #MassSpec peerj.com/articles/207...

03.03.2026 13:26 👍 0 🔁 0 💬 0 📌 0