Kermit Murray

Component‐Programmed Self‐Assembly for Topological Transformation: From a 2D Network to a Discrete Star of David A novel component-controlled strategy enables an unprecedented 2D to 0D topological transformation, converting a metal-organic network into a discrete hexagon-framed Star of David structure via a modulator ligand. The extended 2D network shows improved photocatalytic performance compared to its 0D analogue. ABSTRACT Controllable modifications on dimensionalities and topologies of supramolecules are crucial for tuning their properties. Here, we report a robust component-controlled topological transformation, initiating with a two-dimensional (2D) layered coordination network S2 formed by the self-assembly of a metallo-organic ligand (MOL) LA with Zn(II). The strategic introduction of a V-shaped modulator LB with peripheral arms into the S2 system triggered a remarkable topological transformation, thus affording a discrete zero-dimensional (0D) hexagon-framed Star of David S1. This unprecedented 2D to 0D control facilitates direct comparison of their intrinsic properties, with structures unequivocally confirmed by nuclear magnetic resonance (NMR) spectroscopy, high-resolution electrospray ionization mass spectrometry (ESI-MS), traveling-wave ion mobility mass spectrometry (TWIM-MS), and microscopy. In the aerobic sulfide oxidation, the extended 2D network S2 exhibited significantly improved photocatalytic performance over S1. This enhanced efficiency was attributed to S2’s pseudo-heterogeneous nature, which maximizes active site exposure and overcomes typical limitations of heterogeneous catalysts. This work not only establishes a novel strategy for controlling supramolecular architecture but also compellingly demonstrates that for catalytic applications, ensuring active site accessibility through judicious structural design can be a more potent strategy than pursuing isolated structural complexity.

(Angew Chem) Component‐Programmed Self‐Assembly for Topological Transformation: From a 2D Network to a Discrete Star of David: A novel component-controlled strategy enables an unprecedented 2D to 0D topological transformation, converting a metal-organic network into a… (RSS) #AngewChem #MassSpecRSS

Metabolomic Profiling of Serum Biomarkers in Women with Polycystic Ovary Syndrome: Insights from an Untargeted Approach Background: Polycystic ovary syndrome (PCOS) is a complex endocrine disorder characterized by metabolic dysregulation. Identifying serum biomarkers can enhance our understanding of its pathophysiology. This study employs an untargeted metabolomic approach to investigate metabolic alterations in PCOS. Methods: Serum samples were collected from 71 women with PCOS and 54 healthy controls. Untargeted Metabolomic profiling was performed using liquid chromatography-mass spectrometry (LC-MS) to identify differentially abundant metabolites. Pathway analysis was conducted to identify key metabolic disruptions, and correlations between identified metabolites and clinical parameters were assessed. Results: The metabolomics analysis identified 24 upregulated and 17 downregulated metabolites in PCOS compared with controls. These metabolites mainly include glycerophospholipids, fatty acids, sphingolipids, peptides, ceramides, and steroids. Pathway analysis indicated that these metabolites were enriched in pathways including bile acid biosynthesis, glycerolipid metabolism, tryptophan metabolism, the citric acid cycle, and fatty acid metabolism. Increased levels of branched-chain and aromatic amino acids suggested potential links to insulin resistance. Disruptions in bile acid metabolism pointed to altered gut microbiome interactions. Additionally, metabolites related to oxidative stress and mitochondrial function indicated metabolic dysfunction. Correlation analyses revealed associations between altered metabolites and clinical markers such as insulin resistance and androgen levels. Conclusion: This study reveals distinct serum metabolic alterations in PCOS, emphasizing their association with insulin resistance and inflammation. These findings highlight the potential of metabolomics to identify novel biomarkers for early diagnosis and to develop targeted therapeutic strategies.

(BioRxiv All) Metabolomic Profiling of Serum Biomarkers in Women with Polycystic Ovary Syndrome: Insights from an Untargeted Approach: Background: Polycystic ovary syndrome (PCOS) is a complex endocrine disorder characterized by metabolic dysregulation. Identifying serum… #BioRxiv #MassSpecRSS

[ASAP] Capillary Electrophoresis Mass Spectrometry Interfacing via Multifunctional Vibrating Sharp Edge Ionization Spray for the Simultaneous Delivery of an Auxiliary Flow, Analyte Mixing, and Fluid Nebulization Analytical ChemistryDOI: 10.1021/acs.analchem.5c04794

(ACS Anal Chem) [ASAP] Capillary Electrophoresis Mass Spectrometry Interfacing via Multifunctional Vibrating Sharp Edge Ionization Spray for the Simultaneous Delivery of an Auxiliary Flow, Analyte Mixing, and Fluid Nebulization: Analytical ChemistryDOI:… #MassSpecRSS #ACSAChem

(IJMS) Humidity dependence and selection of reagent ions for measuring volatile organic compounds by selected ion flow tube mass spectrometry (SIFT-MS) with nitrogen carrier gas: Publication date: Available online 28 February 2026

Source: International Journal of Mass… #ijms #MassSpecRSS

(J Chrom B) Identification and characterization of atirmociclib metabolites through high resolution-mass spectrometry-based in vitro and in vivo rat biological sample analysis: Publication date: Available online 27 February 2026

Source: Journal of Chromatography B

Author(s):… #JChrom #MassSpecRSS

Quantitative proteomics of intracellular and axenic amastigote-like forms of Trypanosoma cruzi under replicative and non-replicative conditions Publication date: Available online 27 February 2026 Source: Journal of Proteomics Author(s): Reynaldo Magalhães Melo, Agnelo Rodrigues de Souza, Agenor de Castro Moreira dos Santos Júnior, Tarcila Zuleica Zaparolli Lopes, Jaime Martins Santana, Izabela Dourado Bastos, Flavia Nader Motta, Jaques Miranda Ferreira de Souza, Sébastien Charneau, Marcelo Valle de Sousa, Wagner Fontes, Beatriz Dolabela de Lima, Carlos André Ornelas Ricart

(J Proteom) Quantitative proteomics of intracellular and axenic amastigote-like forms of Trypanosoma cruzi under replicative and non-replicative conditions: Publication date: Available online 27 February 2026

Source: Journal of Proteomics

Author(s): Reynaldo Magalhães Melo, Agnelo… #MassSpecRSS

T‐Shaped Stannyliumylidene Ion: Synthesis, Reactivity, and Redox Catalysis Tin redox catalysis: T-shaped stannyliumylidene ion bearing a rigid pincer ligand has been synthesized and characterized. This cationic Sn(II) complex presents ambiphilic reactivity and engages in the σ-bond activation and catalytic transfer hydrogenation. Experimental and mechanistic investigation reveal a distinct FLP-mediated Sn(II)/Sn(IV) redox platform, offering a new paradigm for main group catalysis. ABSTRACT We report the synthesis and characterization of a T-shaped, 8-electron stannyliumylidene ion bearing a rigid acridane-based pincer ligand. This cationic Sn(II) complex exhibits pronounced ambiphilic reactivity, participating in electrophilic, nucleophilic, and σ-bond activation reactions. All derived compounds were characterized by nuclear magnetic resonance spectroscopy, single crystal x-ray diffraction analysis, and high-resolution mass spectrometry. Density functional theory calculations reveal the coexistence of a lone pair of electrons and a vacant 5p-orbital at the tin center, which rationalizes the experimentally observed dual reactivity. Remarkably, the transition metal-like electronic structure enables this organotin(II) species to act as an efficient catalyst for transfer hydrogenation of azoarenes and imines using NH3BH3 as hydrogen source. Combined experimental and computational mechanistic studies reveal a distinct catalytic platform based on Sn(II)/Sn(IV) redox cycle at a single tin(II) center. This work demonstrates the first Sn(II)/Sn(IV) catalyzed reduction of unsaturated bonds, offering a paradigm for mimicking transition metal reactivity through rationally designed main group systems in mediating diverse chemical transformations.

(Angew Chem) T‐Shaped Stannyliumylidene Ion: Synthesis, Reactivity, and Redox Catalysis: Tin redox catalysis: T-shaped stannyliumylidene ion bearing a rigid pincer ligand has been synthesized and characterized. This cationic Sn(II) complex presents ambiphilic… (RSS) #AngewChem #MassSpecRSS

Direct interaction of ribosomes with postsynaptic proteins gives rise to a privileged local synaptic translatome Ribosomes and thousands of mRNAs are localized near synapses to support local protein synthesis. Little is known, however, about how ribosomes are positioned and maintained in dendritic spines- the primary postsynaptic sites of excitatory neurotransmission. Here, using proximity labeling-mass spectrometry, we mapped the interactome of postsynaptic ribosomes, and discovered an unexpected interaction with AMPA receptor complex proteins. Co-immunoprecipitation and crosslinking mass spectrometry using rat cortical synaptosomes showed a direct, mRNA-independent interaction between postsynaptic proteins and intact ribosomes. Immunoprecipitation-ribosome profiling (IP-Ribo-seq) revealed not only the complete synaptic translatome but also that the AMPA receptor-associated subpopulation of synaptic ribosomes preferentially translates mRNAs encoding proteins related to post-synaptic density (PSD) scaffolding and cytoskeletal dynamics. Translation of one of the mRNA targets, Camk2a, was reduced in spines following ER sequestration of endogenous GluA1. Together, these results reveal a role for PSD proteins in positioning ribosomes near the postsynaptic membrane, providing a mechanism to couple synaptic activity with the local production of proteins needed for structural remodeling.

(BioRxiv All) Direct interaction of ribosomes with postsynaptic proteins gives rise to a privileged local synaptic translatome: Ribosomes and thousands of mRNAs are localized near synapses to support local protein synthesis. Little is known, however, about how ribosomes are… #BioRxiv #MassSpecRSS

Integrin beta 1 and mannose receptor 2 are involved in the antifungal activity of bronchial epithelial cells through Aspergillus fumigatus lectin FleA interactions Aspergillus fumigatus is a world-wide saprophyte filamentous fungus which released conidia, its infectious morphotype, in the atmosphere. These conidia are inhaled daily by humans and can colonize the respiratory tract, where they may develop into hyphae, the invasive morphotype. We previously showed that bronchial epithelial cells (BECs) restrict A. fumigatus virulence by inhibiting conidial germination and filament formation through a process requiring PI3K signaling and the conidial fucose-specific lectin FleA. In the present study, we are looking to identify host factors and cellular partners involved in the BEC antifungal response and to define the molecular interactions underpinning FleA recognition. For this, we analyzed transcriptome of BECs infected with A. fumigatus in the presence or absence of the PI3K inhibitor LY294002. Functional involvement of candidate genes was assessed by siRNA knockdown and readouts of fungal filamentation (microscopic scoring and galactomannan release). FleA-interacting host proteins were identified by biotin-FleA affinity co-precipitation coupled to Tandem mass spectrometry, and validated by surface plasmon resonance and biolayer interferometry. The spatiotemporal dynamics of FleA and candidate partners were analyzed by confocal microscopy and proximity ligation assay. We demonstrated that BEC antifungal activity involves at least two complementary pathways: a PI3K/laminin-332 axis promoting conidial adhesion, and a FleA-dependent pathway engaging ITGB1 and MRC2 consistent with lectin uptake and trafficking toward LAMP1-positive compartments. These findings nominate FleA-host receptor interactions as attractive targets for anti-adhesive strategies against A. fumigatus.

(BioRxiv All) Integrin beta 1 and mannose receptor 2 are involved in the antifungal activity of bronchial epithelial cells through Aspergillus fumigatus lectin FleA interactions: Aspergillus fumigatus is a world-wide saprophyte filamentous fungus which released conidia, its… #BioRxiv #MassSpecRSS

Integrative astral-DIA proteomics and transcriptomics reveal candidate salt-tolerance genes in the halophyte Hordeum marinum Publication date: Available online 26 February 2026 Source: Journal of Proteomics Author(s): Hongxing Zhou, Boyang Zhang, Lin Li, Dezhi Wu, Liuhui Kuang

(J Proteom) Integrative astral-DIA proteomics and transcriptomics reveal candidate salt-tolerance genes in the halophyte Hordeum marinum: Publication date: Available online 26 February 2026

Source: Journal of Proteomics

Author(s): Hongxing Zhou, Boyang Zhang, Lin Li, Dezhi Wu, Liuhui… #MassSpecRSS

[ASAP] Exploring the Potential of Ultrafast Arylation for Capping Cysteine Residues with Fixed Charge Modifications Journal of the American Society for Mass SpectrometryDOI: 10.1021/jasms.5c00400

(JASMS) [ASAP] Exploring the Potential of Ultrafast Arylation for Capping Cysteine Residues with Fixed Charge Modifications: Journal of the American Society for Mass SpectrometryDOI: 10.1021/jasms.5c00400 (RSS) #MassSpecRSS #JASMS

[ASAP] Response Factor Correction for Quantitative Determination of Homooligomeric SsoSSB Binding to ssDNA by Native Mass Spectrometry Journal of the American Society for Mass SpectrometryDOI: 10.1021/jasms.5c00446

(JASMS) [ASAP] Response Factor Correction for Quantitative Determination of Homooligomeric SsoSSB Binding to ssDNA by Native Mass Spectrometry: Journal of the American Society for Mass SpectrometryDOI: 10.1021/jasms.5c00446 (RSS) #MassSpecRSS #JASMS

Analysis of stress-induced surfaceome remodeling reveals surface accumulation of the cation-independent mannose-6-phosphate receptor (CI-M6PR) To ensure their survival in the face of stressors, cells have evolved stress response programs. While several transcriptional stress responses have been elucidated, little is known about the impact of stressors on membrane transport and the protein composition of the cell surface. Yet, the dynamic remodeling of the surfaceome by processes such as endocytosis is likely central for the adaptation to stress as it shapes cellular responses by influencing ion uptake and numerous signaling cascades. Indeed, we show that different stressors decrease endocytosis, thereby facilitating cellular adaptation. Using quantitative mass spectrometry, we delineate stress-specific surfaceome alterations in response to osmotic, oxidative and heat stress. Among other adaptive changes, we uncover that osmotic stress leads to a striking surface accumulation of the cation-independent mannose-6-phosphate receptor (CI-M6PR). Mechanistically, we demonstrate that osmotic stress decreases the endocytosis of CI-M6PR while upregulating its lysosomal exocytosis. These results suggest that CI-M6PR might play an important role in the cellular resilience against osmotic stress.

(BioRxiv All) Analysis of stress-induced surfaceome remodeling reveals surface accumulation of the cation-independent mannose-6-phosphate receptor (CI-M6PR): To ensure their survival in the face of stressors, cells have evolved stress response programs. While several… #BioRxiv #MassSpecRSS

[ASAP] LCMS-Net: Deep Learning for Raw High Resolution Mass Spectrometry Data Applied to Forensic Cause-of-Death Screening Analytical ChemistryDOI: 10.1021/acs.analchem.5c05404

(ACS Anal Chem) [ASAP] LCMS-Net: Deep Learning for Raw High Resolution Mass Spectrometry Data Applied to Forensic Cause-of-Death Screening: Analytical ChemistryDOI: 10.1021/acs.analchem.5c05404 #MassSpecRSS #ACSAChem

[ASAP] The New Scanning Mode in Digital Linear Ion Trap Mass Spectrometry for the Detection of New Psychoactive Substances in E-Cigarette Oils Analytical ChemistryDOI: 10.1021/acs.analchem.5c06797

(ACS Anal Chem) [ASAP] The New Scanning Mode in Digital Linear Ion Trap Mass Spectrometry for the Detection of New Psychoactive Substances in E-Cigarette Oils: Analytical ChemistryDOI: 10.1021/acs.analchem.5c06797 #MassSpecRSS #ACSAChem

(IJMS) Graphical abstract TOC: Publication date: April 2026

Source: International Journal of Mass Spectrometry, Volume 522

Author(s): #ijms #MassSpecRSS

(IJMS) Graphical abstract TOC: Publication date: April 2026

Source: International Journal of Mass Spectrometry, Volume 522

Author(s): #ijms #MassSpecRSS

Enhanced capillary electrophoresis-mass spectrometry with deactivated fused-silica capillaries for bovine milk protein profiling and A2 milk authentication Publication date: Available online 27 February 2026 Source: Talanta Author(s): Tahereh Tehrani, Laura Pont, Bibiana Juan, Antonio-José Trujillo, Fernando Benavente

(Talanta) Enhanced capillary electrophoresis-mass spectrometry with deactivated fused-silica capillaries for bovine milk protein profiling and A2 milk authentication: Publication date: Available online 27 February 2026

Source: Talanta

Author(s): Tahereh Tehrani, Laura Pont,… #Talanta #MassSpecRSS

(J Chrom B) Bioactivity profiling of Lamium album by HPTLC combined with effect-directed analysis and high-resolution tandem mass spectrometry: Publication date: Available online 26 February 2026

Source: Journal of Chromatography B

Author(s): Julia Baumli, Ágnes M. Móricz,… #JChrom #MassSpecRSS

Performance evaluation of an automated mass spectrometry system for the measurement and isotyping of monoclonal immunoglobulins Publication date: Available online 27 February 2026 Source: Clinica Chimica Acta Author(s): Jamie Ashby, Daniel McEntee, Dhananjay Sakrikar, Luke Ouverson, Rhiannon Stanton, Nia Marrott, Roshani R. Patel, Cristina Simion, Syreeta Allen, Manisha Bhutani, David M. Foureau, Kaleb B. McLendon, Andrew S. Neish, Habib El-Khoury, Irene M. Ghobrial, David Barnidge, Gabriella Lakos, Mark Perkins, Stephen Harding, Oscar Berlanga

(Clin Chim Acta) Performance evaluation of an automated mass spectrometry system for the measurement and isotyping of monoclonal immunoglobulins: Publication date: Available online 27 February 2026

Source: Clinica Chimica Acta

Author(s): Jamie Ashby, Daniel McEntee,… #ClinChemActa #MassSpecRSS

Therapeutic Drug Monitoring of Clobazam, Perampanel, and Lacosamide Using a UPLC‐MS/MS Method: Analysis of 5‐Year Experience in a Large Cohort of Pediatric Epilepsy Patients From China ABSTRACT This study aims to develop an ultra high-performance liquid chromatography–mass spectrometry (UPLC-MS/MS) method to quantify clobazam, perampanel, and lacosamide plasma concentrations in pediatric epilepsy patients. Elution was performed using a gradient elution program, with a mobile phase composed of 0.01% formic acid in water and 0.01% formic acid in acetonitrile. The flow rate was 0.6 mL/min. The injector temperature was 10°C. The injection volume was 4 μL. Linearity, sensitivity, precision, accuracy, specificity, carryover, and extraction recovery were evaluated. Therapeutic drug monitoring data of 1132 samples were analyzed. The method was linear within 10–600 ng/mL, 100–2000 ng/mL, and 1.0–30.0 μg/mL for clobazam, perampanel, and lacosamide, respectively (r ≥ 0.998). The results indicated that the within-run and between-run precision coefficient of variation (CV %) did not exceed 15.0%, and that the accuracy (bias) ranged from −8.3% to 13.6%. Recovery ranged from 90.9% to 108.1%. All plasma samples could be maintained for up to 3 h at ambient temperature, 24 h at 4°C, 30 days at −30°C, and after successive freeze–thaw cycles in the absence of significant degradation. We successfully developed a simple and rapid LC-MS/MS method for the simultaneous measurement of three new generation ASMs, and successfully applied it to clinical practice.

(Biomed Chrom) Therapeutic Drug Monitoring of Clobazam, Perampanel, and Lacosamide Using a UPLC‐MS/MS Method: Analysis of 5‐Year Experience in a Large Cohort of Pediatric Epilepsy Patients From China: ABSTRACT




This study aims to develop an ultra high-performance liquid… #massSpecRSS #biomedchrom

A Simple and Sensitive LC‐MS/MS Method for Quantification of Capsaicin in Human Plasma and Its Application to a Clinical Pharmacokinetic Study ABSTRACT Capsaicin, a transient receptor potential vanilloid 1 (TRPV1) agonist, is used topically for neuropathic pain. Its minimal systemic absorption necessitates highly sensitive quantification methods to accurately assess systemic exposure. This study aimed to develop and validate a simple, rapid, and highly sensitive liquid chromatography–tandem mass spectrometry (LC-MS/MS) method for the quantification of capsaicin in human plasma. Plasma samples (50 μL) were prepared by a simple protein precipitation using acetonitrile, with capsaicin-d3 as the internal standard (IS). Chromatographic separation was performed on a Waters Xbridge C18 column (2.1 × 50 mm, 3.5 μm) with a 3-min gradient elution using 1% formic acid in water and acetonitrile. Detection was conducted on a triple quadrupole tandem mass spectrometer in positive electrospray ionization (ESI) mode, utilizing multiple-reaction monitoring (MRM). The assay was validated over the linear range of 0.05–50 ng/mL. The method demonstrated excellent precision (CV% ≤ 11.62%) and accuracy (RE% within ±13.60%), with high recovery (>95%). Stability was confirmed under various conditions relevant to clinical sample handling. The validated method was successfully applied to a pharmacokinetic study involving 24 patients with knee osteoarthritis receiving a topical capsaicin liniment, demonstrating its suitability for clinical applications.

(Biomed Chrom) A Simple and Sensitive LC‐MS/MS Method for Quantification of Capsaicin in Human Plasma and Its Application to a Clinical Pharmacokinetic Study: ABSTRACT




Capsaicin, a transient receptor potential vanilloid 1 (TRPV1) agonist, is used topically for… #massSpecRSS #biomedchrom

Editorial: Artificial Intelligence in Ion Mobility Spectrometry‐Mass Spectrometry for Omics Research Journal of Mass Spectrometry, Volume 61, Issue 3, March 2026.

(J Mass Spectrom) Editorial: Artificial Intelligence in Ion Mobility Spectrometry‐Mass Spectrometry for Omics Research: Journal of Mass Spectrometry, Volume 61, Issue 3, March 2026. #JMassSpectrom #MassSpecRSS

Top–Down Proteomics of Skinned Human Muscle Fibers Reveals Proteoform‐Resolved Fiber‐to‐Fiber Variability Journal of Mass Spectrometry, Volume 61, Issue 3, March 2026.

(J Mass Spectrom) Top–Down Proteomics of Skinned Human Muscle Fibers Reveals Proteoform‐Resolved Fiber‐to‐Fiber Variability: Journal of Mass Spectrometry, Volume 61, Issue 3, March 2026. #JMassSpectrom #MassSpecRSS

Investigation of the Protective Effect of Stemona Alkaloids on Acute Lung Injury via LC–MS/MS‐Based Sphingolipid Metabolomic Profiling Journal of Mass Spectrometry, Volume 61, Issue 3, March 2026.

(J Mass Spectrom) Investigation of the Protective Effect of Stemona Alkaloids on Acute Lung Injury via LC–MS/MS‐Based Sphingolipid Metabolomic Profiling: Journal of Mass Spectrometry, Volume 61, Issue 3, March 2026. #JMassSpectrom #MassSpecRSS

Data‐Independent Acquisition Enhancement of a Competitive Activity‐Based Protein Profiling Platform for Kinase Inhibitor Screening Journal of Mass Spectrometry, Volume 61, Issue 3, March 2026.

(J Mass Spectrom) Data‐Independent Acquisition Enhancement of a Competitive Activity‐Based Protein Profiling Platform for Kinase Inhibitor Screening: Journal of Mass Spectrometry, Volume 61, Issue 3, March 2026. #JMassSpectrom #MassSpecRSS

Advances in Mass Spectrometry Instrumentation and Methodology for Analysis of Alternative Protein Isoforms Journal of Mass Spectrometry, Volume 61, Issue 3, March 2026.

(J Mass Spectrom) Advances in Mass Spectrometry Instrumentation and Methodology for Analysis of Alternative Protein Isoforms: Journal of Mass Spectrometry, Volume 61, Issue 3, March 2026. #JMassSpectrom #MassSpecRSS

Imaging Mass Spectrometry‐Based Assessment of ER, PR, and HER2 Protein Expression in Breast Cancer PROTEOMICS, EarlyView.

(Proteomics) Imaging Mass Spectrometry‐Based Assessment of ER, PR, and HER2 Protein Expression in Breast Cancer: PROTEOMICS, EarlyView. #MassSpecRSS

(BioRxiv All) Dynamic engagement of dual-role regulators by the Sin3 complex: Gene expression is governed by dynamic switches between repressive and activating transcriptional states. Among the molecules mediating these transitions, chromatin readers and transcription factors… #BioRxiv #MassSpecRSS

(BioRxiv All) Deep Learning-Driven Discovery of Mitochondrial Factors Modulating Influenza A Virus Infection: Influenza virus remains a major public health threat, highlighting the need to identify host proteins that regulate viral replication. In this study, we identify… #BioRxiv #MassSpecRSS