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- Liquid chromatography coupled to mass spectrometry (LC-MS) is a powerful analytical technique for analyzing biological macromolecules. A long-standing challenge has been applying LC-MS at physiological pH under native conditions using volatile buffers. The predominant 'buffer' used, ammonium acetate (AmAc, pKa 4.75 for acetic acid and 9.25 for ammonium), does not offer sufficient buffering capacity in the physiological pH range of 7.0-7.4. To address this, we evaluated a set of fluorinated ethylamines, 2-fluoroethylamine (MFEA, pKa 8.9), 2,2-difluoroethylamine (DFEA, pKa 7.2), and […]
- Cryptic pockets are transient structural features that provide new opportunities for therapeutic intervention, yet their dynamic properties in physiologically relevant environments remain poorly understood. We have identified one such pocket in the interferon inhibitory domain (IID) of Ebola viral protein 35 (eVP35) and demonstrated that it allosterically regulates double-stranded RNA (dsRNA) binding, a crucial step in immune evasion. However, cellular environments, which are rich in dense macromolecular structures, may impose spatial constraints on VP35, potentially affecting the accessibility and function […]
- Mass spectrometry-based single-cell proteomics emerges as the most promising method for studying cellular heterogeneity at the global proteome level with unprecedented depth and coverage. Its widespread application remains limited due to robustness, reproducibility, and throughput requirements, still difficult to meet as analyzing large cohorts of single cells is necessary to ensure statistical confidence. In this context, we have conducted method optimizations at three levels. First, we benchmarked three distinct workflows compatible with the nanoElute2 platform using different sample collection/preparation plate […]
- Tissue expansion-enhanced mass-spectrometry imaging decodes biomolecular landscapes
- In the agricultural sector, antibiotics have been used to improve swine growth performance. This application is banned nowadays, due to increased risk of antibiotic resistance. In piglets this results in a higher prevalence of post-weaning diarrhoea, deteriorating both animal health and performance. Our goal was to find a metabolite signature separating piglets with low faecal consistency score (FCS) from piglets with normal faecal consistency and determine which pathways were enriched in this signature. By using direct infusion mass spectrometry on […]
- Journal of Agricultural and Food ChemistryDOI: 10.1021/acs.jafc.5c11135
- Analytical ChemistryDOI: 10.1021/acs.analchem.5c05003
- Journal of Mass Spectrometry, Volume 60, Issue 12, December 2025.
- Publication date: Available online 17 November 2025Source: Journal of Chromatography AAuthor(s): Hiroyuki Togawa, Takao Yamaguchi, Junji Kawakami, Satoshi Obika
- J. Anal. At. Spectrom., 2025, Advance ArticleDOI: 10.1039/D5JA00190K, Paper Open Access   This article is licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence.Anne-Laure FaurĂ©, Manon CornatonImprovement of Pu measurement in ”m-sized particles using LG-SIMS thanks to time-dependent hydride correction.To cite this article before page numbers are assigned, use the DOI form of citation above.The content of this RSS Feed (c) The Royal Society of Chemistry
- ABSTRACT Rationale Direct infusion mass spectrometry (DI-MS) is a rapid analytical technique widely used in omics research and other fields. However, the complexity of DI-MS spectra frequently leads to co-fragmentation of analytes with similar m/z, resulting in chimeric fragmentation spectra that complicate compound identification. A DI-based tandem mass spectrometric method (DI-MS2), which modulates the intensity of precursors and fragments by the stepwise movement of the quadrupole isolation window, has been shown to successfully deconvolute chimeric fragmentation spectra. Yet, its applicability […]
- ABSTRACT Recently, tilapia fish skin (TFS) has been applied to treat wounds. However the biological compounds in TFS have not been identified yet. Therefore, the objective of this study is to isolate and purify specific hydrophobic bioactive peptides using macroporous resin (XAD 7HP). Recovery rates for total peptides obtained by Bacillus licheniformis alcalase and Aspergillus oryzae protease were (81.26%â±â0.19%) and (80.21%â±â0.18%). Both purified hydrophobic bioactive peptides obtained by protease (BBPP) and alcalase (BBPA) presented high antioxidant capacity (30.4â±â0.5) and (42.1â±â0.6)âmg […]
- Publication date: Available online 15 November 2025Source: Analytica Chimica ActaAuthor(s): TaĆ„ĂĄna GazĂĄrkovĂĄ, KateĆina PlachkĂĄ, Hana KoÄovĂĄ VlÄkovĂĄ, Lucie NovĂĄkovĂĄ
- Publication date: Available online 16 November 2025Source: Journal of ProteomicsAuthor(s): Pedro de Lima Muniz, Michele Rodrigues Martins, Livia Goto-Silva, Leticia Rocha Quintino Souza, Wassali Valadares, FĂĄbio CĂ©sar Sousa Nogueira, Stevens Rehen, Guillaume Nugue, Magno Junqueira
- Publication date: Available online 15 November 2025Source: Journal of Chromatography AAuthor(s): Sebastian Hagenhoff, Antje Wegener, Matthias Pursch
- Methyl-CpG binding protein 2 (MeCP2) is a well-characterized DNA methylation reader that has recently been shown to interact with methylated histones. MeCP2 recognizes tri-methylated lysine 27 on histone H3 (H3K27me3) through an aromatic cage within its methyl-CpG binding domain (MBD), and this interaction contributes to the regulation of MeCP2 target genes. However, whether MeCP2 can bind methylated non-histone proteins remains unknown. In this study, we sought to identify novel, aromatic cage-dependent non-histone interacting partners of MeCP2 using an unnatural amino […]
- Analytical ChemistryDOI: 10.1021/acs.analchem.5c02746
- Determination of OxytetracyclineâFree Base in Oxytetracycline Hydrochloride by Mass Balance MethodABSTRACT A comprehensive mass balance approach was developed to quantitatively determine the oxytetracycline-free base in oxytetracycline hydrochloride. The measurement uncertainty of the reference material includes the uncertainty component introduced during the preparation process. The structural analogues of the principal components were quantitatively determined by liquid chromatography (HPLC-DAD), moisture was determined by the Karl Fischer method, nonvolatile impurities were determined by inductively coupled plasma mass spectrometry (ICP-MS), residual solvents were determined by headspace gas chromatography, and the content of chloride ions […]
- Publication date: Available online 15 November 2025Source: Journal of Chromatography AAuthor(s): Jirui Wang, Baolian Wan, Fuxia He, Guichun Shang, Weihan Qin, Xiaomei Zhang, Yong Yang, Hongyi Qi
- Bubble preconcentration coupled with SALDI-TOF MS for rapid detection of PFAS in environmental waterPer- and polyfluoroalkyl substances (PFASs) are highly persistent and bioaccumulative contaminants that pose serious ecological and human health risks even at trace levels. In this study, we developed a rapid and eco-friendly bubble preconcentrationâsurface-assisted laser desorption/ionization time-of-flight mass spectrometry (SALDI-TOF MS) method for PFAS detection in water. Compared with our previous design, the average bubble size was reduced from 312 to 243Â ÎŒm, enhancing the enrichment of short-chain PFASs. Using an iron-based metalâorganic framework (MIL-101(Fe)) as the assisting material, the method […]
- The determination of an equilibrium dissociation constant (Kd) alongside the maximum binding capacity (Bmax) of protein-ligand interactions is essential in understanding binding affinities and binding capacities which play a major role in the design and development of new therapeutic molecules. Rapid and accurate determination of these biophysical parameters (Kd and Bmax) in noncovalent protein-ligand interactions is desirable in the modern drug discovery process. Previously, we demonstrated the detection of noncovalent protein-ligand complexes by infrared-assisted matrix desorption electrospray ionization-mass spectrometry (IR-MALDESI-MS). […]
- ABSTRACT Bedaquiline (BDQ) is a diarylquinoline used for the treatment of multidrug-resistant tuberculosis (MDR-TB) with a mechanism of action that inhibits the mycobacterial adenosine triphosphate synthase. There is a limited literature on the pharmacokinetics (PK) of BDQ in MDR-TB patients globally and even less from India. We aimed to develop a rapid, selective, sensitive, and robust high-throughput liquid chromatographyâtandem mass spectrometry (LCâMS/MS) method to evaluate the PK of BDQ from the plasma of people with MDR-TB. The analyte was extracted […]
- Human papillomavirus (HPV)-driven epithelial cancers rely on actions of viral oncoproteins, notably E7, which disrupts cell cycle control through inactivation of the tumor suppressor pRb. While prophylactic vaccines prevent infection, effective therapeutics for existing HPV-associated malignancies remain lacking. Here, we investigate the natural diterpenoid anisomelic acid (AA) and its mechanism of promoting HPV16 E7 degradation. Using cellular thermal shift assay (CETSA), we demonstrate that AA binds to E7, increasing its thermal stability and suggesting a direct molecular interaction. Mass spectrometry-based […]
- J. Anal. At. Spectrom., 2025, Accepted ManuscriptDOI: 10.1039/D5JA00285K, Paper Open Access   This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.Steffen Hellmann, Teba Gil-DĂaz, Mario Corte-RodrĂguez, Dirk Merten, Maria Montes-Bayon, Thorsten SchaeferSingle particle Inductively Coupled Plasma â Mass Spectrometry (spICP-MS) is a valuable tool to characterise nanoparticles (NPs) regarding their element specific mass, size and particle number concentration (PNC). However, spICP-MS…The content of this RSS Feed (c) The Royal Society of Chemistry
- Pseudodata-based molecular structure generator to reveal unknown chemicals