BioMassSpec
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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
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realbiomassspec.bsky.social
Unveiling Chemical-Microbial Cascade Risk Factors from Plastic Pipe Leaching in Drinking Water #EST #MassSpec pubs.acs.org/doi/10.1021/...
Unveiling Chemical-Microbial Cascade Risk Factors from Plastic Pipe Leaching in Drinking Water
Plastic pipes are increasingly used in drinking water distribution systems, yet their impact on water quality remains insufficiently understood. Here, we systematically investigate the dual outcomes posed by plastic pipes─chemical leaching and cascaded microbial exposure risks─by integrating Fourier Transform Ion Cyclotron Resonance Mass Spectrometry and metagenomic analysis. Our results reveal that plastic pipes continuously release dissolved organic matter (DOM), including organic additives such as bisphenols (BPs) and organophosphate esters (OPEs), which profoundly reshape microbial communities. Under chlorinated conditions, leached DOM alters microbial diversity, promoting chlorine-resistant bacteria and opportunistic pathogens (OPs), while under nonchlorinated conditions, it accelerates microbial growth and enriches antibiotic resistance genes (ARGs), OPs, and virulence factors (VFs). Among plastic materials, polyethylene (PE) exhibited the highest chemical risk, releasing high concentrations of TCPP (700 ng/L) and BPF (200 ng/L) along with 207–227 unique DOM molecules. In contrast, polyvinyl chloride (PVC) supported the highest OP abundance, while polypropylene random copolymer (PPR) fostered the greatest OP diversity. These findings challenge conventional drinking water safety assessments that separate chemical contamination from microbial risk, underscoring the urgent need for an integrated risk assessment framework. Furthermore, they highlight the necessity of paying greater attention to the chemical and cascading microbial issues arising from the leaching of plastic pipes into drinking water, and of conducting a more comprehensive assessment of the associated potential health risks.
pubs.acs.org
realbiomassspec.bsky.social
In Situ Chemical Oxidation of Nonionic Organic Contaminants: The Effect of Soil Organic Matter and Minerals on Stoichiometric Efficiency #EST #MassSpec pubs.acs.org/doi/10.1021/...
In Situ Chemical Oxidation of Nonionic Organic Contaminants: The Effect of Soil Organic Matter and Minerals on Stoichiometric Efficiency
Most dissolved organic contaminants readily react with sulfate radicals (SO4•–) formed when persulfate is activated by thermolysis or base addition during in situ chemical oxidation (ISCO). However, under conditions encountered in the subsurface, hydrophobic contaminants associate with particles. To determine the potential of solids to protect contaminants from oxidation, we measured the stoichiometric efficiency (i.e., moles of contaminant transformed per mole of SO4•–) for a homologous series of chlorinated benzenes using solid-to-water ratios approaching subsurface conditions. Sorption to inorganic surfaces (i.e., sand and clays) reduced the stoichiometric efficiency by 3 orders of magnitude relative to contaminants in solution. At low initial oxidant concentrations (i.e., 10 mM), adsorbed contaminants were oxidized after desorbing to reestablish equilibrium. At higher oxidant concentrations (i.e., 500 mM), contaminant loss was attributable to SO4•– that reacted at the particle surface. Absorption by particulate organic matter (i.e., Pahokee peat) offered greater protection. For the most hydrophobic compounds (i.e., tetra-, penta-, and hexachlorobenzene), 1.5% organic matter by mass reduced the stoichiometric efficiency by an additional order of magnitude. The effect of sorption on the efficacy of persulfate ISCO can be predicted using contaminant hydrophobicity (i.e., the octanol–water partition coefficient, Kow), persulfate dosage, and particulate organic matter content.
pubs.acs.org
realbiomassspec.bsky.social
Integrated Approach for Comprehensive Screening of Indoor Semi-Volatile Organic Compounds via Passive Air Sampling Coupled with Non-targeted Analysis #EST #MassSpec pubs.acs.org/doi/10.1021/...
Integrated Approach for Comprehensive Screening of Indoor Semi-Volatile Organic Compounds via Passive Air Sampling Coupled with Non-targeted Analysis
Indoor semi-volatile organic compounds (SVOCs) pose significant health risks due to their widespread presence. However, their comprehensive profiling remains difficult due to the inherent limitations of conventional active sampling techniques and targeted analytical approaches. Here, we present an integrated approach that combines polydimethylsiloxane (PDMS) foam-based passive air sampling with non-targeted analysis for high-throughput screening and semi-quantitative evaluation of indoor SVOCs. Two passive samplers, specifically optimized for capturing gas-phase and particle-bound SVOCs, were calibrated under real-world indoor conditions. The experimentally derived sampling rates were then used to construct predictive models aimed at extending quantitative applicability across diverse compounds. In addition, a reference-compound-based semi-quantitative strategy was established to support the non-targeted analysis. Field application in a building material market showed strong agreement between passive and active sampling results for both gas-phase and particle-associated SVOCs. Overall, this integrated approach enhances conventional indoor air monitoring by enabling broader chemical coverage and semi-quantitative analysis, offering a practical tool for exposure assessment and risk-informed chemical management.
pubs.acs.org
realbiomassspec.bsky.social
High-Speed Automated Microdroplet Reactions with Ion-Mobility for Rapid Therapeutic Protein Characterization #JASMS pubs.acs.org/doi/10.1021/...
High-Speed Automated Microdroplet Reactions with Ion-Mobility for Rapid Therapeutic Protein Characterization
In the field of protein therapeutic discovery, it is crucial to characterize molecules quickly and precisely, while using minimal sample amounts. Traditional techniques often require significant amounts of samples (10–20 μg) and can introduce post-translational modification (PTM) artifacts that complicate characterization. This study presents an innovative approach using automated microdroplet-based reactions for ultrafast protein digestion and reduction in under one millisecond. The primary aim is to establish a rapid and reliable method for the characterization of protein therapeutics, essential for confirming the identity of protein molecules and assessing potential liabilities early in the discovery process. Furthermore, we have integrated ion mobility separation with microdroplet reactions to better understand the resulting mass species. Our findings demonstrate that this technique enhances the throughput of protein therapeutic characterization without compromising on accuracy. It is effective across a range of therapeutic protein formats including IgG1 antibodies, Fc-cytokine fusion proteins, and antibody-drug conjugates (ADCs). To the best of our knowledge, this is the first report to apply online microdroplet-based reactions across multiple therapeutic modalities while integrating ion mobility separation, establishing a high-throughput workflow for comprehensive protein analysis.
pubs.acs.org
realbiomassspec.bsky.social
Uptake of Artificial Sweeteners in Wheat (Triticum aestivum L.): Subcellular Distribution and Nontarget Identification of New Metabolites #JAFC #MassSpec pubs.acs.org/doi/10.1021/...
Uptake of Artificial Sweeteners in Wheat (Triticum aestivum L.): Subcellular Distribution and Nontarget Identification of New Metabolites
Artificial sweeteners (ASs), which serve as vital alternatives to sucrose, have been detected in agricultural soils and crops. However, knowledge gaps persist regarding their bioaccumulation in plants, which is vital for assessing ecosystem risks. This study examined saccharin (SAC) and acesulfame (ACE) absorption, translocation, and biotransformation in plants via hydroponic experiments. Inhibition studies revealed that root uptake is an active, energy-dependent process involving aquaporins and anion channels. Their hydrophilicity enabled upward movement to above-ground tissues through transpiration and storage in water-soluble cellular components. High-resolution mass spectrometry detected 11 metabolites, proposing potential degradation pathways and identifying, for the first time in plants, phase II metabolites undergoing methylation and glucuronide conjugation. Ecotoxicity predictions indicated that hydroxylated and methylated metabolites were more toxic. This study is the first to explore the mechanisms of AS accumulation and biotransformation in plants, providing deeper insights into their in-plant behavior.
pubs.acs.org
realbiomassspec.bsky.social
Investigating the effects of circadian rhythm on the human skin lipidome #Analyst #MassSpec pubs.rsc.org/en/content/a...
pubs.rsc.org