Fatty Acid Metabolic Impairment in Soil Microbes Induced by PFAS: Dependence on the Fluorocarbon Chain Length, Headgroups, and Ether Attached.

Per- and polyfluoroalkyl substances (PFASs) with varying chain lengths, headgroups, and alternative structures are widespread and persistent in soil, yet knowledge of their biological effects and toxic mechanisms on soil microorganisms is limited. This study identified the structure-dependent impacts of PFAS on microbial fatty acid (FA) profiles by integrated field-laboratory investigations. The field investigation uncovered distinct PFAS-FA interaction patterns, varying by PFAS fluorocarbon (FC) chain length and functional group, and FA hydrocarbon (HC) chain length and unsaturation degree.

Quantitative profiling and mapping of small molecules by laser desorption/ionization mass spectrometry: combinations of carbon-based nano-matrices and sample preparation protocols.

The choices of matrices and protocols for sample deposition are critical factors, which impact each other in the matrix-assisted laser desorption/ionization (MALDI) mass spectrometry imaging (MSI). Previous reports on MALDI MS matrices have only compared their performances in terms of their MS signal intensities and provided optical microphotos or MALDI MS images of sample spots but typically lacked quantitative evaluation. Therefore, there is an urgent need to develop a multivariate model to evaluate the performance of different combinations of matrices and sample protocols.

Data-independent acquisition in metaproteomics.

Introduction: Metaproteomics offers insights into the function of complex microbial communities, while it is also capable of revealing microbe-microbe and host-microbe interactions. Data-independent acquisition (DIA) mass spectrometry is an emerging technology, which holds great potential to achieve deep and accurate metaproteomics with higher reproducibility yet still facing a series of challenges due to the inherent complexity of metaproteomics and DIA data.

Areas Covered: This review offers an overview of the DIA metaproteomics approaches, covering aspects such as database construction, search strategy, and data analysis tools.

[Microbial metaproteomics--From sample processing to data acquisition and analysis].

Microorganisms are closely associated with human diseases and health. Understanding the composition and function of microbial communities requires extensive research. Metaproteomics has recently become an important method for throughout and in-depth study of microorganisms.

Nontarget Discovery of Per- and Polyfluoroalkyl Sulfonyl Halides in Soils by Integration of Derivatization and Specific Fragment-Based Liquid Chromatography-High Resolution Mass Spectrometry Screening.

Though long recognized as synthetic precursors to other poly- and perfluoroalkyl substances (PFASs), most poly- and perfluoroalkyl sulfonyl halides (PASXs) cannot be directly measured and have generally received minimal attention. Inspired by the redox reaction between sulfonyl halide groups and -toluenethiol in organic chemistry, we developed a novel nontarget analysis strategy for PASXs by intergrating derivatization and specific fragment-based liquid chromatography-high resolution mass spectrometry screening for / 82.961 [SOF] and / 95.

Natural Disinfection-like Process Unveiled in Soil Microenvironments by Enzyme-Catalyzed Chlorination.

Substantial natural chlorination processes are a growing concern in diverse terrestrial ecosystems, occurring through abiotic redox reactions or biological enzymatic reactions. Among these, exoenzymatically mediated chlorination is suggested to be an important pathway for producing organochlorines and converting chloride ions (Cl) to reactive chlorine species (RCS) in the presence of reactive oxygen species like hydrogen peroxide (HO). However, the role of natural enzymatic chlorination in antibacterial activity occurring in soil microenvironments remains unexplored.

High-Abundance Protein-Guided Hybrid Spectral Library for Data-Independent Acquisition Metaproteomics.

Metaproteomics offers a direct avenue to identify microbial proteins in microbiota, enabling the compositional and functional characterization of microbiota. Due to the complexity and heterogeneity of microbial communities, in-depth and accurate metaproteomics faces tremendous limitations. One challenge in metaproteomics is the construction of a suitable protein sequence database to interpret the highly complex metaproteomic data, especially in the absence of metagenomic sequencing data.

Metabolic and Microbial Profiling of Soil Microbial Community under Per- and Polyfluoroalkyl Substance (PFAS) Stress.

Per- and polyfluoroalkyl substances (PFAS) represent significant stress to organisms and are known to disrupt microbial community structure and function. Nevertheless, a detailed knowledge of the soil microbial community responding to PFAS stress at the metabolism level is required. Here we integrated UPLC-HRMS-based metabolomics data with 16S rRNA and ITS amplicon data across soil samples collected adjacent to a fluoropolymer production facility to directly identify the biochemical intermediates in microbial metabolic pathways and the interactions with microbial community structure under PFAS stress.

Advection-Dispersion Behavior for Simulation of H-3 and Pu-238 Transport in Undisturbed Argillaceous Shale of a Near-Surface Repository.

In this study, a column experiment was employed to evaluate the nuclide migration behavior in the surrounding rock medium of a near-surface disposal site in China and to investigate the advection-dispersion behavior of tritium (H-3) and plutonium-238 (Pu-238) in highly weathered argillaceous shale. A reasonable numerical model was selected to fit the experimental breakthrough curves (BTCs) and to obtain the relevant migration parameters. The results show the following: (1) the internal structure of the highly weathered argillaceous shale exhibited heterogeneity, and the nuclide migration BTC showed characteristics of a "curve peak moving forward" and a "tail curve trailing"; (2) compared with other models, the stream tube mode could better fit the BTCs and obtain the average dispersion coefficient <>, average distribution coefficient <>, and other parameters; (3) compared to the results of the batch experiment, the distribution coefficient obtained from the column experiment was smaller than that obtained from the batch experiment, which is speculated to be due to the influence of contact time and the contact area between the nuclide and the medium.

Probing Molecular-Level Dynamic Interactions of Dissolved Organic Matter with Iron Oxyhydroxide via a Coupled Microfluidic Reactor and an Online High-Resolution Mass Spectrometry System.

The interactions between dissolved organic matter (DOM) and iron (Fe) oxyhydroxide are crucial in regulating the biogeochemical cycling of nutrients and elements, including the preservation of carbon in soils. The mechanisms of DOM molecular assembly on mineral surfaces have been extensively studied at the mesoscale with equilibrium experiments, yet the molecular-level evolution of the DOM-mineral interface under dynamic interaction conditions is not fully understood. Here, we designed a microfluidic reactor coupled with an online solid phase extraction (SPE)-LC-QTOF MS system to continually monitor the changes in DOM composition during flowing contact with Fe oxyhydroxide at circumneutral pH, which simulates soil minerals interacting with constant DOM input.

Data-independent acquisition boosts quantitative metaproteomics for deep characterization of gut microbiota.

Metaproteomics can provide valuable insights into the functions of human gut microbiota (GM), but is challenging due to the extreme complexity and heterogeneity of GM. Data-independent acquisition (DIA) mass spectrometry (MS) has been an emerging quantitative technique in conventional proteomics, but is still at the early stage of development in the field of metaproteomics. Herein, we applied library-free DIA (directDIA)-based metaproteomics and compared the directDIA with other MS-based quantification techniques for metaproteomics on simulated microbial communities and feces samples spiked with bacteria with known ratios, demonstrating the superior performance of directDIA by a comprehensive consideration of proteome coverage in identification as well as accuracy and precision in quantification.

UPLC-Q-TOF/MS-Based Metabolomics Approach Reveals Osthole Intervention in Breast Cancer 4T1 Cells.

Osthole (OST) is a simple coumarin derivative with pharmacological effects in many types of cancer cells. However, its role and its mechanism of action in breast cancer 4T1 cells remain unclear. In this study, we explored the effects and potential mechanisms of action of OST in 4T1 cells.

Effects of Lycium Barbarum Polysaccharides on the Metabolism of Dendritic Cells: An Study.

Targeting dendritic cells (DCs) metabolism-related pathways and in-situ activation of DCs have become a new trend in DC-based immunotherapy. Studies have shown that polysaccharide can promote DCs function. This study is aimed at exploring the mechanism of LBP affecting DCs function from the perspective of metabolomics.

Comparative pharmacokinetic study of nine bioactive components in osteoarthritis rat plasma using ultra-performance liquid chromatography-tandem mass spectrometry after single and combined oral administration of Epimedii Folium and Chuanxiong Rhizoma extracts.

The herb pair Epimedii Folium-Chuanxiong Rhizoma (EF-CR), derived from the classical traditional Chinese medicine 'Xian Ling Pi San', has a distinctive compatibility therapeutic profile and is clinically safe and effective. This study aimed to investigate and compare the pharmacokinetic characteristics of nine analytes in osteoarthritis (OA) rat plasma after the oral administration of EF, CR or a combination of these two herbs. We developed an ultra-performance liquid chromatography method coupled with quadrupole linear ion-trap mass spectrometry to simultaneously quantify and assess the pharmacokinetics of icariin, epimedin A, epimedin B, epimedin C, icariside I, icariside II, ferulic acid, ligustilide and senkyunolide A of the EF-CR pair in the plasma of osteoarthritic rats.

N-doped CoAl oxides from hydrotalcites with enhanced oxygen vacancies for excellent low-temperature propane oxidation.

A series of nitrogen-doped CoAlO (N-CoAlO) were constructed by a hydrothermal route combined with a controllable NH treatment strategy. The effects of NH treatment on the physico-chemical properties and oxidation activities of N-CoAlO catalysts were investigated. In comparison to CoAlO, a smallest content decrease in surface Co (serving as active sites) while a largest increased amount of surface Co (contributing to oxygen species) are obtained over N-CoAlO/4h among the N-CoAlO catalysts.

An Improved Speciation Method Combining IC with ICPOES and Its Application to Iodide and Iodate Diffusion Behavior in Compacted Bentonite Clay.

An accurate and effective method combining ion chromatography (IC) and inductively coupled plasma optical emission spectrometry (ICP-OES) was applied in this work to qualitatively and quantitatively analyze individual and co-existing iodide (I) and iodate (IO) at various concentrations. More specifically, a very strong linear relationship for the peak area for the co-existing I and IO ions was reached, and a high resolution value between two peaks was observed, which proves the effectiveness of our combined IC-ICP-OES method at analyzing iodine species. We observed lower accessible porosity for the diffusion of both I and IO in samples of bentonite clay using IC-ICP-OES detection methods, where the effective diffusion coefficient varied based on the anion exclusion effect and the size of the diffusing molecules.

Titanium-Enriched Slag Prepared by Atmospheric Hydrochloric Acid Leaching of Mechanically Activated Vanadium Titanomagnetite Concentrates.

The titanium-enriched slag was obtained via atmospheric hydrochloric acid leaching of mechanically activated vanadium titanomagnetite concentrates (VTMCs). Under the influence of mechanical activation, specific physicochemical changes were observed via X-ray diffractometry, scanning electron microscopy, and granulometric laser diffraction analysis. Experimental findings revealed that the mechanical activation of VTMCs resulted in a decrease in the median volume particle diameter (d50) and an increase in the specific surface area (SA) with an increased milling time.

Assessment of bacterial viability by laser desorption ionization mass spectrometry for antimicrobial susceptibility testing.

Bacterial infection poses a serious threat to human health worldwide. Rapid antimicrobial susceptibility testing (AST) is essential for the clinical treatment of bacterial infection patients. However, the traditional AST relies on bacteria culture, which is time-consuming and limits the analysis to culturable species.

Amorphous Boron Dispersed in LaCoO with Large Oxygen Vacancies for Efficient Catalytic Propane Oxidation.

Unsatisfactory oxygen mobility is a considerable barrier to the development of perovskites for low-temperature volatile organic compounds (VOCs) oxidation. This work introduced small amounts of dispersed non-metal boron into the LaCoO crystal through an easy sol-gel method to create more oxygen defects, which are conducive to the catalytic performance of propane (C H ) oxidation. It reveals that moderate addition of boron successfully induces a high distortion of the LaCoO crystal, decreases the perovskite particle size, and produces a large proportion of bulk Co species corresponding to abundant oxygen vacancies.

N-doped mixed Co, Ni-oxides with petal structure as effective catalysts for hydrogen and oxygen evolution by water splitting.

Developing electrocatalytic nanomaterials for green H energy is inseparable from the exploration of novel materials and internal mechanisms for catalytic enhancement. In this work, nano-petal N-doped bi-metal (Ni, Co) and bi-valence (+2, +3) (Ni Co )Co O compounds have been grown on the surface of Ni foam. The N atoms originate from the amino group in urea and doped in the compound during annealing.

A facile method for the preparation of black TiO by Al reduction of TiO and their visible light photocatalytic activity.

Black TiO has attracted widespread attention due to its visible light absorption and wide range of applications. However, the currently reported preparation methods for black TiO are not suitable for large-scale production due to its being prepared under high vacuum and over a long time. We have successfully prepared black TiO under normal pressure and short time conditions.

Spatial-temporal profiling of antibiotic metabolites using graphite dots-assisted laser desorption ionization mass spectrometry.

Appropriate prescription of antibiotics requires the pharmacokinetic knowledge of the drugs and their metabolites in blood, and their distribution/retention in organ tissues. Here we report that highly crystalline graphite dots (GDs) allow for quantitative profiling of antibiotic metabolites in a spatial-temporal manner, in combination with matrix-assisted laser desorption ionization mass spectrometry imaging (MALDI MSI). GDs matrix features an ultra-clean background base line and high efficiency in ionization of small molecules, thus enabling quantification of sulfamethoxazole (SMZ) and its metabolites with limit of detection (LOD) in the femtomole range.