To elucidate flavor differences between Ross 308 and indigenous Langshan chickens, a comprehensive analysis was conducted using gas chromatography-ion…

Human breast milk is a complex biological matrix that plays a central role in infant nutrition and development. It may also serve as a route of exposu…

Drug counterfeiting is a global public health challenge affecting both developed and developing countries. This study reports the first comprehensive …

Although irradiation technology is increasingly adopted for meat preservation, its molecular-level effects on beef flavor remain insufficiently charac…

The study fingerprints the heat-induced metabolic changes in milk across 15 temperature-time treatments (63–136 °C) using an untargeted metabolomics a…

LC-MS/MS is widely used for the quantification of phosphorodiamidate morpholino oligomers, but its low sensitivity is a problem. In addition, solid-phase extraction, a pretreatment method generally...

The fecal immunochemical test (FIT) for detecting fecal occult blood, used alone or in combination with other stool biomarkers, has been demonstrated to be effective in the context of colorectal cance...

Glycosaminoglycans (GAGs) are linear, negatively charged polysaccharides composed of repeating disaccharide units. Heparan sulfate (HS) and chondroitin sulfate (CS) are highly sulfated GAG classes, ub...

This study utilized orthogonal design with blood–brain dual-channel microdialysis-LC–MS/MS to elucidate and optimize the pharmacokinetics and pharmacodynamics of Astragali Radix-Safflower main effect...

MS-based proteomics offers powerful opportunities for biomarker discovery; nevertheless, it is associated with technical challenges, including missing values and batch effects. Although imputation a...

4-Benzoyl-N,N-diethyl-7-methyl-4,6,6a,7,8,9-hexahydroindolo[4,3-fg]quinoline-9-carboxamide (1Bz-LSD) and N,N-diethy-7-methyl-4-(4-(trimethylsilyl)benzoyl)-4,6,6a,7,8,9-hexahydroindolo[4,3-fg]quinolin...

The present study builds on a unique collection of more than 68,000 hair EtG results collected in the Northen Italy between 2013 and 2022. We investigated trends in alcohol consumption in terms of ag...

This study investigated the chemical profile and therapeutic mechanisms of the Yishen Ningxin Formula (YSNXF) in treating hypertension comorbid with insomnia through an integrated approach involving ...

The aroma characteristics of Jiangxiang-type baijiu are primarily formed during the third to fifth production rounds. Given the complexity of its aroma compounds, quality assessment currently depends ...

Glycoproteomics presents a challenge for analysis by conventional proteomics methods due to the size, complexity, and heterogeneity of glycans. Many published methods use higher-energy collisional dis...

An analytical method for the simultaneous determination of three gut microbiome metabolites related to the gut-brain axis (trimethylamine N-oxide (TMAO), phenylacetylglutamine (PAG), and 4-ethylphenyl...

Studies of 6PPD-quinone (6PPDQ) toxicity have identified both sensitive and resistant salmonid species at environmentally relevant concentrations. However, comparisons between species are complicated by varying testing conditions, which can limit the application to derivation of environmental quality guidelines. Furthermore, few studies have reported 6PPDQ tissue concentrations in fish with known exposure concentrations. Using standard methods with flow-through exposures to provide stable 6PPDQ concentrations, we compared time courses of mortality in three sensitive salmonid species (coho salmon Oncorhynchus kisutch, brook trout Salvelinus fontinalis, rainbow trout Oncorhynchus mykiss), evaluated the potential for latent (delayed) mortality, and measured tissue concentrations in both fish that died during exposure and those that survived an additional 7 days in clean water. Further experiments documented insensitivity in two centrarchids (smallmouth bass Micropterus dolomieu and largemouth bass Micropterus nigricans). Our study provided evidence for two mortality time courses: one in which nearly all mortality occurs in the first 24 h and one in which mortalities continue to accumulate throughout the exposure, and 96-h and 24-h LC50s are quite different. We did not observe evidence for the delayed onset of mortality due to 6PPDQ exposure. Most fish that survived exposure had undetectable 6PPDQ concentrations after 1 week in clean water, potentially informing biomonitoring strategies for wild populations.

Tandem mass spectrometry (MS/MS) has become the analytical backbone of large-scale untargeted metabolomics, routinely generating millions of spectra per study. However, existing clustering methods struggle to process this scale due to computational and memory bottlenecks, limiting the utility of clustering in downstream analysis. This bottleneck is especially acute in long-term studies and public repositories, where new data are continuously added over time. Here we present a scalable clustering framework for MS/MS metabolomics data. Our method incrementally incorporates new spectra batches while preserving clustering performance through a novel spectrum pooling strategy, which propagates local density structure across batches. Using both database-search–based evaluation on proteomics data sets and the MS1-retention time (MS-RT) method on metabolomics data sets, we show that incremental clustering achieves comparable performance to the state-of-the-art clustering methods in terms of cluster purity and completeness. Critically, our approach scales up to clustering tasks consisting of 368 million spectra clustering task and millions of clusters, completing in under 10,000 CPU hours, while traditional methods could not scale to this data volume and failed to complete due to excessive memory or time requirements. Our method offers a practical solution for large-scale, continuously growing MS/MS studies and is well suited for integration into public metabolomics platforms such as GNPS2.

Lipid A, the endotoxic component of Gram-negative bacterial lipopolysaccharide (LPS), consists of a phosphorylated glucosamine disaccharide backbone with variable fatty acyl chains. It is central to b...

Persistent, mobile, and toxic (PMT) substances have gained increasing scientific and regulatory attention due to their capacity to bypass natural and artificial barriers and spread throughout the water cycle. However, knowledge of their environmental occurrence remains limited due to analytical challenges, particularly in detecting highly polar substances that are often overlooked in monitoring studies. This study aims to identify PMT substances that are worth monitoring in surface waters strongly influenced by wastewater treatment plant effluents. A suspect screening analysis (SSA) approach based on the use of LC-HRMS was integrated with a tiered prioritization strategy. Our workflow integrates multimodal SPE and LC approaches to improve PMT detection coverage across polarity gradients. A total of 305 substances were tentatively identified, and 103 of them were prioritized as PMT substances, encompassing industrial chemicals, personal care products, pharmaceuticals, illicit drugs, pesticides, and transformation products. Notably, only 13% of PMT substances are currently included in the European Water Framework Directive legislation or the REACH list of substances of very high concern. Among them, 35 high-priority PMT substances were confirmed with analytical standards through mass spectrometry (MS/MS) in tandem with HRMS, providing reliable fragmentation data. Some of these substances such as the pharmaceutical celecoxib, the ultrashort-chain per- and polyfluoroalkyl substance (PFAS) bis(trifluoromethylsulfonyl)imide, or the industrial chemical 1,3-di-o-tolylguanidine (DTG) have been scarcely investigated in environmental monitoring efforts. The methodological framework presented in this study is readily adaptable to a wide range of environmental scenarios. The results obtained highlight the importance of integrating SSA as a complementary approach to conventional target analysis.

Cancer; Proteomics

Health technology; Medical specialty; Medical tests; Procedure; Process

Objective Retinoic acid (RA), an active metabolite of vitamin A, may regulate adipogenesis and is associated with osteoporosis. To clarify the regulatory mechanism of RA in adipogenesis and its relati...

Objectives This study presents a candidate reference measurement procedure (RMP) for testosterone quantification in human serum and plasma, utilizing isotope dilution-liquid chromatography-tandem mass...

Recent advances in understanding the roles of d-amino acids (d-AAs) in nervous and endocrine systems have highlighted their emerging significance in cell-to-cell signaling, particularly in diabetes, where d-AAs are localized in specific islet cell types. In type 1 diabetes (T1D), the autoimmune-mediated destruction of β-cells and the consequent reduction of insulin production impact the disease onset and progression. The presence of d-AAs in T1D serum allows us to understand if they are misregulated in T1D. Correlations between serum d-AAs, glycated hemoglobin (HbA1c), C-peptide levels, and disease duration in T1D patients are investigated. d/l-alanine, -proline, -aspartate, -serine, and -glutamate are quantified using chiral liquid chromatography-tandem mass spectrometry with a multiple-reaction-monitoring approach (LC-MRM-MS/MS). Additionally, d-cysteine levels are determined through a luciferase assay and confirmed via d-amino acid oxidase enzyme degradation. Positive correlations between d-glutamate and d-aspartate levels and C-peptide levels are observed. Obtained results demonstrate positive correlations between d-alanine, d-proline, and d-cysteine levels and disease duration, and a negative correlation with d-aspartate and d-glutamate. These findings suggest the involvement of a range of d-AAs and that serum d-AA levels may be indicators of T1D progression.