The effective preservation of cashew germplasm faces significant challenges due to the loss of germination vigor over medium and long periods. Therefo…

Nirmatrelvir/ritonavir association has been authorized for conditional use in the treatment of COVID-19, especially in solid-organ transplant recipients who did not respond to vaccine and are still at...

Myalgic Encephalomyelitis/Chronic Fatigue Syndrome (ME/CFS) is an unexplained chronic, debilitating illness characterized by fatigue, sleep disturbances, cognitive dysfunction, orthostatic intolerance and gastrointestinal problems. Using ultra performance liquid chromatography-tandem mass spectrometry (UPLC-MS/MS), we analyzed the plasma proteomes of 39 ME/CFS patients and 41 healthy controls. Logistic regression models, with both linear and quadratic terms of the protein levels as independent variables, revealed a significant association between ME/CFS and the immunoglobulin heavy variable (IGHV) region 3-23/30. Stratifying the ME/CFS group based on self-reported irritable bowel syndrome (sr-IBS) status revealed a significant quadratic effect of immunoglobulin lambda constant region 7 on its association with ME/CFS with sr-IBS whilst IGHV3-23/30 and immunoglobulin kappa variable region 3–11 were significantly associated with ME/CFS without sr-IBS. In addition, we were able to predict ME/CFS status with a high degree of accuracy (AUC = 0.774–0.838) using a panel of proteins selected by 3 different machine learning algorithms: Lasso, Random Forests, and XGBoost. These algorithms also identified proteomic profiles that predicted the status of ME/CFS patients with sr-IBS (AUC = 0.806–0.846) and ME/CFS without sr-IBS (AUC = 0.754–0.780). Our findings are consistent with a significant association of ME/CFS with immune dysregulation and highlight the potential use of the plasma proteome as a source of biomarkers for disease.

The study introduces a robust analytical method based on UPLC-MS/MS for quantifying thiol amino acids, including cysteine (Cys), cysteinylglycine (CG)…

Isolation of the effective anti-inflammatory fraction of Salvia rosmarinus (rosemary) was guided by its anti-inflammatory activity in lipopolysaccharide-stimulated RAW264.7 cells, as an in vitro inflammation model, and its chemical components were systematically characterized by UPLC-Orbitrap MS/MS coupled with GNPS. Eighty-three triterpenoids were identified, among which 51 were separated and elucidated, including 10 new compounds and six triterpenoids that exhibited significant anti-inflammatory activity. The mass spectrometry fragmentation pathways of the five types of compounds were analyzed and their anti-inflammatory structure–activity relationship of the separated compounds was explored. The results indicate that the anti-inflammatory activity of rosemary is not mainly exerted by a few main components, such as ursolic acid and oleanolic acid, as previously reported, but is the result of the synergistic effect of many triterpenoids. The findings of the study provide a scientific basis for the development of rosemary anti-inflammatory functional foods.

Matrix adsorbents play a crucial role in the rapid multiresidue detection of pesticides by LC–MS/MS. Herein, we report the development of three functi…

In order to overcome the challenge of determining water-soluble moroxydine hydrochloride (MH) from 22 plant-based food matrices with different propert…

Background: Diabetic Kidney Disease (DKD) is a major cause of End-Stage Renal Disease (ESRD) and lacks effective treatments. Tangmaikang Granules (TMK), a multi-herb traditional Chinese medicine formu...

UConn is committed to fostering a multicultural and inclusive workplace that recognizes and embraces the unique talents and contributions of our diverse wor ...

American ginseng(Panax quinquefolius L.), a traditional herbal extensively utilised in China, exhibits both medicinal and food properties. Diverse processing American ginseng gain extensive utilisa...

This study centered on creating and validating a UPLC–MS/MS assay that is both reliable and simple, making it suitable for measuring peiminine levels in the plasma of beagle dogs. The established met...

Pangolin scales (PS) are derived from various pangolin species and are commonly subjected to thermal processing. Identifying their species of origin u…

To investigate the material basis for the increased efficacy of Anemarrhenae Rhizoma (AR) after salt processing, this study employed UPLC-Q-TOF-MS/MS technology to analyze metabolites in both AR and ...

Brominated disinfection byproducts (Br-DBPs) generated during water treatment pose significant health risks due to their high toxicity. This study conducted a comparative nontargeted analysis of Br-DBPs generated during chlorination and chloramination using ultra-performance liquid chromatography (UPLC) coupled with high-resolution (HR) mass spectrometry (MS), including MS and tandem MS experiments. An advanced halogen extraction code identified halogenated compounds via isotopic patterns of chlorine (Cl) and bromine (Br), with MFAssignR assigning molecular formulas. Chlorination resulted in a total of 154 Br-DBPs, most containing carbon, hydrogen, oxygen, and bromine (CHOBr), whereas chloramination generated 79 Br-DBPs, predominantly nitrogenous Br-DBPs (CHONBr), including 57 CHOBr and 22 CHONBr, effectively preserving aromatic structures within natural organic matter (NOM). Several Br-DBPs with strong instrument responses, including brominated aliphatic carboxylic acids and aromatic phenolic acids formed primarily during chlorination, were identified, whereas nitrogenous Br-DBPs were exclusive to chloramination. In silico toxicity assessments indicate that many Br-DBPs identified in this study, particularly those with multiple bromine substitutions and functional groups such as nitro and carboxylic acids in aromatic structures, exhibit substantially higher acute toxicity and mutagenic potential compared to regulated DBPs like bromoform and dibromacetic acid. These findings highlight the need to prioritize polybrominated, aromatic, and nitrogenous Br-DBPs in water treatment research and regulation.

Monodisperse polyethylene glycol (PEG) derivatives offer significant advantages over conventional polydisperse PEGs for biomedical applications due to their precisely defined molecular structures. This study establishes an eco-efficient, selective, and sensitive analytical assay integrating microscale solid-phase extraction (μ-SPE) with ultra-performance liquid chromatography tandem mass spectrometry (UPLC-MS/MS) to investigate the cellular uptake of HO-PEG8-OH polymers in MCF-7 cells. The method achieved greater than 91% recovery from 20 μL lysates using M-PEG6-OH as the internal standard, with validated linearity (10–1000 ng/mL, R > 0.997), accuracy (relative error 

Scientific Reports - UPLC-qTOF-MS/MS profiling of phenolic compounds in Fagonia arabica L. and evaluation of their cholinesterase inhibition potential through in-vitro and in-silico approaches

AbstractBackground. A multi-analyte method was developed for determination and confirmation of 26 natural and synthetic psychedelic and psychoactive compou