Characterization of free and bound polymethoxyflavones in the dried peel of Citrus reticulata "Chachi" through fingerprint RDA ions and reversed-phase column retention by UPLC-Q-TOF-MS/MS.

Polymethoxyflavones (PMFs) from citrus peel, including permethoxylated PMFs and hydroxylated PMFs (OH-PMFs), have attracted much attention due to their potential strong biological activities. However, characterization of PMFs through LC-MS analysis was challenged due to numerous substituent positions in flavone. In this study, twelve PMF standards were analyzed by UPLC-QTOF-MS/MS to present fingerprint retro-Diels-Alder (RDA) ions ([B],  A and B(C) associated ions).

Effect of 4-methylbenzoquinone concentration on its covalent conjugates with β-lactoglobulin: Structural and functional properties.

This study examined the effect of quinone concentration on covalent interaction between β-lactoglobulin (β-Lg) and 4-methylbenzoquinone (4MBQ). β-Lg-4MBQ-0.2, β-Lg-4MBQ-0.

The association between anion gap and length of stay in patients undergoing hip fracture surgery: data from the MIMIC-IV database.

Objective: To explore the relationship between anion gap (AG) and length of stay (LOS) in patients undergoing hip fracture surgery.

Methods: Clinical data of patients diagnosed with hip fracture and undergoing surgery were extracted from the Medical Information Mart for Intensive Care IV (MIMIC-IV) database. Logistic regression analysis by adjusting different covariables and threshold effect analysis were used to analyze the relationship between AG and LOS.

In vitro simulated digestion and fermentation characteristics of pectic polysaccharides from fresh passion fruit (Passiflora edulis f. flavicarpa L.) peel.

In this study, two pectic polysaccharides (PFP-T and PFP-UM) were extracted from fresh passion fruit peels using three-phase partitioning (TPP) and sequential ultrasound-microwave-assisted TPP methods, respectively, and their effects on the in vitro gastrointestinal digestion and fecal fermentation characteristics were examined. The results indicate that gastrointestinal digestion has a minimal effect on the physicochemical and structural characteristics of PFP-T and PFP-UM. However, during in vitro fecal fermentation, both undigested PFP-T and PFP-UM are significantly degraded and utilized by intestinal microorganisms, showing increased the total relative abundance of Firmicutes and Bacteroidota in the intestinal flora.

Water-Energy-Carbon Nexus: Greenhouse Gas Emissions from Integrated Urban Drainage Systems in China.

Greenhouse gas (GHG) emissions from integrated urban drainage systems (IUDSs), including sewer, wastewater treatment plants (WWTPs), and receiving water systems, have not yet been integrated due to the lack of modeling tools. Here, we updated the computable general equilibrium-based System Dynamics and Water Environmental Model (CGE-SyDWEM), a recently developed model simulating the water-energy-carbon nexus at the watershed level, to calculate the direct and indirect (electricity use and external) GHG emissions from IUDSs considering carbon mitigation strategies and water engineering practices. The updated CGE-SyDWEM was applied to an estuary watershed in Shenzhen, the fourth largest city in China.

Bifunctional fusion protein targeting both FXIIa and FXIa displays potent anticoagulation effects.

Aims: Anticoagulation in disease treatment has been wildly studied in recent years. The intrinsic coagulation pathway is attracting attention of research community due to its low bleeding risk, and inhibitors against intrinsic coagulation factor XIIa (FXIIa) or XIa (FXIa) have been extensively studied. However, studies to develop anticoagulant inhibitors simultaneous targeting FXIIa and FXIa have not been reported.

Effect of Drying Methods on Volatile Compounds of Citrus reticulata Ponkan and Chachi Peels as Characterized by GC-MS and GC-IMS.

To reflect the volatile differences of dried citrus peel as affected by cultivars and drying methods, the volatile compounds of dried citrus peel of two cultivars ( "Chachi" and "Ponkan"), prepared under three drying methods (sun-drying (SD), hot-air-drying (AD), and freeze-drying (FD)), were analyzed by GC-MS, odor activity values (OAVs), and GC-IMS. GC-MS data indicated that SD was favorable to preserve terpenic alcohols (linalool, α-terpineol and terpinene-4-ol), β-cymene, methyl methanthranilate, and monoterpenes; while AD was favorable to preserve aliphatic aldehydes and sesquiterpenes; and SD was more similar with AD in GC-MS analysis of volatile profile (of higher MW) for both cultivars from the PCA outcome. Furthermore, significant difference in volatile isomeric composition of different samples was also clearly demonstrated through extracted ion chromatogram (EIC) by GC-MS analysis.

Inhibitors of protease-activated receptor 4 (PAR4): a review of recent patents (2013-2021).

Introduction: Protease-activated receptor 4 (PAR4), belonging to a subfamily of G-protein-coupled receptors (GPCR), is expressed on the surface of Human platelets, and the activation of it can lead to platelets aggregation. Studies demonstrated that PAR4 inhibition protect mice from arterial/arteriolar thrombosis, pulmonary embolism and cerebral infarct, while do not affect the hemostatic responses integrity. Therefore, PAR4 has been a promising target for the development of anti-thrombotic agents.

WPK5, a Novel Kunitz-Type Peptide from the Leech Inhibiting Factor XIa, and Its Loop-Replaced Mutant to Improve Potency.

Kunitz-type proteins or peptides have been found in many blood-sucking animals, but the identity of them in leeches remained elusive. In the present study, five Kunitz-type peptides named WPK1-WPK5 were identified from the leech . Recombinant WPK1-WPK5 were expressed in GS115, and their inhibitory activity against Factor XIa (FXIa) was tested.

Study of reactions of Nε-(carboxymethyl) lysine with o-benzoquinones by cyclic voltammetry.

The reaction of Nε-(carboxymethyl) lysine (CML) with eight kinds of non-flavonoid o-benzoquinones and five kinds of flavonoid o-benzoquinones were investigated by cyclic voltammetry at pH 5.0, 7.0 and 8.

Self-Assembled Binuclear Cu(II)-Histidine Complex for Absolute Configuration and Enantiomeric Excess Determination of Naproxen by Tandem Mass Spectrometry.

Naproxen is one of the most consumed nonsteroidal anti-inflammatory drugs and marketed as S-naproxen since R-naproxen is hepatotoxic. In this study, chiral recognition of naproxen has been investigated by tandem mass spectrometry (MS/MS). Among all diastereomeric complexes formed between naproxen and the examined chiral selectors, including cyclodextrins (α/β/γ-CD), modified phenylalanines ( N-acetyl-phenylalanine, N-t-butoxycarbonyl-phenylalanine, N-9-fluorenylmethyloxycarbonyl-phenylalanine), amino acids (Trp, Phe, Tyr, His), glucose, tartaric acid, and vancomycin, a novel binuclear metal bound diastereomeric complexes [(M(II))( S/ R-naproxen)(l-His)-3H] (M = Cu, Ni, or Co with Cu being the best) could allow effective identification of the absolute configuration of naproxen and determination of its enantiomeric excess ( ee) through MS/MS analysis.

Chiral differentiation of amino acids through binuclear copper bound tetramers by ion mobility mass spectrometry.

In this study, travelling wave ion mobility mass spectrometry has been used to investigate chiral differentiation of common chiral amino acids, through separation of binuclear copper bound tetrameric ions formed with chiral selector tryptophan, proline, tyrosine, phenylalanine or histidine. Significant chiral recognition was observed for amino acids with aromatic rings or long and active side chains, with peak-to-peak resolutions up to 1.826.

Chiral recognition and determination of enantiomeric excess by mass spectrometry: A review.

Chiral analysis is of great importance to fundamental and applied research in chemical, biological and pharmaceutical sciences. Due to the superiority of mass spectrometry (MS) over other analytical methods in terms of speed, specificity and sensitivity, chiral analysis by MS has attracted much interest in recent years. Chiral analysis by MS typically involves introduction of a chiral selector to form diastereomers with analyte enantiomers, and comparison of the behaviors of diastereomers in MS.

A Caco-2 cell-based quantitative antioxidant activity assay for antioxidants.

A Caco-2 cell-based antioxidant activity (CAA) assay for quantitative evaluation of antioxidants was developed by optimizing seeding density and culture time of Caco-2 cells, incubation time and concentration of fluorescent probe (2',7'-dichlorofluorescin diacetate, DCFH-DA), incubation way and incubation time of antioxidants (pure phytochemicals) and DCFH-DA with cells, and detection time of fluorescence. Results showed that the CAA assay was of good reproducibility and could be used to evaluate the antioxidant activity of antioxidants at the following conditions: seeding density of 5 × 10(4)/well, cell culture time of 24h, co-incubation of 60 μM DCFH-DA and pure phytochemicals with Caco-2 cells for 20 min and fluorescence recorded for 90 min. Additionally, a significant correlation was observed between CAA values and rat plasma ORAC values following the intake of antioxidants for selected pure phytochemicals (R(2) = 0.

Spatial variations of storm runoff pollution and their correlation with land-use in a rapidly urbanizing catchment in China.

The composition of land use for a rapidly urbanizing catchment is usually heterogeneous, and this may result in significant spatial variations of storm runoff pollution and increase the difficulties of water quality management. The Shiyan Reservoir catchment, a typical rapidly urbanizing area in China, is chosen as a study area, and temporary monitoring sites were set at the downstream of its 6 sub-catchments to synchronously measure rainfall, runoff and water quality during 4 storm events in 2007 and 2009. Due to relatively low frequency monitoring, the IHACRES and exponential pollutant wash-off simulation models are used to interpolate the measured data to compensate for data insufficiency.