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Alismatis Rhizoma (AR) is a crucial substance for discovering new triterpenoids to address hyperlipidemia and obesity. Currently, approximately 120 triterpenoids have been identified in AR, making the discovery of new triterpenoids increasingly challenging. Thus, based on the advantages of HPLC-HRMS, it was utilized to identify both reported and new triterpenoids, and then in-silico analysis was employed to predict the functions of these new triterpenoids. Twenty reported triterpenoids and four new triterpenoids (25-methoxy-16-oxo-11-anhydroalisol A, 25-methoxy-16-oxo-alisol A, 25-methoxy-16-oxo-alisol A 23-acetate, and 25-methoxy-16-oxo-alisol A 24-acetate) from AR were identified using HPLC-HRMS, and then KEGG analysis suggested four new triterpenoids might be activated the PPAR signaling pathway to relieve hyperlipemia. The results of PPI and molecular docking indicated PPARA might be the key targets for anti-hyperlipidemia of four new triterpenoids, of which 25-methoxy-16-oxo-11-anhydroalisol A has better binding activity with PPARA. Additionally, 25-methoxy-16-oxo-11-anhydroalisol A has more potential as a candidate drug because of its better absorption, distribution, metabolism, excretion, and lower toxicity. Hence, our findings proved there are new triterpenoids with anti-hyperlipidemia medicinal potential in AR, thereby guiding the direction of future works and reducing the consumption of time and financial resources. [ABSTRACT FROM AUTHOR]

The presence of contaminants of emerging concern in the aquatic environment directly impacts water-living organisms and can alter their living functions. These compounds are often metabolized and excreted, but they can also be accumulated and spread through the food chain. The metabolized contaminants can also lead to the formation of new compounds with unknown toxicity and bioaccumulation potential. In this work, we have studied the occurrence, bioconcentration, and biotransformation of CECs in glass eels (Anguilla anguilla) using UHPLC-HRMS. To select the target CECs, we first carried out an environmental risk assessment of the WWTP effluent that releases directly into the Adour estuary (Bayonne, Basque Country, France). The risk quotients of every detected contaminant were calculated and three ecotoxicologically relevant contaminants were chosen to perform the exposure experiment: propranolol, diazepam, and irbesartan. An experiment of 14 days consisting of 7 days of exposure and 7 days of depuration was carried out to measure the bioconcentration of the chosen compounds. The quantitative results of the concentrations in glass eel showed that diazepam and irbesartan reached BCF ≈10 on day 7, but both compounds were eliminated after 7 days of depuration. On the other hand, propranolol's concentration remains constant all along with the experiment, and its presence can be detected even in the non-exposed control group, which might suggest environmental contamination. Two additional suspect screening strategies were used to identify metabolization products of the target compounds and other xenobiotics already present in wild glass eels. Only one metabolite was identified, nordiazepam, a well-known diazepam metabolite, probably due to the low metabolic rate of glass eels at this stage. The xenobiotic screening confirmed the presence of more xenobiotics in wild glass eels, prominent among them, the pharmaceuticals exemestane, primidone, iloprost, and norethandrolone. [Display omitted] • Nine contaminants with risk potential were found in Bayonne's WWTP effluent. • Diazepam and irbesartan were bioconcentrated up to 10 times in glass eels. • One metabolite was found in glass eels for the selected contaminants, nordiazepam. • Thirteen more CECs was also detected by suspect screening in unexposed glass eels. [ABSTRACT FROM AUTHOR]

Abstract: Vibrio anguillarum produces several interlinked acylated homoserine lactone (AHL) signal molecules which may influence expression of its virulence factors such as exoprotease production and biofilm formation. Using both thin layer chromatography and HPLC-high resolution mass spectrometry (HPLC-HRMS), we demonstrate in this study that the same types of AHLs are produced by many serotypes of V. anguillarum and that altering in vitro growth conditions (salinity, temperature and iron concentration) has little influence on the AHL-profile. Most strains produced N-(3-oxodecanoyl)-l-homoserine lactone (3-oxo-C10-HSL) and N-(3-hydroxy-hexanoyl)-l-homoserine lactone (3-hydroxy-C6-HSL) as the dominant molecules. Also, two spots with AHL activity appeared on TLC plates, which could not be identified as AHL structures. Trace amounts of N-(3-hydroxy-octanoyl)-l-homoserine lactone, N-(3-hydroxy-decanoyl)-l-homoserine lactone and N-(3-hydroxy-dodecanoyl)-l-homoserine lactone (3-hydroxy-C8-HSL, 3-hydroxy-C10-HSL and 3-oxo-C12-HSL, respectively) were also detected by HPLC-HRMS analysis from in vitro cultures. Most studies of quorum sensing (QS) systems have been conducted in vitro, the purpose of our study was to determine if the same acylated homoserine lactones were produced in vivo during infection. Extracts from infected fish were purified using several solid phase extraction strategies to allow chromatographic detection and separation by both TLC and HLPC-HRMS. 3-oxo-C10-HSL and 3-hydroxy-C6-HSL were detected in organs from fish dying from vibriosis, however, compared to in vitro culturing where 3-oxo-C10-HSL is the dominant molecule, 3-hydroxy-C6-HSL was prominent in the infected fish tissues. Hence, the balance between the QS systems may be different during infection compared to in vitro cultures. For future studies of QS systems and the possible specific interference with expression of virulence factors, in vitro cultures should be optimised to reflect the in vivo situation. [Copyright &y& Elsevier]