JOURNAL OF CHROMATOGRAPHY B-ANALYTICAL TECHNOLOGIES IN THE BIOMEDICAL AND LIFE SCIENCES
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2024
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IF 2.8
Fei Yang,Yi-Yi Cao,Jing Xi,Yang Luan,Na Li,Xin Dong,Xin-Yu Zhang
1,3-Butadiene (BD) is a carcinogenic air pollutant. N -acetyl- S -(4-hydroxy-2-buten-1-yl)-L-cysteine (MHBMA3 or 4HBeMA), an urinary BD metabolite with unspecified configuration, is considered the most sensitive BD biomarker and has been used in routine biomonitoring since 2012. However, two issues remain unaddressed: why its concentrations are unusually high relative to other urinary BD biomarkers and why some authors reported no detection of the biomarker whereas other authors readily quantitated it. To address the issues, we synthesized and structurally characterized the authentic trans - and cis -isomers of MHBMA3 (designated NE and NZ, respectively), developed an isotope-dilution LC-MS/MS method for their quantification, and examined 67 urine samples from barbecue restaurant personnel (n = 47) and hotel administrative staff (n = 20). The restaurant personnel were exposed to barbecue fumes, which contain relatively high concentrations of BD. The results showed that NE and NZ had highly similar NMR spectra, and were difficult to be well separated chromatographically. The NMR data showed that the MHBMA3 isomer investigated in most previous studies was NE. We did not detect NE and NZ in any samples; however, an interfering peak with varying heights was observed in most samples. Notably, under the chromatographic conditions used in the literature, the peak exhibited indistinguishable retention time from that of NE. Thus, it is highly likely that the interfering peak has been mis-identified as NE in previous studies, providing a reasonable explanation for the high MHBMA3 concentration in urine. The contradiction in the presence of MHBMA3 in urine was also caused by the mis-identification, because the researchers who reported the absence of MHBMA3 were actually detecting NZ. Thus, we clarified the confusion on MHBMA3 in previous studies through correctly identifying the two MHBMA3 isomers. The presence of NE and NZ in human urine warrants further investigations.
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JOURNAL OF DAIRY SCIENCE
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2021
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IF 4.034
Meng Wei,Ruo-Lin Zhou,Ting Luo,Ze-Yuan Deng,Jing Li
ABSTRACT Dairy fat intake has been considered as a risk factor for cardiovascular disease. Rodent models show that trans fatty acids in industrial hydrogenated oil and ruminant milk have different effects on cardiovascular diseases. One of the main reasons is that the distributions of trans fatty acids in triacylglycerols from dairy products and from industrial hydrogenated oil are different, which affects lipid absorption and metabolism. This study investigated the effects of 1,3-olein-2-elaidin (OEO, representing industrial hydrogenated oil triacylglycerols) and 1-vaccenic-2,3-olein (OOV, representing ruminant triacylglycerols in dairy products) on the function of human umbilical vein endothelial cells (HUVEC), including cell viability, lactate dehydrogenase (LDH) exudation rate, and nitric oxide secretory and nitric oxide synthase relative activity. We found that the detrimental effect of OEO on HUVEC was significantly greater than that of OOV. The results also showed that the absorption rate of OEO in HUVEC (78.25%) was significantly greater than that of OOV (63.32%). Mechanistically, based on phospholipidomics analysis, we found that calcium-independent phospholipase A2 (iPLA2) played a key role with regard to the OOV-mediated arachidonic acid (ARA)/COX-2/PG pathway, whereas secretory phospholipase A2 (sPLA2) and cytoplasmic phospholipase A2 (cPLA2) are responsible for the OEO-mediated ARA/COX-2/PG pathway. Moreover, OEO had a greater effect on the protein expression of COX-2 and PG secretion than OOV. In addition, iPLA2, sPLA2, and cPLA2 could mediate the ARA/CYP4A11 pathway in OOV-treated HUVEC, but only iPLA2 could mediate this pathway in HUVEC treated with OEO. We also found that sPLA2 could mediate the ARA/5-LOX pathway in HUVEC treated with OOV, but none of these 3 forms of PLA2 could mediate this pathway in HUVEC treated with OEO. On the other hand, after OOV treatment, trans -11 C18:1 was converted to beneficial forms of fatty acids in HUVEC, including conjugated linoleic acid (CLA) and trans -9 C16:1. In conclusion, we elucidated the potential mechanisms that might account for the diverse effects of triacylglycerols from industrial hydrogenated oil and ruminant milk on the function of HUVEC.
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JOURNAL OF HAZARDOUS MATERIALS
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2024
·
IF 12.2
Wanlun Li,Shutao Wang,Huize Fan,Ziwei Wang,Yingying Liu,Hong You
Fluorinated liquid crystal monomers (FLCMs) are widely employed in liquid crystal display (LCD) panels. As emerging environmental contaminants with persistent, bioaccumulative, and toxic properties, FLCMs were proven to accumulate in liver, raising great concern regarding potential hepatotoxicity. 1-Ethoxy-2,3-difluoro-4-(trans-4-propylcyclohexyl) benzene (EDPrB), as one representative FLCM, was chosen to investigate the hepatotoxicity in adult zebrafish (Danio rerio) at environmentally relevant concentrations (1, 10, and 100 μg/L) with long-term exposure (21 days). EDPrB caused morphological abnormalities, elevated transaminase activities, and inhibited antioxidant levels in zebrafish liver. The contents of total cholesterol and triglyceride were reduced by 2.3- and 1.82-fold, respectively, at 100 μg/L of EDPrB. Transcriptomic analysis revealed that EDPrB disrupted the lipid and glucose metabolisms, protein processing in endoplasmic reticulum (ER), and P53 signal pathway by dysregulating genes, such as fasn, acaca, acsl1b, hkdc1, xbp1, and ero1lb. EDPrB induced ER stress by activating PERK-eIF2α pathway, leading to hepatic metabolic dysfunction. PERK-eIF2α and P53-Bax/Bcl2 pathways were involved in EDPrB-induced apoptosis. Additionally, molecular simulation confirmed that EDPrB had a strong binding affinity to some lipid metabolism proteins (-8.9~-6.7 kcal/mol) and stress proteins (-9.3~-5.8 kcal/mol). The findings elucidate EDPrB-induced hepatotoxicity and underlying mechanisms, which contribute to assessing the ecological risk and pollution control of FLCMs.
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JOURNAL OF CHEMICAL AND ENGINEERING DATA
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2025
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IF 2.1
Dong-qin Bi,Shu-han Li,Xue-jia Zhang,Zi-xiao Zhao,Qi-chao Yang,Zhan-ping Qiao
Two-phase equilibrium of ternary systems of CdBr2–l-proline/(4-OH-l-proline)–H2O at T = 298.15 K is studied. Their isothermal solution equilibrium phase diagrams have been drawn based on the solubility data. Two double salts (Cd(C5H9NO2)Br2·H2O and Cd(C5H9NO3)Br2) have been found by the Schrienemakers method in phase diagrams, and they are all congruently soluble in water. Both of them have been synthesized and characterized by powder XRD and TG-DTG. For the first time, enthalpies of solution of Cd(C5H9NO2)Br2·H2O and Cd(C5H9NO3)Br2 are measured in water, and their standard molar enthalpies of formation at 298.15 K are calculated by designing thermochemical cycles according to the Hess law. By comparison, it is found that the region of infinite dissolution appears in the ternary system of CdBr2–l-proline–H2O at 298.15 K. If the composition of the solution is in this region, there is no crystal when the water evaporates and only a viscous mixture can be obtained.
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NEW JOURNAL OF CHEMISTRY
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2022
·Vol. 47
·期 3
·1328-1341
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IF 3.925
Fan-Zhi Bu,Yue-Ming Yu,Yu Yu,Cui-Wei Yan,Zhi-Yong Wu,Yan-Tuan Li
The current work aims to take full advantage of the structural superiority and hepatoprotective effect of the nutrient trans-p-coumaric acid (TPCA) to decrease the solubility and dissolution rate of the antimycotic agent 5-fluorocytosine (FLCY) by using a co-crystallization strategy, thereby giving a novel understanding into conquering the dose-limiting hepatotoxicity induced by the quick and almost complete absorption of FLCY. To that end, FLCY–TPCA, as the first cocrystal of FLCY and phenolic acid (a nutrient of the hydroxycinnamic acid type), is orientationally self-assembled and fully characterized. The single crystal structure shows that TPCA molecules in the crystal lattice locate at the polar sites in situ of FLCY via robust hydrogen bond interaction, thus creating a vital planar construction (VPC) possessing hydrophobicity, which results in the simultaneous down-regulation for the cocrystal of solubility and dissolution rate versus the parent FLCY. The outcomes of the experiment are strongly supported by related theory research. Molecular electrostatic potential (MEP) calculation showed that the VPC polarity in the cocrystal is lower than that of free FLCY, which conforms with the reduction in polarity due to intensifying hydrogen-bond energy based on topology analysis with atoms in molecules (AIM) theory, hence conferring a conspicuous improvement in hydrophobicity on the cocrystal. Furthermore, the molecular planarity analysis based on Multiwfn's wave function calculation module confirms the convergence in planarity at a two-dimensional infinite level, which undoubtedly contributes to forming a tight three-dimensional supramolecular superposition landscape, corresponding with the coinstantaneous reinforcement of π–π stacking interaction evidenced by the reduced density gradient (RDG), and all these results further support the fact that the hydrophobicity of the FLCY–TPCA cocrystal is significantly enhanced. As a result, the current contribution exemplifies a feasible cocrystallization strategy using integrated experimental and systematic theoretical approaches to overcome the intractable toxicity issues of antifungal agents.
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Environmental Science-Nano
·
2021
·Vol. 9
·期 1
·162-172
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IF 8.131
Kai Zhang,Zhenqiang Fan,Yuedi Ding,Sha Zhu,Minhao Xie,Nan Hao
In this paper, we present the first idea of using a DNA triple helix structure to inhibit CRISPR-Cas12a activity and apply it to the design of an electrochemiluminescent biosensor for the detection of the severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) RNA-dependent RNA polymerase (RdRp) gene in real samples and environmental surveillance. We employed a segment from the RdRp gene of SARS-CoV-2 by an entropy-driven reaction, which was paired with double-stranded DNA that can activate CRISPR-Cas12a activity by Hoogsteen pairing to form triple-stranded DNA, thereby inhibiting the binding interaction of the double-stranded DNA with CRISPR-Cas12a, which in turn inhibits the trans cleavage activity of CRISPR-Cas12a. The inhibited CRISPR-Cas12a is unable to cut the nucleic acid modified on the electrode surface, resulting in the inability of the ferrocene (Fc) modified on the other end of the nucleic acid to move away from the electrode surface, and thus failing to cause electrochemiluminescence changes in GOAu–Ru modified on the electrode surface. The extent of the electrogenic chemiluminescence change can reflect the concentration of the gene to be tested. Using this system, we achieved the detection of the SARS-CoV-2 RdRp gene with a detection limit of 32.80 aM.
研究领域:
分子生物学
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生物技术
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分析化学
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病毒学
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