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BACKGROUND: Natural deep eutectic solvents (NADESs), a class of green solvents which completely accords to 12 principles of green chemistry, have proven to have great potential applications in enzymatic reactions. Despite strong interest, the role of NADESs in these processes, and the molecular interaction between enzymes and NADESs, still remain ambiguous. In the present study, the stability and activity of Candida Antarctica lipase B (CALB) were studied, and the mechanism by which CALB was activated in NADESs was explored systematically from both molecular-and macroscopic-scale perspectives. RESULTS:The results suggested that the activity of CALB in all NADESs was significantly higher than that of the control (ethanol). Moreover, the stability of CALB increased to 115.48 ± 1.36% and 108.54 ± 1.26% in betaine-glycerin (B-Gly) and choline chloride-glycerol (C-Gly), but decreased to 91.69 ± 3.26% and 92.31 ± 3.36% in betaine-xylitol (B-X) and choline chloride-xylitol (C-X), respectively. The results of circular dichroism (CD), fluorescence spectroscopy and molecular dynamics studies (MD) indicated that there was no significant change in the secondary structure of CALB. Furthermore, the results of MD provide some information supporting that CALB was stabilized by the hydrogen(H)-bonding interaction between surface amino residues of CALB and NADESs and was activated via the H-bonding interaction between substrate and NADESs in the acyl-binding pocket. CONCLUSION: The mechanism by which CALB was activated and stabilized via the H-bonding interactions in NADESs wasrevealed in the present study. This provides a scientific basis from which to further explore the potential application of NADESs in enzymatic reactions in food engineering and health-related fields.

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BACKGROUND Deep‐frying oil has been found to cause inflammatory bowel disease (IBD). However, the molecular mechanism of the effect of deep‐frying palm oil on IBD still remains undetermined. RESULTS In the present study, bioinformatics and cell biology were used to investigate the functions and signal pathway enrichments of differentially expressed genes. The bioinformatics analysis of three original microarray datasets (GSE73661, GSE75214 and GSE126124) in the NCBI‐Gene Expression Omnibus database showed 17 down‐regulated genes (logFC < 0) and 2 up‐regulated genes (logFC > 0) existed in the enteritis tissue. Meanwhile, pathway enrichment and protein–protein interaction network analysis suggested that IBD is relevant to cytotoxicity, inflammation and apoptosis. Furthermore, Caco‐2 cells were treated with the main oxidation products of deep‐frying oil‐total polar compounds (TPC) and its components (polymerized triglyceride, oxidized triglycerides and triglyceride degradation products) isolated from deep‐frying oil. The flow cytometry experiment revealed that TPC and its components could induce apoptosis, especially for oxidized triglyceride. A quantitative polymerase chain reaction analysis demonstrated that TPC and its component could induce Caco‐2 cell apoptosis through AQP8/CXCL1/TNIP3/IL‐1. CONCLUSION The present study provides fundamental knowledge for understanding the effects of deep‐frying oils on the cytotoxic and inflammatory of Caco‐2 cells, in addition to clarifying the molecular function mechanism of deep‐frying oil in IBD. © 2021 Society of Chemical Industry.

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With their extreme advantages in high surface activity, bacteriostasis, and low toxicity, lipoamino acids (LAA) attracted widespread academic and industrial interests. In this study, natural deep eutectic solvents (NADESs), were adopted as a medium of enzymatic synthesis of lauroyl glycine (LG). The highest yield of 50.49 ± 1.94% was obtained in the C-Gly system. Interestingly, a synergistic effect between CALB and NADESs was found in this section. We proposed that anions play a key role in this process. To explore it, metal chloride hydrates were added into C-Gly. Fortunately, seven kinds of three-constituent NADESs (3c-NADESs) with a low viscosity were successfully formed. All of these new-design solvents were used as a medium of enzymatic of LG, and the highest yield of LG can reach 85.97 ± 1.86% after optimization. To explore the mechanism of the synergistic effect between CALB and 3c-NADESs. The results of molecular dynamics studies (MD) showed that there was no significant change of CALB in this process, which indicated that CALB may play a secondary role in the synergistic effect. In this context, we studied the molecular interaction between Mg-CGly and lauric acid, and the reaction processes were studied in depth via IRC method. The results suggested that a strong H-bond was formed between Cl– and lauric acid. This interaction may increase the electron-attracting ability of fatty acids and make them more susceptible to be attacked by amino acids and thus to increase the yield of amidation reaction of lauric acid and glycine.