JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY
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2022
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IF 5.895
De-Fu Hong,Gui-Lin Hu,Xing-Rong Peng,Xiao-Yuan Wang,Yan-Bing Wang,Abdulbaset Al-Romaima,Zhong-Rong Li,Ming-Hua Qiu
A total of 11 new (1–11) and 2 known (12 and 13) ent-kaurane diterpene derivatives were identified from the roasted beans of Coffea cultivar S288. Their structures were established by extensive spectroscopic analysis, including one- and two-dimensional nuclear magnetic resonance (heteronuclear single-quantum correlation, heteronuclear multiple-bond correlation, correlation spectroscopy, and rotating-frame Overhauser enhancement spectroscopy), high-resolution electrospray ionization mass spectrometry, and X-ray analyses. Cafespirone acid A (1) represents the first example of diterpene featuring a spirocyclic skeleton constructed from a 6/6/5 tricyclic system. Cafeane acid A (2) possesses a 6/6/6/5 tetracyclic system as a result of the C/D ring rearrangement. Furthermore, compounds 1–12 were evaluated for their α-glucosidase inhibitory activity. The results showed that compounds 2, 4, 5, 6, 7, 10, and 11 had a moderate inhibitory effect on α-glucosidase, and half-maximal inhibitory concentration values of compounds 4, 6, 7, and 10 were 18.76 ± 1.46, 4.88 ± 0.03, 12.35 ± 0.91, and 12.64 ± 0.59 μM, respectively, compared to the positive control acarbose (60.71 ± 16.45 μM). Additionally, the molecular docking experiments showed that the carbonyl group at C-19 of compounds 4, 6, and 7 formed strong hydrogen bonds with ARG315, which may make them have moderate inhibitory activity.
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APPLIED SURFACE SCIENCE
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2022
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IF 7.392
Yi Peng,Ying Yan,Jing Wang,Ziyang Xiang,Yanmei Li,Junhui Yang,Jinglin Yin,Wenlei Wang,Hongbo Xiao
In this study, CdSe cluster-modified biogenic α − FeOOH based on macroporous biochar was constructed from rhizosphere iron plaque via pyrolysis. An ultrahigh H 2 O 2 production rate of 655.75 μmol/L was achieved by the photocatalysis-self-Fenton system within 30 min under visible light irradiation. α-FeOOH, with abundant iron ions, can directly activate H 2 O 2 to produce abundant ⋅OH radicals. It was found that As(III) (10 mg/L) could be completely degraded within 20 min. Electron spin resonance spectroscopy (ESR) and density functional theory (DFT) revealed that a suitable energy band structure was achieved by the introduction of CdSe clusters; thus, O 2 was mainly reduced to H 2 O 2 through a two-electron reduction route in the reaction system. The photogenerated electrons promoted the conversion of Fe(III)/Fe(II) by reacting with Fe(III) in α-FeOOH. The presence of H 2 O 2 and Fe 2+ in this system accelerates the oxidation of As(III) by a Fenton-like reaction.
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LWT-FOOD SCIENCE AND TECHNOLOGY
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2022
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IF 6.056
Jinzhe Li,Yue Liu,Tianqi Li,Munkh-Amgalan Gantumur,Abdul Qayum,Akhunzada Bilawal,Zhanmei Jiang,Lizhe Wang
Change in conformational and digestive properties of α-lactalbumin (α-LA) induced by safflower yellow (SY) in combination with microwave (MW) heating treatment (70, 80, 90 °C, 10 min) was investigated. Fluorescence study showed that the binding affinity of SY for α-LA increased with temperature. Meanwhile, the quenching mode of SY to α-LA intrinsic fluorescence was static, its binding constant to α-LA was enhanced with increasing temperature. The major interaction forces in α-LA-SY complexation contained hydrophobic force and hydrogen bond. Fourier transform infrared revealed that binding of SY altered α-LA conformation, and increasing MW temperature could have a boost effect on the conversion of α-helix and β-sheet to random coil and β-turn. In addition, SY had a little inhibiting influence on α-LA in vitro digestibility and degree of hydrolysis, while MW heating facilitated those of α-LA-SY complex. Moreover, antioxidant capacities of α-LA-SY complexes was enhanced as a function of temperature. Therefore, increasing MW temperature could facilitate non-covalent interaction (α-LA and SY) and improve α-LA digestibility and antioxidant capacities. These findings were helpful to better recognize α-LA structure and functionality as well as keep SY biological activity by controlling the processing temperature, providing a theoretical data of functional dairy-based products in food industry.
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MOLECULES
·
2022
·Vol. 27
·期 4
·1220
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IF 4.927
Yanmin Qin,Xiaopeng Chen,Linlin Wang,Xiaojie Wei,Weijian Nong,Xuejuan Wei,Jiezhen Liang
The solubility of dehydroabietic acid in (−)-α-pinene, p-cymene, (−)-β-caryophyllene, (−)-α-pinene + p-cymene, (−)-β-caryophyllene + p-cymene and (−)-α-pinene + (−)-β-caryophyllene were determined using the laser monitoring method at atmospheric pressure. The solubility of dehydroabietic acid was positively correlated with temperature from 295.15 to 339.46 K. (−)-α-pinene, p-cymene, and (−)-β-caryophyllene were found to be suitable for the solubilization of dehydroabietic acid. In addition, the non-random two liquid (NRTL), universal quasi-chemical (UNIQUAC), modified Apelblat, modified Wilson, modified Wilson–van’t Hoff, and λh models were applied to correlate the determined solubility data. The modified Apelblat model gave the minor deviation for dehydroabietic acid in monosolvents, while the λh equation showed the best result in the binary solvents. A comparative analysis of compatibility between solutes and solvents was carried out using Hansen solubility parameters. The thermodynamic functions of ΔsolH0, ΔsolS0, ΔsolG0were calculated according to the van’t Hoff equation, indicating that the dissolution was an entropy-driven heat absorption process. The Conductor-like Screening Model for Real Solvents (COSMO-RS) combined with an experimental value was applied to predict the reasonable solubility data of dehydroabietic acid in the selected solvents systems. The interaction energy of the dehydroabietic acid with the solvent was analyzed by COSMO-RS.Keywords:COSMO-RS;solubility;dehydroabietic acid
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MOLECULES
·
2022
·Vol. 27
·期 5
·1457
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IF 4.927
Ying Zhang,Yanna Pan,Jiaqi Li,Zeng Zhang,Yanming He,Hongjie Yang,Ping Zhou
The prevention of postprandial hyperglycemia and diabetic complications is crucial for diabetes management. Inhibition of α-glucosidase to slow carbohydrate metabolism is a strategy to alleviate postprandial hyperglycemia. In addition, suppression of non-enzymatic glycation can diminish the advanced glycation end products and reduce the oxidative stress and inflammation, thereby preventing the diabetic complications. In this study, an anti-oxidative proteoglycan (namedFYGL) extracted fromGanoderma lucidumwas investigated in vitro for its inhibitory effect on α-glucosidase and non-enzymatic glycation using molecular kinetics, intrinsic fluorescence assay, and bovine serum albumin glycation models. The molecular kinetics and fluorescence assay revealed thatFYGLdecreases α-glucosidase activity by forming aFYGL–α-glucosidase complex. To evaluate the anti-glycation effect, fructose-glycated and methylglyoxal-glycated BSA models were analyzed by spectroscopic and SDS-PAGE methods. Results showed thatFYGLinhibited the glycation at every stage and suppressed glycoxidation, possibly due to its anti-oxidative capacity andFYGL–BSA complex formation. Furthermore, we demonstrated in vivo thatFYGLcould alleviate postprandial hyperglycemia indb/dbmice as well as AGE accumulation and vascular injury in diabetic rats. Overall,FYGLpossesses anti-postprandial hyperglycemia and anti-glycation functions and would be potentially used in clinic for diabetes and related complication management.Keywords:Ganoderma lucidum;postprandial hyperglycemia;α-glucosidase;non-enzymatic glycation;advanced glycation end products (AGEs)
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FOOD CHEMISTRY
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2022
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IF 9.231
Yuting Fan,Qingyu He,Chao Gan,Zhen Wen,Jiang Yi
The interactions between bovine α-lactalbumin and procyanidin B2 were fully investigated by spectroscopic methods and molecular docking. This study hypothesized that ALA could spontaneously interact with procyanidin B2 to form protein-based complex delivery carrier. Far UV CD and FTIR data demonstrated ALA’s secondary structures were altered and intrinsic fluorescence quenching suggested ALA conformation was changed with procyanidin B2. Calorimetric technique illustrated ALA-procyanidin B2 complexation was a spontaneous and exothermic process with the number of binding site (n, 3.53) and the binding constant (K b , 2.16 × 10 4 M −1 ). A stable nano-delivery system with ALA can be formed for encapsulating, stabilizing and delivering procyanidin B2. Molecular docking study further elucidated that hydrogen bonds dominated procyanidin B2 binding to ALA in a hydrophobic pocket. This study shows great potential in using ALA as protein-based nanocarriers for oral delivery of hydrophilic nutraceuticals, because procyanidin B2-loaded ALA complex delivery systems can be spontaneously formed.
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Nutrients
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2022
·Vol. 14
·期 9
·1931
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IF 6.706
Lei Guan,Haoyuan Long,Fazheng Ren,Yixuan Li,Hao Zhang
Phenolic acids are widely found in fruits and vegetables. The inhibitory effect of phenolic acids on α-amylase, a key enzyme for starch digestion, has attracted the attention of researchers. To further investigate the effects of different substituents on the benzene ring of phenolic acid on the inhibition of α-amylase activity, in vitro experiments and molecular docking were used. The structure-activity relationships of 17 phenolic acids with benzoic acid as the parent nucleus were analyzed by determining their half inhibitory concentration (IC50) toward α-amylase. The results showed that 2,3,4-trihydroxybenzoic acid had the strongest inhibitory effect on α-amylase with an IC50value of 17.30 ± 0.73 mM. According to the structure-activity analysis, the hydroxyl group at the 2-position on the benzene ring had a strong positive effect on the inhibitory activity of α-amylase, while methoxylation at the 2-position and hydroxylation at the 5-position had a negative effect. Molecular docking revealed that hydrogen bonding and hydrophobic interactions were involved in the inhibition, with hydrogen bonding being the primary force. These findings provide a more comprehensive understanding of phenolic acids as inhibitors of α-amylase and provide new ideas for the design of dietary formulations for diabetic patients.Keywords:phenolic acid;in vitro digestion;molecular docking;porcine pancreatic α-amylase;structure-activity relationship
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Annals of Translational Medicine
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2022
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IF 3.616
Weidong Li,Lisha Li,Fujie Yang,Qiongying Hu,Daqian Xiong
Background The relationship between gut microbiota and metabolites play an important role in the occurrence and development of type 2 diabetes mellitus (T2DM). However, the interaction between intestinal flora abundance and metabolites is still unclear. The purpose of this study was to investigate the correlation of the interaction network between intestinal flora and fecal metabolites in regulating the occurrence of T2DM. Methods This a case-control study. T2DM patients with different glucose levels and healthy people were divided into case group and normal controls (NC) group. Fasting plasma and fecal samples were collected from the subjects. Ultra-performance liquid chromatography-tandem mass spectrometry (LC-MS) untargeted fecal metabolomics was used to detect small molecular metabolites within 1,500 Da in two groups. The diversity and richness of intestinal flora were analyzed by the 16SrRNA third-generation full-length sequencing technique and the correlation between intestinal microflora and different metabolites was evaluated. Results A total of 30 patients with T2DM and 21 NC were included for analysis, glycated hemoglobin (HbAlc) (P<0.001), fasting blood glucose (FBG) (P<0.001), total triglycerides (TG) (P=0.002), and fasting serum insulin (FINS) (P=0.026) were significantly higher in the T2DM group compared with the NC group. The fecal metabolomics profiles of the T2DM group and NC group were significantly different, and 355 different metabolites were identified among the two. Compared with the NC group, the levels of ornithine (P=0.04), L-lysine (P=0.03), glutamate (P=0.01), alpha-linolenic acid (P=0.004), traumatin (P=0.05), and erucic acid (P=0.004) in the T2DM group decreased significantly, while PC[18:3(6Z,9Z,12Z)/24:1(15Z)] (P<0.001) levels increased. Compared with the NC group, the richness of Megamonas and Escherichia increased in T2DM patients, while that of Bacteroidota and Phascolarctobacterium were lower. Pearson correlation analysis revealed associations between gut microbiota and faecal metabolites, and Phascolarctobacterium was positively correlated with alpha-linolenic acid (r=0.72, P<0.001). Conclusions There may be a mutual regulatory network between intestinal bacteria and fecal metabolites in T2DM. The increased abundance of Phascolarctobacterium may increase alpha-linolenic acid uptake, and alpha-linolenic acid may also increase the abundance of intestinal Phascolarctobacterium in vivo after metabolic transformation. The combination of the two may play an important role in the treatment of diabetes.
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Inorganic Chemistry Frontiers
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2022
·Vol. 9
·期 14
·3578-3589
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IF 7.779
Jie-hao Lia,Rui-hong Liu,Meng Ning,Yi-lei Li,Ying Liu,Xinying Liu,Phathutshedzo Khangale,Diane Hildebrandt,Xiao-jing Wang,Fa-tang Li
Constructing heterostructured photocatalysts will generally improve the separation efficiency of photo-induced carriers; however, the change in the energy band position that affects their redox ability has received little attention. In this work, α-Bi2O3/Bi5NO3O7 heterojunctions are prepared via solution combustion synthesis and characterized by UV-vis DRS, Mott–Schottky and Kelvin probes, and the band structures of α-Bi2O3 and Bi5NO3O7 before and after the formation of the heterojunction are obtained. The results of the degradation of rhodamine B and tetracycline indicate that the main active species are holes and superoxide anion radicals, respectively. Although separation efficiency over heterojunctions is higher than that over individual Bi5NO3O7 and α-Bi2O3, lower degradation ability is observed. The reason is that the heterojunction formation causes an upward shift of the valence band of Bi5NO3O7 and a downward shift of the conduction band of α-Bi2O3, which reduces the oxidation ability of holes and the ability to activate molecular oxygen, respectively. The decrease in the redox ability outweighs the positive impact of enhanced separation efficiency.
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CHINESE JOURNAL OF CHEMICAL ENGINEERING
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2022
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IF 3.898
Chen Chen,Yujie Liu,Qiong Tang,Hong Xu,Mingxing Tang,Xuekuan Li,Lei Liu,Jinxiang Dong
A new category of lithium greases was synthesized by using poly- α -olefin (PAO8) and alkyl-tetralin as base oil, where the alkyl-tetralins were synthesized by the alkylation of tetralin and olefins. The influence of thickener concentration, alkyl-tetralin content and type of blend oils on the rheological and tribological performance of lithium grease was investigated. The microstructures of soap fibers were measured to reveal the structure–property correlations. The concentration of thickener and alkyl-tetralin content obviously affect the lubricating performance of lithium grease, while the molecular structure of alkyl-tetralin has no obvious impact on their properties. It was found that alkyl-tetralin could significantly enhance the thickening ability of PAO8 base oils, and decrease the amount of thickeners by 1.5% (mass). Lithium greases prepared using 20% (mass) alkyl-tetralin as co-base oil exhibited high colloidal stability, excellent rheological behaviors and tribological properties.
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JOURNAL OF DRUG TARGETING
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2022
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IF 5.016
Jian Li,Xin Tian,Kang Wang,Yong Jia,Fuguang Ma
Dissolving microneedles, the promising vehicles for transdermal delivery, are incapable of directly loading hydrophobic components that limit the application of transdermal drug delivery. Microemulsion holds great potential in the solubilisation of water-insoluble drugs but is limited by the high epidermal retention. In this study, we fabricated microemulsion-incorporated dissolving microneedles co-loading celecoxib and α-linolenic acid (Cel-MEs@MNs) for enhancing osteoarthritis (OA) therapy via synergistic anti-inflammation and potent transdermal delivery. Cel-MEs@MNs composed of celecoxib & α-linolenic acid-coloaded microemulsion (Cel-MEs) and hyaluronic acid-based microneedles (MNs) can be completely dissolved in 90 s with a particle size of ∼30 nm. Each microneedle array with a hardness exceeding 30 N contained 57.9 ± 2.5 μg of celecoxib and 442.5 ± 24.2 μg of α-linolenic acid. The 8 h-cumulative transdermal of celecoxib from Cel-MEs@MNs was 89.2 ± 5.1 μg celecoxib/cm2, which is 2.98-fold higher than that from Cel-MEs. Combinational celecoxib and α-linolenic acid with a weight ratio of 1/5 can synergistically induce M1-like macrophage to M2 repolarization, reduce M1-like macrophages-resulted chondrocytes apoptosis, and lower serum prostaglandin E-2 (PGE-2). Notably, Cel-MEs@MNs amplified such collaborated anti-inflammatory effects. More importantly, in the treatment of OA-bearing rat models, Cel-MEs@MNs with a half-dose of celecoxib and α-linolenic acid significantly shrunk the paw swelling, reduced inflammatory cytokines, and improved cartilage damage compared with the oral administration of celecoxib and α-linolenic acid, as well as transdermal administration of Cel-MEs. Such an integrational strategy of microemulsion-incorporated dissolving MNs offers the feasibility of combinational celecoxib and α-linolenic acid in transdermal permeation and boosted OA therapy.
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CARBOHYDRATE POLYMERS
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2022
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IF 10.723
Bo Tang,Xuewen Yang,Aiwen Zhang,Qiuxiang Wang,Lei Fan,Guihua Fang
Low molecular weight heparin (LMWH), an anionic polysaccharide , has been widely used as a clinical anticoagulant . However, repeated subcutaneous injection is sometimes required due to its short half-life. To reduce the dosing frequency, the injectable polypseudorotaxane hydrogel was fabricated by inclusion complexation formation between Tween 80 and α-Cyclodextrin (αCD) for sustained release of LMWH. The physicochemical properties of such hydrogel were characterized by SEM, XRD, DSC , and FTIR . This hydrogel showed shear-thinning and thixotropic behavior and was easily injected through standard syringe needles. The gelation time, mechanical strength, shear viscosity, in vitro drug release rate, in vitro hydrogel dissolution rate, and in vivo hydrogel retention could be tuned by αCD concentration in the hydrogel. In vivo safety evaluation indicated that the polypseudorotaxane hydrogel was biocompatible. Most importantly, this polypseudorotaxane hydrogel could sustain release of LMWH after subcutaneous injection.
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危险品化学品经营许可证（带存储）