Xiaohui Duan  Mina Zhang  Huan Du  Xiu Gu  Caihong Bai  Liuqiang Zhang  Kaixian Chen  Kaifeng Hu  Yiming Li 《Molecules (Basel, Switzerland)》2022,27(15)

Scrophulariae Radix (SR) is one of the oldest and most frequently used Chinese herbs for oriental medicine in China. Before clinical use, the SR should be processed using different methods after harvest, such as steaming, “sweating”, and traditional fire-drying. In order to investigate the difference in chemical constituents using different processing methods, the two-dimensional (2D) ¹H-¹³C heteronuclear single quantum correlation (¹H-¹³C HSQC)-based metabolomics approach was applied to extensively characterize the difference in the chemical components in the extracts of SR processed using different processing methods. In total, 20 compounds were identified as potential chemical markers that changed significantly with different steaming durations. Seven compounds can be used as potential chemical markers to differentiate processing by sweating, hot-air drying, and steaming for 4 h. These findings could elucidate the change of chemical constituents of the processed SR and provide a guide for the processing. In addition, our protocol may represent a general approach to characterizing chemical compounds of traditional Chinese medicine (TCM) and therefore might be considered as a promising approach to exploring the scientific basis of traditional processing of TCM.  相似文献   

    

Shanru He  Yuanyuan Chen  Lulu Wang  Xue Bai  Tingting Bu  Jie Zhang  Ming Lu  Nam-Chul Ha  Chunshan Quan  Ki Hyun Nam  Yongbin Xu 《Molecules (Basel, Switzerland)》2022,27(15)

Pyridoxal 5′-phosphate (PLP) is the active form of vitamin B6, but it is highly reactive and poisonous in its free form. YggS is a PLP-binding protein found in bacteria and humans that mediates PLP homeostasis by delivering PLP to target enzymes or by performing a protective function. Several biochemical and structural studies of YggS have been reported, but the mechanism by which YggS recognizes PLP has not been fully elucidated. Here, we report a functional and structural analysis of YggS from Fusobacterium nucleatum (FnYggS). The PLP molecule could bind to native FnYggS, but no PLP binding was observed for selenomethionine (SeMet)-derivatized FnYggS. The crystal structure of FnYggS showed a type III TIM barrel fold, exhibiting structural homology with several other PLP-dependent enzymes. Although FnYggS exhibited low (<35%) amino acid sequence similarity with previously studied YggS proteins, its overall structure and PLP-binding site were highly conserved. In the PLP-binding site of FnYggS, the sulfate ion was coordinated by the conserved residues Ser201, Gly218, and Thr219, which were positioned to provide the binding moiety for the phosphate group of PLP. The mutagenesis study showed that the conserved Ser201 residue in FnYggS was the key residue for PLP binding. These results will expand the knowledge of the molecular properties and function of the YggS family.  相似文献   

    

Jifeng Yu  Song Li  Dianze Chen  Dandan Liu  Huiqin Guo  Chunmei Yang  Wei Zhang  Li Zhang  Gui Zhao  Xiaoping Tu  Liang Peng  Sijin Liu  Xing Bai  Yongping Song  Zhongxing Jiang  Ruliang Zhang  Wenzhi Tian 《Molecules (Basel, Switzerland)》2022,27(17)

Background: Targeting the CD47/SIRPα signaling pathway represents a novel approach to enhance anti-tumor immunity. However, the crystal structure of the CD47/SIRPα has not been fully studied. This study aims to analyze the structure interface of the complex of CD47 and IMM01, a novel recombinant SIRPα-Fc fusion protein. Methods: IMM01-Fab/CD47 complex was crystalized, and diffraction images were collected. The complex structure was determined by molecular replacement using the program PHASER with the CD47-SIRPαv2 structure (PDB code 2JJT) as a search model. The model was manually built using the COOT program and refined using TLS parameters in REFMAC from the CCP4 program suite. Results: Crystallization and structure determination analysis of the interface of IMM01/CD47 structure demonstrated CD47 surface buried by IMM01. Comparison with the literature structure (PDB ID 2JJT) showed that the interactions of IMM01/CD47 structure are the same. All the hydrogen bonds that appear in the literature structure are also present in the IMM01/CD47 structure. These common hydrogen bonds are stable under different crystal packing styles, suggesting that these hydrogen bonds are important for protein binding. In the structure of human CD47 in complex with human SIRPα, except SER66, the amino acids that form hydrogen bonds are all conserved. Furthermore, comparing with the structure of PDB ID 2JJT, the salt bridge interaction from IMM01/CD47 structure are very similar, except the salt bridge bond between LYS53 in IMM01 and GLU106 in CD47, which only occurs between the B and D chains. However, as the side chain conformation of LYS53 in chain A is slightly different, the salt bridge bond is absent between the A and C chains. At this site between chain A and chain C, there are a salt bridge bond between LYS53 (A) and GLU104 (C) and a salt bridge bond between HIS56 (A) and GLU106 (C) instead. According to the sequence alignment results of SIRPα, SIRPβ and SIRPγ in the literature of PDB ID 2JJT, except ASP100, the amino acids that form common salt bridge bonds are all conserved. Conclusion: Our data demonstrated crystal structure of the IMM01/CD47 complex and provides a structural basis for the structural binding interface and future clinical applications.  相似文献   

    

Junyan Xu  Daochun Xu  Xiaopeng Bai  Rongchao Yang  Jiale Cao 《Molecules (Basel, Switzerland)》2022,27(20)

Walnuts with their shells are a popular agricultural product in China. However, mildew from growth can sometimes be processed into foods. It is difficult to visually determine which walnuts have mildew without breaking the shells. A non-destructive method for detecting walnuts with mildew was studied by combining spectral data with image information. A total of 120 “Lüling” walnuts with shells were used for the mildew experiment. The characteristics of the spectral data from six surfaces of all samples were collected in the range of 370–1042 nm on days 0, 15, and 30. The spectrum was pretreated using SNV, and the feature bands were extracted using PCA and modeled using a support vector machine (SVM). The results show that the overall classification accuracy was 93%, with an of accuracy of 100% for INEN walnuts (normal internally and externally). The accuracy for IMEM walnuts (mildew internally and externally) reached 87.29%. There was an accuracy of 78.6% for IMEN walnuts (mildew internally and normal externally). The non-destructive detection of mildewed walnuts can be undertaken using hyperspectral imaging technology, which provides a new technique for exploring the mechanisms of walnuts with mildew.  相似文献   

    

Ya Liu  Fangbo Yu  Feng Wang  Shengjie Bai  Guiwei He 《结构化学》2022,41(1):34-39

Producing chemical fuels from sunlight enables a sustainable way for energy consumption.Among various solar fuel generation approaches,photocatalytic CO₂ reduction has the advantages of simple structure,mild reaction condition,directly reducing carbon emissions,etc.However,most of the current photocatalytic systems can only absorb the UV-visible spectrum of solar light.Therefore,finding a way to utilize infrared light in the photocatalytic system has attracted more and more attention.Here,a Z-scheme In₂S₃-TiO₂ was constructed for CO₂ reduction under concentrated natural sunlight.The infrared light was used to create a high-temperature environment for photocatalytic reactions.The evolution rates of H2,CO,and C2H5OH reached 262.2,73.9,and 27.56μmol?h^-1?g^-1,respectively,with an overall solar to fuels efficiency of 0.002%.This work provides a composite photocatalyst towards the utilization of full solar light spectrum,and could promote the research on photocatalytic CO₂ reduction.  相似文献   

    

Li Yang  Li-yuan Xie  Xuan Chen  Xiao-hong Bai  Shuang Hu 《Journal of separation science》2022,45(13):2252-2261

A novel solvent terminated microextraction method based on a natural deep eutectic solvent (L-menthol and lactic acid at a molar ratio of 1:2) coupled with high-performance liquid chromatography was proposed, which was utilized for the separation and enrichment of bisdemethoxycurcumin, demethoxycurcumin and curcumin in Curcumae Longae Rhizoma and turmeric tea. The effects of independent parameters on extraction efficiency were optimized by single-factor analysis. Subsequently, four predominated parameters affecting the extraction procedure, including extractant volume, salt concentration, demulsifier consumption, and demulsification time, were further evaluated by a central composite design. Under the optimized conditions, the linear ranges of calibration curves were 0.005–0.5 μg/mL for bisdemethoxycurcumin, 0.004–0.4 μg/mL for demethoxycurcumin, and 0.0045–0.45 μg/mL for curcumin, respectively. In addition, the developed method provided low detection limits (0.1–0.4 ng/mL) and high enrichment factors (279–350). Its intra-day and inter-day precision were carried out by relative standard deviation ranging from 2.2 to 9.2%. Finally, the applicability of this method was assessed by the analysis of Curcumae Longae Rhizoma and turmeric tea samples. The results showed that these samples were detected successfully and the spiked recoveries over the range of 85.3-108.9% with relative standard deviations of 1.6-8.9% were attained, indicating its high relative recoveries with good precision in real sample analysis.  相似文献   

    

Dr. Xingwang Lan  Juan Wang  Qing Li  Aiqing Wang  Yize Zhang  Xianheng Yang  Prof. Guoyi Bai 《ChemSusChem》2022,15(4):e202102455

Solar-driven photocatalytic chemical transformation provides a sustainable strategy to produce valuable feedstock, but designing photocatalysts with high efficiency remains challenging. Herein, two acetylene- or vinylene-bridged π-conjugated covalent triazine polymers, A-CTP-DPA and V-CTP-DPE, were successfully fabricated toward metal-free photocatalytic oxidation under visible light irradiation. Compared to the one without acetylene or vinylene bridge, both resulting polymers exhibited superior activity in photocatalytic selective oxidation of sulfides and oxidative coupling of amines; in particular, A-CTP-DPA delivered an optimal photocatalytic performance. The superior activity was attributed to the broadened spectral response range, effective separation, rapid transportation of photogenerated charge carriers, and abundant active sites for photogenerated electrons due to the existence of the acetylene bridge in the framework. This work highlights the potential of acetylene and vinylene bridges in tuning catalytic efficiency of organic semiconductors, providing a guideline for the design of efficient photocatalysts.  相似文献   

    

Huan Wang  Dr. Yudong Li  Prof. Dr. Shaoli Liu  Dr. Mohamed Makha  Dr. Jian-Fei Bai  Prof. Yuehui Li 《ChemSusChem》2022,15(10):e202200227

Herein a carbon dioxide-promoted synthetic approach for the direct amidation between unactivated thioacid salts and amines under mild conditions was developed for a wide range of substrates. The method afforded amides in good to excellent yields under transition-metal-free and activation-reagent-free conditions, in sharp contrast to early methodologies on amide synthesis based on transition-metal catalysis. The method offered a greener and transition metal-free protocol applicable to pharmaceuticals preparations. Phenolic compounds were also found to be suitable acylation substrates with potassium thiosulfide KHS as the only byproduct. Moreover, this approach was applied to amide synthesis of valuable bio-active molecules such as moclobemide, melatonin, and a fungicide. Insights into the reaction mechanism involving carbon dioxide were provided through NMR spectroscopy and computational calculations. A plausible mechanism was proposed that involves weak interactions between carbon dioxide and potassium thioacetate in a dynamic equilibrium state formation of a six-membered ring.  相似文献   

    

Xian Wu  Prof. Dr. Yuhe Liao  Dr. Jeroen Bomon  Dr. Guilong Tian  Prof. Dr. Shao-Tao Bai  Korneel Van Aelst  Dr. Qiang Zhang  Walter Vermandel  Ben Wambacq  Prof. Dr. Bert U. W. Maes  Prof. Dr. Jihong Yu  Prof. Dr. Bert F. Sels 《ChemSusChem》2022,15(7):e202200358

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Yuyao Zeng  Dr. Bowei Wang  Dr. Fanyong Yan  Wensheng Xu  Dr. Guoyi Bai  Dr. Yang Li  Dr. Xilong Yan  Prof. Ligong Chen 《ChemCatChem》2022,14(13):e202200311

The reductive amination of biomass-derived levulinic acid (LA) to value-added N-substituted pyrrolidinones with amine and molecular hydrogen over heterogeneous catalyst represents an atom-economical and scalable route. In this paper, a series of boron doped Cu/Al₂O₃ catalysts via kneading and impregnation method are developed for the continuous reductive amination of LA. Compared with Cu/Al₂O₃, Cu₁₀/AlB₃O catalyst exhibits greatly improved catalytic performance for this reaction at low operation temperature. Structure-property correlation investigations were performed with diverse characterization methods, and the results revealed that the excellent catalytic performance of boron doped Cu/Al₂O₃ catalysts was mainly attributed to the synergistic effect of its well-dispersed Cu nanoparticles, appropriate surface Cu electronic state and surface acidic sites nearby. Besides, Cu₁₀/AlB₃O shows great stability during the reaction over 200 h. This work provides a low-cost, efficient and environmentally friendly heterogeneous catalytic system for the continuous production of N-substituted pyrrolidinones.  相似文献