KOREAN JOURNAL OF CHEMICAL ENGINEERING
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2024
·Vol. 41
·期 7
·2017-2027
·
IF 2.9
Zhang Xin,Xu Songling,Shan Shufeng,Zeng Xingye,Zhou Rujin
Four different samples of pure scheelite α-Bi 2 Mo 3 O 12 were synthesized by the fast microwave-assisted hydrothermal method. By adjusting the pH in the preparation process, the morphologies and structures of the synthesized catalysts were changed. TG, XRD, SEM, TEM, BET, and XPS analyses were used to investigate the characteristics of the catalyst. The sample of α-Bi 2 Mo 3 O 12 was prepared at a calcination temperature of 500 °C and pH = 1 had the highest specific surface area propylene selective oxidation properties. The conversion of propylene was 28.3% and the selectivity of acrolein was 86.4%. Compared with α-Bi 2 Mo 3 O 12 prepared by co-precipitation and normal hydrothermal method, α-Bi 2 Mo 3 O 12 prepared by microwave hydrothermal method has higher propylene oxidizing activity. The conversion of propylene is negatively correlated with the crystallinity of the catalyst. This is due to the fact that higher crystallinity inhibits the lattice oxygen flow between the lattices, thus inhibiting the selective oxidation and reducing the conversion of the reaction. The oxygen mobility of α-Bi 2 Mo 3 O 12 samples was characterized by XPS. The results showed that the conversion of propylene of α-Bi 2 Mo 3 O 12 were positively correlated with its oxygen mobility strength. A probable mechanism for the selective oxidation of propylene was proposed. This work not only offers a high-efficiency method for the rapid preparation of bismuth molybdate catalysts but also extends the application of microwave-assisted hydrothermal synthesis in the field of selective oxidation of propylene.
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Journal of Water Process Engineering
·
2024
·
IF 6.3
Jingmin Yan,Zhengchen Li,Licheng Ma,Peiwei Han,Wenkai Zhao,Shufeng Ye
In this study, a highly efficient CuO/α-MnO 2 bimetallic catalyst was synthesized by hydrothermal and calcination methods and employed as a peroxydisulfate (PDS) activator for the degradation of thiocyanate (SCN − ) in aqueous phase. The effect of calcination temperature on the catalytic performance of CuO/α-MnO 2 and the mechanism of the CM350/PDS system were studied. Under optimal conditions, almost 100 % of SCN − (100 mg/L) was degraded within 90 min. XRD , XPS , Raman, and H 2 -TPR analyses revealed that the catalytic performance was enhanced in the CM350 catalyst due to the formation of M-O-Cu + -like structures (M = Mn 3+ , Mn 4+ , Cu 2+ ) through the combination of α-MnO 2 with CuO . The structures exhibit excellent redox ability and facilitate electron transfer between Cu and Mn elements, thereby improving the activation effect of PDS. Besides, the Cu 1.5 Mn 1.5 O 4 generated from the high calcination temperature was not conducive to the SCN − degradation reaction. Moreover, the mechanism study indicated that SO 4 ·- , ·OH, and the electron transfer pathway mainly accounted for the SCN − degradation. This study provides some guidance for the synthesis of PDS activation materials and the treatment of industrial wastewater by an advanced oxidation process .
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BIOMATERIALS
·
2018
·
IF 8.806
Chong Zhang,Jingsong Yuan,Jianhua Lu,Yingqin Hou,Wei Xiong,Hua Lu
s The development of high-performance nonfouling polymer surfaces for implantable medical devices and therapeutic nanomaterials is of great importance. Elaborating the relationship of polymer structural characteristics and the resulted surface properties can offer useful guidance toward ideal biointerfaces . In this work, we investigate the effects of the helical conformation and anchoring orientation of poly(α-amino acid)s (PαAAs) to produce advanced nonfouling surfaces. By using the neutral poly(γ-(2-(2-(2-methoxyethoxy)ethoxy)ethoxy)esteryl glutamates) (P(EG 3 Glu)s) as a model system, the adsorption kinetics are monitored by ex-situ variable angle spectroscopic ellipsometry and in-situ quartz crystal microbalance with dissipation . It is found that the polymers adopting a rigid rod-like α-helical conformation can self-assemble more rapidly to produce denser adlayers, and generate significantly improved nonfouling surfaces compared to those flexible polymer analogues including the widely used antifouling polymer PEG . Moreover, the surface properties can be further enhanced by using the antiparallel orientated helical P(EG 3 Glu)s. Most importantly, the insights gained from the P(EG 3 Glu) model system are successfully applied to the generation of ultra-low-fouling surfaces using zwitterionic PαAAs brushes, underscoring the generality of the approach. Particularly, the surface based on the antiparallel aligned zwitterionic helical PαAAs exhibits ∼98–99% reduction of human serum adsorption relative to the bare gold, and gives almost no adhesion of mouse platelet. Taken together, this work depicts an extremely simple yet highly effective approach to manipulate surface properties for numerous applications in biomaterial interfaces, diagnostics, and biosensors.
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JOURNAL OF ENZYME INHIBITION AND MEDICINAL CHEMISTRY
·
2018
·
IF 3.638
Songsong Zhang,Beibei Qiu,Jinhua Zhu,Weiping Hu,Fanyi Ma,M. Z. H. Khan,Xiuhua Liu
Present study aimed to immobilise the α-glucosidase on suitable supports to construct enzymatic microreactors and their subsequent applicability in efficient inhibitor screening from the Chinese Yam (Dioscorea opposita Thunb.) peel. A type of lamellar and porous composites (rGO@Fe3O4) were synthesised with a facile one-step solvothermal method and employed as carriers to construct enzymatic microreactors for screening α-glucosidase ligand from the Chinese Yam peel in league with the high performance liquid chromatography and mass spectrometry (HPLC-MS). The immobilisation amount of α-glucosidase on rGO@Fe3O4 under the optimised conditions was about 40 μg α-glucosidase/mg carriers. Furthermore, the binding capacities of screened inhibitors, 2,4-dimethoxy-6,7-dihydroxyphenanthrene and batatasin I, were 35.6 and 68.2%, respectively. Hence, considering their high screening efficiency and excellent magnetic separation ability, these as-prepared nanocomposite consisting of rGO and Fe3O4 may be potential supports for the enzyme (such as α-glucosidase) immobilisation for rapid α-glucosidase inhibitors screening from the diverse nature resources.
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Journal of Chemical Information and Modeling
·
2025
·
IF 5.3
Binbin Chen,Jiahui Huang,Yingchun Liu,Lirong Yang,Qi Wang,Haoran Yu
The catalytic mechanism of a pyridoxal 5′-phosphate (PLP)-dependent UstD was herein studied in atomic detail, employing the computational hybrid QM/MM methodology. UstD is a PLP-dependent enzyme that catalyzes the decarboxylative aldol reactions between l-aspartate and aldehyde or ketone derivatives to form γ-hydroxy-α-amino acids. In the reaction catalyzed by UstD, the loss of CO2 renders the C–C bond-forming reaction effectively irreversible, which makes UstD a special case among the enzymes catalyzing the C–C bond-forming reactions. This enzyme is currently seen as the optimal approach for the regioselective synthesis of γ-hydroxy-α-amino acids, which are very difficult to obtain by standard chemical methods. The results obtained herein showed that the catalytic mechanism of UstD might follow two paths to occur in three phases: (1) decarboxylation of substrate l-aspartate, (2) C–C bond formation by addition of aldehyde, and (3) the regeneration of catalytic sites. Although Path A and Path B showed a negligible difference in the energy barrier of the rate-determining step, Path A involves three additional steps in the overall pathway compared with Path B, which makes the reaction proceed more readily through Path B. According to the QM/MM energy profile of Path B, the rate-limiting step of the catalytic process is the decarboxylation of the side chain of l-aspartate, which has a calculated energy barrier of 19.19 kcal/mol. Two crucial residues, H263 and Y257, were identified to interact with the substrate aspartic acid. The knowledge about the transition states, intermediates, key residues, and protein conformational changes along the reaction path will be valuable for engineering UstD to improve the synthesis of γ-hydroxy-α-amino acids that serve as building blocks of various high-value chemicals such as antidiabetics and nutritional supplements.
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INORGANIC CHEMISTRY
·
2025
·
IF 4.7
Yunjie Bai,Cheng Chen,Mingye Han,Bingbing Zhang,Ying Wang
Borate materials possess diverse crystal structures and exhibit outstanding physical properties, making them highly suitable for optical applications. In this work, two new compounds, α-BaGdBO3F2 and β-BaGdBO3F2, were synthesized by the high-temperature solid solution method and a temperature-controlled phase transition from α-BaGdBO3F2 to β-BaGdBO3F2 was observed. In the crystal structures of α-BaGdBO3F2 and β-BaGdBO3F2, the [BO3] basic building unit and the [GdO6F2] polyhedra are interconnected to form a complex three-dimensional network. The title compounds exhibit good thermal stability, a short ultraviolet cutoff of 274 nm, and a moderately large birefringence (0.072 and 0.059@ 546 nm). The DFT calculations also reveal that β-BaGdBO3F2 could be a potential nonlinear optical (NLO) material. The results indicate that α-BaGdBO3F2 and β-BaGdBO3F2 are promising candidates for UV birefringent and NLO crystal materials.
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INDUSTRIAL CROPS AND PRODUCTS
·
2025
·
IF 6.2
Weihang Lu,Tao Chen,Cheng Shen,Hailun Feng,Changdong Lin,Zhibo Song,Shuo Wang,Juyuan Luo,Yulin Li
The recycling of waste from perennial medicinal crops can enhance economic benefits and promote sustainable development. Aim to develop efficient strategies for isolating α-glucosidase inhibitors from R. tanguticum waste and elucidate their molecular interactions mechanism. An off-line two-dimensional high-speed counter-current chromatography (HSCCC), combined with a multi-separation mode and assisted by liquid chromatograph coupled with mass spectrometer for solvent system optimization, was employed for the rapid and efficient isolation of bioactive compounds. Preparative high performance liquid chromatography (HPLC) was subsequently employed to purify partially isolated fractions. The molecular interaction mechanisms were investigated through various spectroscopic techniques, molecular docking, and molecular dynamics simulations. A novel methylene-bridged flavonoid dimer (rheumbisflavonoid A), along with six flavonoids and a binary mixture, were successfully isolated using first-dimensional HSCCC coupled with a dual-mode elution and preparative HPLC. The binary isomeric mixture was efficiently separated in the second-dimensional HSCCC using a multiple-injection mode. Rheumbisflavonoid A demonstrated stronger α-glucosidase inhibitory activity by binding to the enzyme's active site, forming a stable complex through van der Waals interactions and hydrogen bonding. Furthermore, it altered the microenvironment of critical amino acid residues (tyrosine, tryptophan) and the peptide backbone, resulting in protein’s fluorescence quenching. Notably, the compound significantly decreased the α-helix content of the protein, leading to enzyme inactivation. This study presents a promising approach for developing hypoglycemic products from the waste resources of R. tanguticum .
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Communications Chemistry
·
2024
·Vol. 7
·期 1
·1-15
·
IF 5.9
Jiang Jianbing,Czuchry Diana,Ru Yanxia,Peng Huipai,Shen Junfeng,Wang Teng,Zhao Wenjuan,Chen Weihua,Sui Sen-Fang,Li Yaowang,Li Nan
The gut microbiota offers an extensive resource of enzymes, but many remain uncharacterized. To distinguish the activities of similar annotated proteins and mine the potentially applicable ones in the microbiome, we applied an effective Activity-Based Metaproteomics (ABMP) strategy using a specific activity-based probe (ABP) to screen the entire gut microbiome for directly discovering active enzymes and their potential applications, not for exploring host-microbiome interactions. By using an activity-based cyclophellitol aziridine probe specific to α-galactosidases (AGAL), we successfully identified and characterized several gut microbiota enzymes possessing AGAL activities. Cryo-electron microscopy analysis of a newly characterized enzyme (AGLA5) revealed the covalent binding conformations between the AGAL5 active site and the cyclophellitol aziridine ABP, which could provide insights into the enzyme’s catalytic mechanism. The four newly characterized AGALs have diverse potential activities, including raffinose family oligosaccharides (RFOs) hydrolysis and enzymatic blood group transformation. Collectively, we present a ABMP platform that facilitates gut microbiota AGALs discovery, biochemical activity annotations and potential industrial or biopharmaceutical applications.
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INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES
·
2024
·
IF 7.7
Shuang Guo,Shuo Liu,Chang Liu,Yi Wang,Dongyu Gu,Jing Tian,Yi Yang
Immobilization technology plays an important role in enhancing enzyme stability and environmental adaptability. Despite its rapid development, this technology still encounters many challenges such as enzyme leakage, difficulties in large-scale implementation, and limited reusability. Drawing inspiration from natural paired molecules, this study aimed to establish a method for immobilized α-glucosidase using artificial antibody-antigen interaction. The proposed method consists of three main parts: synthesis of artificial antibodies, synthesis of artificial antigens, and assembly of the artificial antibody-antigen complex. The critical step in this method involves selecting a pair of structurally similar compounds: catechol as a template for preparing artificial antibodies and protocatechualdehyde for modifying the enzyme to create the artificial antigens. By utilizing the same functional groups in these compounds, specific recognition of the antigen by the artificial antibody can be achieved, thereby immobilizing the enzymes. The results demonstrated that the immobilization amount, specific activity, and enzyme activity of the immobilized α-glucosidase were 25.09 ± 0.10 mg/g, 5.71 ± 0.17 U/mg protein and 143.25 ± 1.71 U/g carrier , respectively. The immobilized α-glucosidase not only exhibited excellent reusability but also demonstrated remarkable performance in catalyzing the hydrolysis of 4-methylumbelliferyl-α-D-glucopyranoside.
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JOURNAL OF MATERIALS CHEMISTRY
·
2011
·Vol. 21
·期 38
·15009-15014
·
IF 5.101
Jiangbo Hu,Anas Ramadan,Fang Luo,Bin Qi,Xiaojiao Deng,Ji Chen
We introduce an easy and scalable approach to synthesize α-MoO3-decorated graphene sheets from a graphite electrode by molybdate-assisted electrochemical exfoliation. The samples were examined by transmission electron microscopy (TEM), X-ray photoelectron spectroscopy (XPS), Fourier transformation infrared spectroscopy (FT-IR), Raman spectroscopy, X-ray diffraction and thermogravimetric analysis. TEM analysis shows that the exfoliated material consists of mainly a few-layers of graphene and the results of XPS, FT-IR and Raman confirmed the presence of α-MoO3 on the graphene sheets. Moreover, XPS spectra indicate that the content of surface oxygen groups on the graphene sheets is lower than that on graphite oxide. After being heat-treated at low-temperature (200 °C), samples exhibited high conductivity (up to 5367 S m−1) and good specific capacitance (up to 86.3 F g−1) when tested as electrode materials in a supercapacitor.
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ChemSusChem
·
2024
·
IF 7.5
Jie Yu,Manye Liu,Bo Wang,Chenxu Liang,Xuyi Wang,Kai Wang,Quanfang Lu
Graphical Flower-like α -MnO 2 nanospheres with assembled by dozens of nanosheets were fabricated using KMnO 4 as precursor via anode glow discharge electrolysis (AGDE), and then employed as a positive electrode material of supercapacitor to successfully light the light-emitting diode (LED). A novel green synthesis strategy–anode glow discharge electrolysis (AGDE) was employed for one-step preparation of α -MnO 2 in 2 g L −1 KMnO 4 solution, in which Pt needle and carbon rod were regarded as anode and cathode, respectively. The optimal preparation condition is 400 V for 60 min and the power consumption is below 45 W. The XRD, Raman spectra, XPS and EPR proved that α -MnO 2 with structural defects (oxygen vacancies) is obtained. SEM and TEM revealed that α -MnO 2 shows a flower-like nanospheres with a diameter of 165 nm, which is assembled by many nanosheets. A possible formation mechanism is that the MnO 2 is generated via the reduction of MnO 4 − by H⋅ and e aq − in plasma-liquid interface. Electrochemical test found that MnO 2 nanospheres exhibit a specific capacitance of 365 F g −1 at 1 A g −1 , and capacity retention of 79.8 % after 10,000 cycles at 5 A g −1 . The assembled asymmetric supercapacitor shows the maximum energy density of 23.1 Wh kg −1 at power density of 1.89 kW kg −1 . In brief, AGDE is a simple, facile and green technique for the synthesis of α-MnO 2 without adding extra chemicals, and prepared α -MnO 2 can be considered as an excellent candidate of electrode materials for supercapacitor.
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JOURNAL OF CHEMICAL THERMODYNAMICS
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2012
·
IF 2.422
Yao Chen,Hui Wang,Yanyan Tang,Jun Zeng
Ternary (liquid + liquid) equilibria date for the (water + 2-propanol + α -pinene, or β -pinene) systems were measured at T = (293.15, 298.15, 303.15, and 308.15) K under atmospheric pressure. The experimental results were correlated using the extended and modified UNIQUAC models. The calculated results obtained from the modified UNIQUAC model successfully represent the experimental tie-line data. The temperature influence on liquid-phase equilibria was studied.
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危险品化学品经营许可证（带存储）