BIORESOURCE TECHNOLOGY
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2026
·
IF 8.2
Wei Gao,Mengli Li,Ming Miao,Tao Zhang
A library of 37 Nicα GP mutants was built by computational engineering. • L226Y/V437L/F751H showed 2.10 fold higher activity than WT Nicα GP. • The triple mutant improved thermostability and kinetics. • Cascade productivity increased by 26.5 % at a cellobiose/G4 ratio of 1:2. • Structural analysis linked activity gains to regulatory layer optimization. Converting non-food cellulosic sugars into programmable amylose offers a route to higher-value carbohydrate materials. α -Glucan phosphorylase ( α GP) controls glucose-1-phosphate (G-1-P)-dependent chain elongation in cellobiose-to-amylose cascades. Here, Nicotiana attenuata α GP ( Nicα GP) was engineered by integrating AlphaFold3-based structural modeling, ProteinMPNN, EVcouplings, structural priors, and DynaMut2 filtering. Of 916 candidate substitutions, 37 were selected for experimental validation, and combinatorial screening identified L226Y/V437L/F751H as the optimal triple mutant, with 2.10-fold higher relative activity than the same-batch wild-type (WT) control and clear positive epistasis. The mutant further shifted the optimal temperature from 40 to 45 °C, increased thermal transition midpoint from 56.2 to 58.8 °C, and enhanced catalytic efficiency toward both maltotetraose and G-1-P. In the Clostridium thermocellum cellobiose phosphorylase ( Ct CBP)– Nicα GP cascade, L226Y/V437L/F751H reached 38.86 ± 2.06 % conversion at 72 h versus the previously reported WT value of 35.84 ± 1.04 % at 84 h, increasing apparent productivity by 26.5 %. Docking, CAVER, and molecular dynamics (MD) analyses suggested that these gains may be associated with optimization of structural regions surrounding the conserved catalytic core. This work provides an engineered α GP for amylose synthesis from cellobiose and supports peripheral regulatory engineering as a practical strategy for improving phosphorylase-based biocatalytic cascades. Download: Download high-res image (230KB) Download: Download full-size image
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JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY
·
2025
·
IF 6.2
He Xu,Yanhao Hu,Mian Wei,Jiahao Wang,Enpei Zhang,Dechao Gu,Chengyu Liu,Jiajun Huang,Youmei Ma,Wei Yan,Jiahai Zhou,Yonghao Ye,He Bo
Dihydroxy acid dehydratase (DHAD) is a promising herbicide target, but no commercial DHAD inhibitors exist yet. The natural product aspterric acid (AA) has been shown to act on DHAD, inspiring us to discover novel cycloheptanone-pyrrole compounds (6aa-6ay) featuring α-hydroxycarboxylate fragments as potential DHAD-targeting herbicides. In Arabidopsis thaliana seed germination assays, most compounds demonstrated 100% inhibition at 200 μg/mL, comparable to that of the positive control penoxsulam. In greenhouse herbicidal activity tests, compound 6ag demonstrated over 85% control effectiveness against Eclipta prostrata, Amaranthus retroflexus, and Setaria viridis at a dosage of 150 g ai/ha, while also showing safety for rice. The binding model of 6ag with DHAD is similar to that of AA with DHAD, and the Kd value of 6ag binding to DHAD is 20 μM, indicating that 6ag acts with DHAD. With both herbicidal efficacy and crop safety, 6ag represents a promising novel lead compound for DHAD inhibitors.
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APPLIED SURFACE SCIENCE
·
2025
·
IF 6.9
Suhong Lu,Chengyu Xu,Shuo Wang,Yewei Chen,Zhongtao Jiang,Xinru Chen,Jurong Liu,Yuzhen Fang,Guilong Liu
Engineering oxygen vacancies in α-MnO 2 represents an effective strategy for generating active oxygen species to enhance catalytic performance in HCHO oxidation. In this study, rod-like α-MnO 2 was synthesized via an in situ redox reaction between potassium permanganate (KMnO 4 ) and methanol, followed by modulation of surface oxygen vacancies through the adjustment of H 2 O 2 etching time. Etching duration critically governed catalytic enhancement, with α-MnO 2 -E-2 (2 h etching) exhibiting exceptional activity, robust stability and complete HCHO conversion at 60 °C. Characterization revealed oxygen vacancies on the catalyst surface could be effectively regulated by modifying the H 2 O 2 etching time. Significantly, α-MnO 2 -E-2 demonstrated the highest (Mn 2+ + Mn 3+ )/Mn total ratio and lowest average oxidation state (AOS), directly correlating with maximized oxygen vacancy formation. The introduction of oxygen vacancies facilitated superior oxygen mobility and activation, thereby accelerating HCHO oxidation. In situ DRIFTS analysis further confirmed that only formate species were observed as intermediates on α-MnO 2 -E-2, demonstrating that H 2 O 2 etching simplified the reaction pathway to HCHO → HCOO − → H 2 O + CO 2 .
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COLLOIDS AND SURFACES B-BIOINTERFACES
·
2015
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IF 4.152
Tao Feng,Bin Pi,Bin Li,Lei Jiang,Yi-Meng Wang,Xue-Song Zhu,Hui-Lin Yang
Calcium phosphate cements (CPCs) are popular bone filling materials and drug carriers. However poor mechanical properties and lack of osteoinduction restrict their clinical applications. Recent studies suggested the osteogenic properties of NAC. In our study, we incorporated NAC with α-TCP/SF. We found that the compressive strength of α-TCP/SF-NAC composites increased with increase in NAC concentration, possibly due to complex three-dimensional networks of SF induced by NAC, which was large and chemically heterogeneous and induced compact oriented growth of HA crystals. However the setting time increased slightly with the addition of NAC, due to the ruptured disulfide bonds in SF. The α-TCP/SF-NAC composites also showed decent biocompatibility in vitro. As a result, these composites hold great potential as bone filling materials for clinical applications, including minimally invasive surgeries.
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Nanomaterials
·
2023
·Vol. 13
·期 4
·775
·
IF 5.3
Hong Su,Jiangping Liu,Yanan Hu,Tianhao Ai,Chenhao Gong,Jichang Lu,Yongming Luo
As a representative sulfur-containing volatile organic compounds (S-VOCs), CH3SH has attracted widespread attention due to its adverse environmental and health risks. The performance of Mn-based catalysts and the effect of their crystal structure on the CH3SH catalytic reaction have yet to be systematically investigated. In this paper, two different crystalline phases of tunneled MnO2(α-MnO2and β-MnO2) with the similar nanorod morphology were used to remove CH3SH, and their physicochemical properties were comprehensively studied using high-resolution transmission electron microscope (HRTEM) and electron paramagnetic resonance (EPR), H2-TPR, O2-TPD, Raman, and X-ray photoelectron spectroscopy (XPS) analysis. For the first time, we report that the specific reaction rate for α-MnO2(0.029 mol g−1h−1) was approximately 4.1 times higher than that of β-MnO2(0.007 mol g−1h−1). The as-synthesized α-MnO2exhibited higher CH3SH catalytic activity towards CH3SH than that of β-MnO2, which can be ascribed to the additional oxygen vacancies, stronger surface oxygen migration ability, and better redox properties from α-MnO2. The oxygen vacancies on the catalyst surface provided the main active sites for the chemisorption of CH3SH, and the subsequent electron transfer led to the decomposition of CH3SH. The lattice oxygen on catalysts could be released during the reaction and thus participated in the further oxidation of sulfur-containing species. CH3SSCH3, S0, SO32−, and SO42−were identified as the main products of CH3SH conversion. This work offers a new understanding of the interface interaction mechanism between Mn-based catalysts and S-VOCs.Keywords:CH3SH decomposition;MnO2;oxygen vacancies;oxygen migration
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Natural Products and Bioprospecting
·
2023
·Vol. 13
·期 1
·1-9
·
IF 4.7
Wen Luan,Wu Zhou-Wei,Lin Li-Wu,Al-Romaima Abdulbaset,Peng Xing-Rong,Qiu Ming-Hua
Four polysaccharides (MCPa, MCPb, MCPc, MCPd) were obtained from Lepidium meyenii Walp. Their structures were characterized by chemical and instrumental methods including total sugar, uronic acid and protein content determination, UV, IR and NMR spectroscopy, as well as monosaccharide composition determination and methylation analyses. Four polysaccharides were a group of glucans with different molecular weights ranging from 3.12 to 14.4 kDa, and shared a similar backbone chain consisting of (1→4)-glucose linkages with branches attached to C-3 and C-6. Furthermore, bioactivity assay showed that MCPs had concentration-dependent inhibitory activity on α -glucosidase. MCPb (Mw = 10.1 kDa) and MCPc (Mw = 5.62 kDa) with moderate molecular weights exhibited higher inhibitory activity compared with MCPa and MCPd. Graphical Abstract
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FOOD CHEMISTRY
·
2023
·
IF 8.8
Bin Liu,Caroline Thum,Qimeng Wang,Chunsong Feng,Ting Li,Francesca Damiani Victorelli,Xing Li,Ruxin Chang,Shanan Chen,Yifu Gong,Yuan Li
Nanocarriers can improve the dispersibility of hydrophobic bioactive compounds and potentially improve the texture of liquid food formulations. Here, nanotubes (NTs) with a high aspect ratio formed by self-assembly of peptides partially hydrolyzed from α-lactalbumin (α-lac) were used to deliver soy isoflavones (IFs) and modify soy milk texture. IFs encapsulated by nanotube (NT/IFs) via hydrophobic interactions, which had improved dispersibility, with a maximum loading efficiency of 4%. The rheological characterization showed that the nanotubes enhanced the viscoelastic property and long term-stability of soy milk. About 80% of the NT/IFs in soy milk survived simulated in in vitro gastric digestion promoting the release of IFs in the intestinal phase. Overall, this work demonstrated that α-lac nanotubes may be a multi-functional carrier system for hydrophobic compounds providing beneficial changes to functional food texture.
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DIAMOND AND RELATED MATERIALS
·
2023
·
IF 4.1
Hui Zhao,Feifei Nie,Shuhui Liu,Yuanhao Li,Kezhong Wu,Mingxing Wu
Molybdenum-based carbides , as one of the representatives of transition metal compounds, are a promising alternative to the expensive and resource constrained Pt-based counter electrode (CE) in dye-sensitized solar cells (DSSCs). Herein, a series of hierarchical α-MoC 1- x @N-doped carbon (MDNC) composites are transformed from the step-by-step pyrolysis of uniformly Mo-based compounds and dopamine precursors at the temperatures of 650, 750, 850, and 950 °C under N 2 atmosphere, respectively. The MDNC precursors were synthesized by a simple one-step self-polymerization in a water-in-oil system. And then, the obtained MDNC nanocrystalline composites can accelerate electron conduction and improve the electrocatalytic property of the tri-iodide reduction reaction (IRR) owing to the C carrier obtained through the pyrolysis process and the N-doped of α-MoC 1- x by the carbonization of dopamine and the high temperature nitrogen atmosphere. In addition, the distinct hierarchical structure of MDNC with well-developed porosity and high specific surface area can expose numerous active catalytic sites. The DSSCs using the MDNC series as CEs for I 3 − /I − exhibit power conversion efficiencies (PCE) of 5.99 %, 6.35 %, 6.57 % and 5.57 %, respectively, which were versus 5.83 % of Pt CE.
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JOURNAL OF COORDINATION CHEMISTRY
·
2023
·
IF 1.9
Yanbing Yin,Yang Liu,Zhou Wang,Yongming Feng,Bei Jiang
A ternary composite α-DMACoPc/UiO-66-NH2/TiO2 was synthesized by solvothermal method and characterized by X-ray powder diffraction (XRD), X-ray photoelectron spectroscopy (XPS), Fourier transform infrared (FT-IR), scanning electron microscopy (SEM) and other means. The composite catalyst was applied to decompose methylene blue dye in visible light, and the degradation rate reached 93.4%. Compared with the monomer, the composite significantly enhanced the efficiency of the catalytic degradation due to the synergistic effect between composites. The transport speed of charge is accelerated and the recombination of hole-electron pairs is inhibited due to the larger specific surface area. A feasible scheme was provided for preparation of composite catalyst and photocatalytic degradation of dye.
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CHEMICAL ENGINEERING SCIENCE
·
2023
·
IF 4.7
Mingzu Liu,Xiuxiu Zhao,Zefeng Ma,Bing Yuan,Fengli Yu,Congxia Xie,Shitao Yu
As a naturally rigid polycyclic biomass platform compound without oxygen, α-pinene has always been expected to develop high-energy–density fuel with both good combustion performance and cryogenic properties by increasing carbon number in a high atom economical way. The present work has explored the screening of alkylation blocks for α-pinene over H 3 PW 12 O 40 (HPW). Here, a novel pinene-based blended fuel was prepared through cross-alkylation of α-pinene with mixed isobutane/isobutene, the common low-cost feedstock of alkylated gasoline. The reaction conditions including feed composition, reaction time, catalyst dosage, and reaction temperature were optimized. The mechanism of the hybrid alkylation process was further computationally speculated and experimentally verified. Produced liquid hydrocarbon products after hydrogenation and vacuum distillation possessed higher net heat of combustion and flash point than those of pinane, and lower freezing point and viscosity than those of dimers fuel from pinene. These favorable performances indicate that alkylated pinanes have promising potential as high-energy aviation fuel.
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JOURNAL OF ALLOYS AND COMPOUNDS
·
2023
·
IF 6.2
Weixue Yang,Jiaqi Zhao,Zhen Li,Jiayu Xin,Fei Li,Yu Wang
Introducing light energy into the charging/discharging process is an effective strategy to reduce the overpotential of Li−O 2 battery, which leads that the battery has higher energy conversion efficiency and better battery performance. However, the development has been hampered by the lack of suitable photocatalysts and cathode structure to accommodate the insoluble Li 2 O 2 . In order to overcome the aforementioned difficulties, a bifunctional photocatalyst α-Fe 2 O 3 /SnO 2 (FS) heterojunction was designed as the cathode to improve the charging/discharging overpotentials simultaneously. The photogenerated electrons and holes from FS participated in the oxygen reduction reaction (ORR) and oxygen revolution reaction (OER) under illumination, giving rise to an ultra-low charging/discharging overpotential of 0.01 V (energy efficiency up to 99.7%), which improved the electrochemical reaction kinetics of the Li−O 2 battery strikingly. In addition, the FS cathode exhibited excellent cycle stability under light (the battery energy efficiency can still maintain 80% after 252 cycles). The bifunctional catalyst designed in this paper has profoundly proved that the band engineering strategy can effectively utilize solar energy and provide important insights for understanding the mechanism of photo-assisted Li−O 2 battery.
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JOURNAL OF HAZARDOUS MATERIALS
·
2023
·
IF 13.6
Boying Liu,Junyan Wei,Shengnan Zhang,Asam Shad,Xiaosheng Tang,Ahmed A. Allam,Zunyao Wang,Ruijuan Qu
In this study, the catalytic performance of α-Fe 2 O 3 nanoparticles (nα-Fe 2 O 3 ) in the low-dose ferrate (Fe(VI)) system was systematically studied through the degradation of pentachlorophenol (PCP). Based on the established quadratic functions between nα-Fe 2 O 3 amount and observed pseudo first-order rate constant ( k obs ), two linear correlation equations were offered to predict the optimum catalyst dosage and the maximum k obs at an applied Fe(VI) amount. Moreover, characterization and cycling experiments showed that nα-Fe 2 O 3 has good stability and recyclability . According to the results of reactive species identification and quenching experiment and galvanic oxidation process , the catalytic mechanism was proposed that Fe(III) on the surface of nα-Fe 2 O 3 may react with Fe(VI) to enhance the generation of highly reactive Fe(IV)/Fe(V) species, which rapidly extracted a single electron from PCP molecule for its further reaction. Besides, two possible PCP degradation pathways, i.e., single oxygen transfer mediated hydroxylation and single electron transfer initiated polymerization were proposed. The formation of coupling products that are prone to precipition and separation was largely improved. This study proved that nα-Fe 2 O 3 can effectively catalyze PCP removal at low-dose Fe(VI), which provides some support for the application of Fe(VI) oxidation technology in water treatment in the context of low-carbon emissions.
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