Small
·
2024
·
IF 13
Feiyu Li,Bocheng Xu,Zijie Lu,Jiafei Chen,Yike Fu,Jie Huang,Yizhen Wang,Xiang Li
Developing novel substances to synergize with nanozymes is a challenging yet indispensable task to enable the nanozyme-based therapeutics to tackle individual variations in tumor physicochemical properties. The advancement of machine learning (ML) has provided a useful tool to enhance the accuracy and efficiency in developing synergistic substances. In this study, ML models to mine low-cytotoxicity oncolytic peptides are applied. The filtering Pipeline is constructed using a traversal design and the Autogluon framework. Through the Pipeline, 37 novel peptides with high oncolytic activity against cancer cells and low cytotoxicity to normal cells are identified from a library of 25,740 sequences. Combining dataset testing with cytotoxicity experiments, an 80% accuracy rate is achieved, verifying the reliability of ML predictions. Peptide C2 is proven to possess membranolytic functions specifically for tumor cells as targeted by Pipeline. Then Peptide C2 with CoFe hollow hydroxide nanozyme (H-CF) to form the peptide/H-CF composite is integrated. The new composite exhibited acid-triggered membranolytic function and potent peroxidase-like (POD-like) activity, which induce ferroptosis to tumor cells and inhibits tumor growth. The study suggests that this novel ML-assisted design approach can offer an accurate and efficient paradigm for developing both oncolytic peptides and synergistic peptides for catalytic materials.
研究领域:
生物技术
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癌症研究
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纳米技术
·
机器学习
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药学
✓ 已验证
产品关联
DOI
PubMed
高影响因子
INORGANIC CHEMISTRY COMMUNICATIONS
·
2025
·
IF 5.4
Yisha Zheng,Huiqin Zhang,Qiuwen Huang,Yanhui Zhang,Xian Zhang,Wenlong Xiang
Tetracycline hydrochloride (TCH), as a representative antibiotic pollutant, poses significant environmental risks due to its persistence and ecotoxicity. Conventional degradation technologies are often hampered by inefficiency and high operational costs. To overcome these limitations, a simple sodium borohydride (NaBH 4 ) reduction method was employed to modify CoFe Prussian blue analogue (CoFe-PBA), significantly its intrinsic activity. Subsequently, low-level Cu loading (2 wt%) was introduced, further substantially boosting the degradation efficiency. Comprehensive characterization confirmed that this sequential modification optimizes the material structure and enhances the density of active sites. The optimized 2 %Cu/CoFe PBA catalyst efficiently activated peroxymonosulfate (PMS), achieving >96 % TCH removal within 30 min under optimal conditions. In addition, the 2 %Cu/CoFe PBA exhibited excellent stability across a broad pH range (5–11) and in complex anionic environments. Radical quenching experiments and mechanism analysis revealed that non-radical singlet oxygen ( 1 O 2 ) and sulfate radical (SO 4 · − ) pathways were the dominant contributors to TCH degradation, with superoxide radical (O 2 · − ) and hydroxyl radical (∙OH) playing comparatively minor roles. This high performance stems from synergistic Fe/Co/Cu interactions promoting efficient PMS activation. This work provides a facile, efficient modification strategy (NaBH 4 reduction and minimal Cu loading) for PBAs and clarifies the predominant reactive species responsible for high-performance antibiotic degradation.
研究领域:
环境科学
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催化
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材料科学
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化学工程
·
水处理
✓ 已验证
产品关联
DOI
高影响因子
Green Energy & Environment
·
2021
·
IF 8.207
Qiuyan Jin,Hao Cui,Chengxin Wang
The design of efficient and robust non-precious metal electrocatalysts towards oxygen evolution reaction (OER) is of great value for developing green energy technologies. The in-situ formed high-valence (oxy)hydroxides species during the reconstruction process of pre-catalysts are recognized as the real contributing sites for OER. However, pre-catalysts generally undergo a slow and inadequate self-reconstruction. Herein, we reported a PO 4 3− optimized CoFe-based OER catalysts with amorphous structure, which enables a fast and deep reconstruction during the OER process. The amorphous structure induced by ligands PO 4 3− is prone to evolution and further form active species for OER. The electron interaction between metal sites can be modulated by electron-rich PO 4 3− , which promotes generation of high active CoOOH. Simultaneously, the etching of PO 4 3− from the pre-catalysts during the catalytic process is in favor of accelerating the self-reconstruction. As a result, as-prepared pre-catalyst can generate high active CoOOH at a low potential of 1.4 V and achieve an in-depth reconstructed nanosheet structure with abundant OER active sites. Our work provides a promising design of pre-catalysts for realizing efficient catalysis of water oxidation.
研究领域:
材料科学
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电化学
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催化
·
能源材料
✓ 已验证
产品关联
DOI
高影响因子
APPLIED SURFACE SCIENCE
·
2022
·
IF 7.392
Xueying Wang,Haoshan Xu,Shuhong Huang,Xiaoxi Zeng,Ling Li,Xiaohui Zhao,Wenming Zhang
Herein, a novel MOF-derived trifunctional electrocatalyst with a three-dimensional hierarchical structure of N -doped carbon nanofibers (NCNFs) compounded with vertically grown nanosheets loaded with Co and CoFe alloy nanoparticles is reported. It is found that Co/CoFe NAs@NCNFs has a good half-wave potential of 0.83 V for ORR, the overpotential of 290 mV and 103 mV for OER and HER, respectively. When Co/CoFe NAs@NCNFs catalyst is employed on the cathode of a microbial fuel cell (MFC), the peak power density of the MFC can reach 2139.6 ± 43 mW m −2 , which is 1.56 times better than that of commercial Pt/C. Furthermore, the assembled MFCs can also successfully drive the water splitting. The above excellent performance is mainly due to the structure of the interwoven NCNF networks combined with nanosheets which greatly enhances the surface area and mass transfer capacity of the material, and the loaded nanoparticles are constructed into a large number of Fe-N x -C and Co-N x -C active sites, further increasing the catalytic performance of Co/CoFe NAs@NCNFs. This work could provide a novel approach to the regeneration and conversion of clean energy.
研究领域:
材料科学
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能源科学
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环境科学
✓ 已验证
产品关联
DOI
高影响因子
JOURNAL OF ALLOYS AND COMPOUNDS
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2023
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IF 6.2
Jun Liu,Zhou Peng Li,Bin Hong Liu
We report our facile and efficient approach for synthesizing Co-Fe alloy based oxygen reduction reaction (ORR) catalysts, in which alloy nanoparticles are encapsulated in nitrogen-doped carbon nanostructures . The catalysts with high hierarchical porosities are fabricated at an appropriate temperature of 775 °C without a further acid leaching treatment after pyrolysis due to the use of ZnO nanoparticles as auto-removable templates. Co/Fe atomic ratio is found to greatly influence the ORR catalytic activity. The catalyst with Co/Fe = 1 exhibits the best catalytic performance by showing an ORR onset potential of 0.99 V and a half-wave potential of 0.87 V (vs. RHE) in 0.1 M KOH, as well as 0.98 V and 0.83 V (vs. RHE) in 0.5 M H 2 SO 4 , better than or approaching the performance presented by a commercial 28.6 wt% Pt/C catalyst. The Zn-air battery using the synthesized CoFe@N-C catalyst delivers a higher power density at ambient conditions by air-breathing than the one using the 28.6 wt% Pt/C catalyst. Relatively higher atomic concentrations of both Fe and Co as well as more graphitic nitrogen in the surface of CoFe@N-C detected by X-ray photoelectron spectroscopy (XPS) may account for its excellent ORR catalytic activities both in alkaline and acidic environments.
研究领域:
材料科学
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电化学
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能源存储
✓ 已验证
产品关联
DOI
高影响因子
APPLIED SURFACE SCIENCE
·
2025
·
IF 6.9
Guanyu Qiao,Taotao Ai,Weiwei Bao,Jie Han,Zhifeng Deng,Peng Jiang,Xueling Wei,Xiangyu Zou
The global energy transition driving an urgent need for sustainable renewable energy technologies. Hydrogen’s role as a clean, high-efficiency energy vector stems from its ability to store large amounts of energy without generating carbon emissions, relies on water electrolysis technology for its efficient production. However, commercial noble metal catalysts (IrO 2 and RuO 2 ) have drawbacks such as high cost and poor stability, limiting their large-scale application. To address this, this study developed a hierarchical CoMoO 4 @CoFe-LDH heterostructure catalyst aimed at simultaneously optimizing oxygen evolution reaction (OER) and hydrogen evolution reaction (HER) performance to achieve efficient overall water splitting. A core–shell structure was constructed through a dual-stage synthesis procedure (hydrothermal growth of CoMoO 4 nanorod arrays followed by electrodeposition of CoFe-LDH nanosheets). In situ analysis revealed that Mo species dissolution during the OER process induces surface reconstruction, generating highly active Co(Fe)OOH species, significantly lowering the reaction energy barrier. Experimental results showed that the catalyst exhibited outstanding OER activity and HER activity. Additionally, the catalyst exhibits outstanding stability (OER continuous operation for 50 h without degradation) and achieves efficient Overall Water Splitting Performance (starting voltage 1.52 V at 10 mA/cm 2 ). Density functional theory (DFT) calculations further confirm the optimized electronic structure at the heterointerface.
研究领域:
材料科学
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电化学
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纳米催化
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能源化学
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表面科学
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计算材料学
✓ 已验证
产品关联
DOI
高影响因子
COLLOIDS AND SURFACES B-BIOINTERFACES
·
2019
·
IF 3.973
Wenning Yang,Jia Li,Mingyue Wang,Xiaofan Sun,Yong Liu,Jie Yang,Dickon H.L. Ng
A novel core-shell Fe 3 O 4 /CoFe-LDH (layered double hydroxides) hybrid as a peroxidase mimic for the colorimetric detection of ascorbic acid was first fabricated via a facile two-step route. The resulting Fe 3 O 4 /CoFe-LDH hybrid exhibited much higher peroxidase-like catalytic activity for the oxidation of 3,3′,5,5′- tetramethylbenzidine (TMB) with H 2 O 2 than the pristine Fe 3 O 4 and CoFe-LDH nanosheets owing to the unique hierarchical architecture containing more exposed active sites and the synergistic effect between Fe 3 O 4 and CoFe-LDH. A sensitively and selectively visual sensor for the determination of ascorbic acid (AA) was successfully constructed based on the reduction effect of AA with enediol group on the formed oxidation of TMB, which exhibited a sensitive response to AA in the range of 0.5 ∼ 10 μM with the detection limit of 0.2 μM. Additionally, the Fe 3 O 4 /CoFe-LDH magnetic hybrid could be easily recycled by applying a magnetic field. This work provided a feasible means for the fabrication of magnetic nanomaterials with encouraging prospect in biosensing, environmental monitoring and medical diagnostics.
研究领域:
材料科学
·
分析化学
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纳米技术
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生物传感器
✓ 已验证
产品关联
DOI
PubMed
高影响因子
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY
·
2023
·
IF 7.2
Yibin Yang,Di Gao,Yingqing Ou,Yang Yang,Peng Xiao,Yunhuai Zhang
Currently, developing highly active and low-cost electrocatalytic materials for oxygen evolution reaction (OER) is an enormously grand challenge. Herein, we developed a novel and highly active Mn doped Co 2 Fe layer double hydroxide (LDH) electrocatalyst for OER. We discovered that these electrocatalytic materials can be directly grown on carbon papers to construct high-specific-surface-area electrode, which shows the lowest overpotential of 266 mV at 10 mA cm −2 . Furthermore, after introducing Mn element, DFT + U calculation found that the ∗OOH of Fe-site on Co 2 Fe 0.67 Mn 0.33 LDH could draw more electrons than Co 2 Fe LDH due to the electronegativity differences between Fe-site on Co 2 Fe 0.67 Mn 0.33 LDH and Fe-site on Co 2 Fe LDH, which is reason that the energy level of Fe 3d (e g ) was obviously downshifted by d-d repulsion of Mn 3d and Fe 3d in the neighboring sites of Co 2 Fe 0.67 Mn 0.33 LDH after doped Mn element, which leads to reduce charge-transfer energy from O 2p to Fe 3d (e g ) to promote oxygen evolution processes for OER. Meanwhile, the band gap is also decreased after doped Mn element in Co 2 Fe LDH due to the downshifted e g orbital energy of Fe 3d. This study gives a general avenue to design and developing efficiently active LDH electrocatalysts for OER in the future.
研究领域:
材料科学
·
电化学
·
催化
·
能源材料
✓ 已验证
产品关联
DOI
高影响因子
Journal of Energy Storage
·
2024
·
IF 8.9
Jizhao Zou,Tao Liang,Minggui Peng,Peng Liu,Zhe Li,Jiaming Wen,Zhangjian Li,Yusheng Yan,Xin Yu,Xierong Zeng,Junfeng Huang
Integration of cations doping by using unpaired high-spin electrons through the valence state substitution is deemed as a prospective strategy for construction of oxygen vacancies, regulation of inner electronic structures and enhancement of surface properties. Herein, an effective strategy is proposed to construct massive oxygen vacancies into 2D nitrogen-doped carbon nanosheets by the design of heterogeneous interfaces between CoFe alloy and CoFe 2 O 4 nanoparticles. The valence state transition for Fe and Co endows electronic transfer capability and charge density around the oxygen atoms. The prepared CoFe-CoFe 2 O 4 @NCs-4 catalyst exhibits maximum content of oxygen vacancies (Density of O vac 50.1 %). It shows excellent ORR activity with a half-wave potential of 0.83 V and OER overpotential of 320 mV. Reversible Zn-air batteries assembled by the CoFe-CoFe 2 O 4 @NCs-4 catalysts exhibit a power density of 106.32 mW cm −2 and durable stability (500 h at the current density of 10 mA cm −2 ), which also are superior to those of the commercial 20 wt% Pt/C + RuO 2 catalyst. The excellent bifunctional catalytic performance can be attributed to synergistic effects between massive oxygen vacancies, ultrahigh specific surface area (545.9 m 2 g −1 ) and heterogeneous interfacial structure. This work provides valuable insight into designing efficient bifunctional oxygen electrocatalysts for rechargeable Zn-air batteries.
研究领域:
材料科学
·
电化学
·
能源存储
✓ 已验证
产品关联
DOI
高影响因子
ACS Applied Nano Materials
·
2024
·
IF 5.3
Mingchong Sui,Fangqing Wang,Caichi Liu,Qiuyan Hao,Ying Li,Hui Liu,Limin Liang
Cobalt–iron layered double hydroxide (CoFe LDH) is considered an advanced electrocatalyst toward the alkaline oxygen evolution reaction (OER), yet its poor stability is still a huge challenge. Here, based on an innovative spontaneous redox reaction (SRR) method, we synthesize a gold-nanoparticle-decorated CoFe LDH heterostructure on nickel foam (Au/CoFe LDH/NF) at room temperature. The heterostructure catalyst not only exhibits a low overpotential of 233 mV at 10 mA cm–2 but also displays 400 h stability without any degradation at ∼200 mA cm–2. The experimental and density functional theory (DFT) calculations validate that Au/CoFe LDH/NF with strong electronic coupling at the interface optimizes the electronic structure, reducing the OER energy barrier. In situ Raman spectra demonstrate that the transfer of electrons from Au nanoparticles to CoFe LDH alleviates the structural distortion of the catalyst during the OER, which is responsible for the strengthened stability.
研究领域:
材料科学
·
电化学
·
催化
✓ 已验证
产品关联
DOI
高影响因子
CHEMICAL ENGINEERING JOURNAL
·
2022
·
IF 16.744
Lin Zhang,Juanjuan Qi,Haiyang Zhang,Lei Xing,Zhanqi Zhou,Renchan Lei,Bo Li,Hui Liu,Lidong Wang
Dimethylamine (DMA), a widely used organic solvent and famous malodorous volatile organic compound (VOC), is easily released into the atmosphere and harms human health. Here, we designed a bifunctional CoFe/Mg mixed metal oxide (MMO) catalyst for activating peroxymonosulfate (PMS) to degrade aqueous DMA, thereby inhibiting DMA re-emission. The results indicated that the DMA (100 mg/L) degradation efficiency exceeded 90% within 80 min. Moreover, the re-emission of DMA into the atmospheric environment was reduced by 80% after catalysis. Electron paramagnetic resonance (EPR) measurements and quenching tests verified SO 4 •− and • OH as the active oxygen species in the CoFe/Mg MMO–PMS system. Combined characterization and density functional theory (DFT) calculation results confirmed that the Co species served as catalytic sites for PMS activation, and the adjacent Mg species acted as adsorption sites for DMA. The synergy effects between the dual sites could accelerate the PMS activation, facilitate the generation of free radicals, and shorten the migration distance between free radicals and pollutants, to realize the efficient DMA degradation. The degradation mechanism and suppressing re-emission process were proposed. This study will provide distinctive insights into the design of catalysts with dual sites and pioneer an unparalleled approach to the industrial governance of effluvial VOCs treatment.
研究领域:
环境科学
·
催化
·
化学工程
·
材料科学
✓ 已验证
产品关联
DOI
高影响因子
JOURNAL OF COLLOID AND INTERFACE SCIENCE
·
2025
·
IF 9.7
Bin Cui,Yunfeng Zhu,Chang Li,Wei Zhou,Mengran Li,Jiabao Bai,Yana Liu,Jiguang Zhang,Rui Shi,Jun Wang,Jian Yang
The development of cost-effective, highly-active, and stable oxygen reduction reaction (ORR) electrocatalysts is crucial for advancing fuel cells and metal-air batteries. Herein, we report a two-step thermal treatment strategy for successfully introducing heteroatoms and CoFe alloys onto Vulcan XC-72R to prepare efficient electrocatalysts. Among the synthesized electrocatalysts, the N, F co-doped catalyst (CoFe/NFC) demonstrates optimal ORR performance in alkaline medium. Notably, moderate heteroatom doping generates high specific surface area, large pore volumes, and optimal carbon defects, facilitating both active site accessibility and mass transport. Density functional theory calculations reveal that the N F synergistic effect enhances metal-support interaction and optimizes *OH adsorption energy. Attractively, aluminum-air batteries equipped with CoFe/NFC cathodes present outstanding performance: a peak power density of 187.9 mW/cm 2 , a large specific capacity of 586 mAh/g Al , and stable operation for 720 min at 50 mA/cm 2 . This study offers valuable insights into heteroatom doping strategies, which may facilitate the rational design of carbon-based electrocatalysts with enhanced catalytic performance.
研究领域:
材料科学
·
电化学
·
能量存储与转换
·
催化
·
纳米材料
✓ 已验证
产品关联
DOI
PubMed
高影响因子
危险品化学品经营许可证（带存储）