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Reconstructed anti-corrosive and active surface on hierarchically porous carbonized wood for efficient overall seawater electrolysis

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Science Bulletin 2024年第15期69卷 2337-2341页

作者： Zhijie Chen Wenfei Wei Xiaomin Xu Xiaosong Gu Changzhu Huang Wei Wei Zongping Shao Bing-Jie Ni Hong Chen Guangdong Provincial Key Laboratory of Soil and Groundwater Pollution Control SUSTech Energy Institute for Carbon NeutralitySchool of Environmental Science and EngineeringSouthern University of Science and TechnologyShenzhen 518055China UNSW Water Research Centre School of Civil and Environmental EngineeringThe University of New South WalesSydney 2052Australia Key Laboratory of Comprehensive and Highly Efficient Utilization of Salt Lake Resources Qinghai Institute of Salt LakesChinese Academy of SciencesXining 810008China WA School of Mines:Minerals Energy and Chemical EngineeringCurtin UniversityPerth 6845Australia Eastern Institute for Advanced Study Eastern Institute of TechnologyNingbo 315200China Centre for Technology in Water and Wastewater School of Civil and Environmental EngineeringUniversity of Technology SydneySydney 2007Australia

Seawater electrolysis for sustainable hydrogen fuel production emerges as an auspicious practice to decarbonize the global energy sector [1]. However, direct seawater electrolysis is severely challenged by the corrosion of anodes by chloride ions, the unwanted chloride oxidation reaction (Cl OR), and the low activity and high cost of catalysts [2].

关键词： corrosion seawater carbon

Physiological and Omics Identification of a Rice Germplasm with High Cadmium Uptake and Translocation

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SSRN 2022年

作者： Zhang, Zhenhua Luo, Jin-Song Guo, Bao He, Yiqi Chun-Zhu, Chen Yang, Yong College of Resources and Environmental Sciences Hunan Agricultural University Changsha410128 China Hunan Provincial Key Laboratory of Farmland Pollution Control and Agricultural Resources Use Hunan Provincial Key Laboratory of Nutrition in Common University National Engineering Laboratory on Soil and Fertilizer Resources Efficient Utilization Changsha410128 China 3D Medicines Block A Building 2 No.158 Xinjunhuan Road Pujiang Town Minhang District Shanghai201210 China

The safe production of food on Cd-polluted land is an urgent problem to be solved in South China. At present, many rice germplasms with low Cd content have been identified and several key genes regulating Cd accumulation have been cloned, providing a theoretical basis for the molecular breeding of low-Cd rice grains. Here, we identified a wild rice variety, YSD, with high Cd accumulation in its roots and shoots. The Cd content in the grains and stalks were 4.1 and 2.8 times those of ZH11, respectively. The Cd accumulation in the shoots and roots of YSD at the seedling stage was higher than that of ZH11, dependent on timing, and the long-distance transport of Cd in the xylem sap was high. Subcellular component analysis showed that, in the shoots, the cell wall, organelle, and soluble fractions of YSD showed higher Cd accumulation than ZH11, while in the roots, only the cell wall pectin showed higher Cd accumulation. Genome-wide resequencing revealed mutations in 22 genes involved in cell wall modification, synthesis, and metabolic pathways. Transcriptome analysis showed that the expression of pectin methylesterase genes was up-regulated and the expression of pectin methylesterase inhibitor genes was down-regulated in YSD roots, but there were no significant changes in the genes related to Cd uptake, translocation, or vacuole sequestration. The yield and tiller number per plant did not differ significantly between YSD and ZH11, but the dry weight and plant height of YSD were significantly higher than those of ZH11. YSD provides an excellent germplasm for the exploration of Cd accumulation genes, and the cell wall modification genes with sequence and expression-level variations provide potential targets for phytoremediation. © 2022, The Authors. All rights reserved.

关键词： Genes

Uptake of polycyclic aromatic hydrocarbons (PAHs) from PAH–contaminated soils to carrots and Chinese cabbages under the greenhouse and field conditions

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Chemosphere 2024年 360卷 142405页

作者： Cao, Chun Wu, Yu-Yao Lv, Zhen-Ying Wang, Ji-Wei Wang, Chen-Wen Zhang, Hui Wang, Jun-Jian Chen, Huan College of Geography and Environmental Science Northwest Normal University Gansu Lanzhou730070 China Key Laboratory of Resource Environment and Sustainable Development of Oasis Gansu Lanzhou730070 China Northwest Institute of Eco-Environment and Resources Chinese Academy of Sciences Lanzhou730000 China University of Chinese Academy of Sciences Beijing100049 China College of Resources and Environment Chengdu University of Information Technology Chengdu610225 China Guangdong Provincial Key Laboratory of Soil and Groundwater Pollution Control School of Environmental Science and Engineering Southern University of Science and Technology Shenzhen518055 China State Environmental Protection Key Laboratory of Integrated Surface Water-Groundwater Pollution Control School of Environmental Science and Engineering Southern University of Science and Technology Shenzhen518055 China Department of Environmental Engineering and Earth Science Clemson University SC29634 United States

Polycyclic aromatic hydrocarbons (PAHs) with the properties of structural stability, semi–volatility, and hydrophobicity are toxic and persistent in environments;thus, their transport and fate in agroecosystems is essential for reducing PAH accumulation in the edible parts of crops. Here, we cultivated cabbages (Brassica pekinensis L.) and carrots (Daucus carota L.) in PAH–contaminated soils under the greenhouse and field conditions. After harvesting, we observed a 9.5–46% reduction in soil ∑PAH concentrations. There were 37% of bioconcentration factors (BCFbs) > 1 and 93% of translocation factors (TFab) > 1, while low–molecular–weight (LMW) PAHs had higher BCFbs than high–molecular–weight (HMW) PAHs. The PAH concentrations showed significant and positive correlations among soils, the belowground parts, and the aboveground parts. The toxicity equivalent concentration (TEQBaP) followed the order of cabbage (greenhouse) > cabbage (field) > carrot (greenhouse) > carrot (field), suggesting potentially higher health risks in cabbage relative to carrot and vegetables under the greenhouse relative to field condition. Our study suggested growing carrots under field conditions as a management strategy for reducing the risks of vegetables grown in PAH–contaminated soils. © 2024 Elsevier Ltd

关键词： Health risks

Sophisticated Distillation Methodology of Molten Salt System on the Vanadium Chlorination

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SSRN 2025年

作者： Liu, Peng Fan, Yong Zhang, Yi-Min Zheng, Qiu-Shi Wang, Zheng School of Resources and Environmental Engineering Wuhan University of Science and Technology Hubei Wuhan430081 China State Environmental Protection Key Laboratory of Mineral Metallurgical Resources Utilization and Pollution Control Hubei Wuhan430081 China Collaborative Innovation Center of Strategic Vanadium Resources Utilization Hubei Wuhan430081 China Hubei Provincial Engineering Technology Research Center of High efficient Cleaning Utilization for Shale Vanadium Resource Hubei Wuhan430081 China

This study focuses on the innovative application of molten salt systems in vanadium chlorination reactions, with an in-depth analysis of the critical role of NaF in improving vanadium extraction efficiency and product purity. By integrating experimental investigations with first-principles simulations, the study systematically reveals the atomic interactions, ion migration behaviors, and dynamic coordination restructuring processes between vanadium compounds and chloride/fluoride ions in molten salts. Experimental results show that, under 170°C conditions, the introduction of NaF during the chlorination distillation process increases vanadium extraction efficiency from 82.3% to 92.5%, effectively suppresses AlCl3 volatilization, and achieves a product purity of ≥99.9%. Computational simulations further elucidate the mechanism of F⁻ in the molten salt system: NaF forms stable Al-F bonds with Al³⁺, partially replacing the original Al³⁺-Cl⁻ coordination. This reduces the steric hindrance of Cl⁻ and significantly increases the concentration of free Cl⁻ ions, thereby accelerating the chlorination reaction. Additionally, radial distribution function, coordination number, and mean square displacement analyses indicate that the introduction of F⁻ destabilizes NaAlCl4 ionic clusters, promoting ion rearrangement and optimizing reaction kinetics. Meanwhile, F⁻ modifies the electronic environment of V⁵⁺, enhancing its bonding interactions with Cl⁻, ultimately facilitating VOCl3 formation. © 2025, The Authors. All rights reserved.

关键词： Sodium chloride

Assessment of the Binding Mechanism of Ergothioneine to Human Serum Albumin: Multi-Spectroscopy, Molecular Docking and Molecular Dynamic Simulation

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SSRN 2024年

作者： Meng, Xiaohui Xia, Zhangchen Cheng, Junwen Wang, Yanbin Ren, Xueyong He, Liang Liu, Dan Key Laboratory of State Forest Food Resources Utilization and Quality Control Zhejiang Academy of Forestry Hangzhou310023 China Zhejiang Provincial Key Laboratory of Resources Protection Innovation of Traditional Chinese Medicine Zhejiang A&F University Hangzhou311300 China National Forestry and Grassland Engineering Technology Center for Wood Resources Recycling College of Materials Science and Technology Beijing Forestry University Beijing100083 China Key Laboratory of Pollution Exposure and Health Intervention of Zhejiang Province College of Biology and Environmental Engineering Zhejiang Shuren University Hangzhou310015 China

Ergothioneine (EGT) has attracted great attention due to its extremely potent antioxidant properties, universally acknowledged as ‘longevity vitamin’. In order to comprehensive understanding of its pharmacodynamics and pharmacokinetics, the binding mechanism of EGT with human serum albumin (HSA) was clarified by cutting-edged multi-spectroscopic approaches and in silico molecular docking coupled with molecular dynamic simulation. Our fluorescence quenching results revealed that the binding of EGT to HSA was in a static quenching mode validated by the descending Ksv values with temperatures increased and 1012 order of Kq. van’t Hoff criterion revealed the combination of EGT with HSA was a spontaneous exothermic process (ΔG=-24.16 kJ•mol-1) via hydrogen bonding and van der Waals force interactions (ΔH=-60.25 kJ•mol-1, ΔS=-129.44 J•mol-1•K-1) at 310 K. The analysis of UV-vis absorption spectrum, synchronous fluorescence spectrum, three-dimensional fluorescence spectrum and circular dichroism indicated the addition of EGT affected the microenvironment of Try214 and rearranged the structure of HSA. The binding replacement assay interpreted their binding site was near the subdomain IIA of HSA (Sudlow's site I), which was intuitively exhibited by molecular docking. In addition of obvious van der Wall forces, attractive charge and Pi-alkyl interactions, the chiral betaine group (N+(CH3+)3) in the side chain of EGT was inclined to form hydrogen bonds with Lys199, Ser287 and Arg257 in the hydrophobic cavity of albumin. Moreover, the dynamic simulation reinforced the equilibrium and stability of formed docking complex by four indicators (RMSD, RMSF, Rg, SASA) within 100 ns. This study has shredded insights on the elucidation of the binding behavior of EGT with HSA and paved an avenue for its deep application in the field of pharmaceuticals and cosmetics. © 2024, The Authors. All rights reserved.

关键词： Hydrogen bonds

A Systematic Study of the Interaction Mechanism between Bovine Serum Albumin and Tio2 Nanoparticles with Various Shapes Morphologies, Surface Charges, and Hydrophobicity Properties

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SSRN 2022年

作者： Lu, Rui Tan, Chunhu Li, Luo Zhang, Tingting Li, Yi Xin, Xiaoli Liu, Chang Li, Weihua Yan, Changqing Li, Jiansheng Jiangsu Key Laboratory of Chemical Pollution Control and Resources Reuse School of Environmental and Biological Engineering Nanjing University of Science and Technology Nanjing210094 China Information Materials and Intelligent Sensing Laboratory of Anhui Province Anhui University Hefei230601 China School of Environment and Energy Engineering Anhui Provincial Key Laboratory of Environmental Pollution Control and Resource Reuse Anhui Jianzhu University Hefei230601 China Hefei Gotion High-tech Power Energy Co. Ltd Hefei230011 China

The interaction mechanism between bovine serum albumin (BSA) and titanium dioxide (TiO2) nanoparticles with different structure, surface charge and hydrophobic properties was studied by means of multiple spectral methods and molecular docking simulation. UV-vis spectra showed that when BSA interacted with the four TiO2 NPs, the intensity of the absorption peak at 278 nm increased, indicating that the TiO2 nanoparticles and BSA formed a stable ground-state complex. The results of fluorescence spectra showed that the equilibrium dissociation constants (KD) of four different types of TiO2 nanoparticles (s-TiO2, r-TiO2, c-TiO2, h-TiO2) and BSA were 0.015±0.0004, 0.052±0.0053, 0.145±0.0373 and 0.274±0.1679 mg/mL, respectively. The binding capacities of four different types of TiO2 nanoparticles with BSA are as follows: s-TiO2 > r-TiO2 > c-TiO2 > h-TiO2. The results of synchronous fluorescence, circular dichroism (CD) and Fourier transform infrared (FTIR) spectroscopy revealed that the conformation of BSA was affected differently by the four different types of TiO2. s-TiO2, r-TiO2, and c-TiO2 have a weak effect on the conformation of BSA, whereas h-TiO2 has a greater effect. After adding 32 and 64 µg/mL TiO2, CD results showed that c-TiO2 increased the ɑ-helix content of BSA from 56.08% to 56.19% and 57.27%, respectively. h-TiO2 increased the ɑ-helix content of BSA to 60.46% and 62%. The FTIR results were consistent with CD, and h-TiO2 had the most dramatic effect on the conformation of BSA. After the addition of TiO2 NPs, c-TiO2 and h-TiO2 increased the ɑ-helix content of BSA from 64.22% to 69.89% and 77.18%, respectively. Molecular docking results show that the bond energy between anatase TiO2 and BSA is -0.3 kJ/mol, and the bond energy between hydroxyl anatase TiO2 and BSA is -0.54 kJ/mol. The content of hydroxyl groups plays a key role in the binding capacity. © 2022, The Authors. All rights reserved.

关键词： Hydrophobicity

A Systematic Study of the Interaction Mechanism between Bovine Serum Albumin and Tio2 Nanoparticles with Various Shapes, Surface Charges, and Hydrophobicity Properties

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SSRN 2022年

作者： Lu, Rui Li, Luo Tan, Chunhu Zhang, Tingting Li, Yi Xin, Xiaoli Liu, Chang Li, Weihua Yan, Changqing Li, Jiansheng Jiangsu Key Laboratory of Chemical Pollution Control and Resources Reuse School of Environmental and Biological Engineering Nanjing University of Science and Technology Nanjing210094 China Information Materials and Intelligent Sensing Laboratory of Anhui Province Anhui University Hefei230601 China School of Environment and Energy Engineering Anhui Provincial Key Laboratory of Environmental Pollution Control and Resource Reuse Anhui Jianzhu University Hefei230601 China Hefei Gotion High-tech Power Energy Co. Ltd Hefei230011 China

The mechanism of interaction between titanium dioxide (TiO2) nanoparticles with varying structures, surface charges, hydrophobic characteristics and bovine serum albumin (BSA) was explored using a variety of spectroscopic methods and molecular docking simulations. Ultraviolet-visible spectroscopy showed that when BSA was in contact with TiO2, the absorption peak intensity rose, indicating that TiO2 nanoparticles affected the solvent environment of BSA and exposed BSA aromatic chromogenic groups. The fluorescence spectra results revealed a direct contact between TiO2 nanoparticles and the amino acid residues of BSA in nanoscale distances, the dissociation constants for four different type of TiO2 nanoparticles with BSA were 0.01±0.060, 0.31±0.086, 0.42±0.066 and 0.52±0.270, respectively. Synchronous fluorescence, circular dichroism, and Fourier transform-infrared (FTIR) spectroscopy studies indicated that spherical TiO2 and rod-shaped TiO2 almost had no effect on BSA conformation. Surface positively charged TiO2 of 0.04 and 0.08 mM raised the α-helix content of BSA from 56.08% to 56.19% and 57.27%, respectively;whereas surface hydrophobic modified TiO2 increased content to 60.46% and 62%, respectively. FTIR spectroscopy demonstrates that at greater concentrations of TiO2 nanoparticles and BSA, positive charged and hydrophobic modified TiO2 can enhance the α-helix content of BSA to 69.89% and 77.18%, respectively. The molecular docking results showed that the binding energy of anatase TiO2 and BSA was -0.3 kJ mol-1 while hydroxyl-anatase TiO2 and BSA was -0.54 kJ mol-1. Both experimental evidence and theoretical simulations indicate that the morphology of TiO2 nanoparticles impacts their binding force with BSA and hydroxyl groups play an essential role in the binding process. For positively charged TiO2, it may cause a small perturbation of the BSA structure. Additionally, hydrophilic TiO2 also has a small effect on the conformation of BSA, and this effect can be amp

关键词： Titanium dioxide

Coalescence of As(Ii) with •Oh: The Pivot for Co-Processing of As(Iii) and Butyl Xanthate

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SSRN 2023年

作者： Shu, Zihan Qiu, Rongliang Tang, Yetao Zhao, Nan Chen, Qiang Yang, Hailan Li, Hong Deng, Yuanyuan Liu, Shaobo Gu, Yanling Tan, Xiaofei Ministry of Education Changsha410082 China School of Environmental Science and Engineering Sun Yat-sen University Guangzhou510275 China Guangdong Provincial Key Laboratory of Agricultural & Rural Pollution Abatement and Environmental Safety College of Natural Resources and Environment South China Agricultural University Guangzhou510642 China Guangdong Provincial Key Lab of Environmental Pollution Control and Remediation Technology Sun Yat-sen University Guangzhou510275 China Hunan University China College of Materials Science and Engineering Changsha University of Science and Technology Changsha410114 China

Although the water metalloid pollution has been widely studied, the effect of the combined pollution of organic matter and metalloids in mining water and the possible interaction mechanisms between metalloids and flotation reagents, are both poorly understood. When the mixed pollution of metalloids and organic compounds exists, it tends to cause more serious damage to natural organisms. A synergistic removal of As(III) and butyl xanthate (Bx) in an advanced oxidation system was reported by using biochar-based catalyst loaded with nano-zero-valent iron from an inexpensive iron source (iron slag) to activate peroxodisulfate. The removal efficiencies were improved 30% in the co-existence of As(III) and Bx compared to those of the single pollutant. The theoretical calculations, especially, frontier molecular orbital theory revealed the generation of [AsO2-OH]•− by the combination of As(II) with •OH. This [AsO2-OH]•− could participate in the oxidative degradation of Bx with high activity and combined with the sulfur falling off Bx after the reaction to form a novel Fe-As-S complex as indicated by X-ray absorption fine structure analysis. Overall, this study first reported the generation for low-valent arsenic active substances of [AsO2-OH]•− on the removal of organic pollution containing S atoms under water conditions with the coexistence of As(III). © 2023, The Authors. All rights reserved.

关键词： X ray absorption

Photocatalytic activity and degradation mechanism of in-situ reduction Bi-doped self-assembled 3D flower-sphere UiO-66-NH2/BiOBr

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Optical Materials: X 2021年 12卷

作者： Zhang, Xiaorui Cao, Wang Chen, Chen Jiang, Caiyun Wang, Yuping School of Chemistry and Material Science Jiangsu Provincial Key Laboratory of Materials Cycling and Pollution Control Nanjing Normal University Nanjing210023 China Department of Engineering and Technology Jiangsu Institute of Commerce Nanjing211168 China Jiangsu Key Laboratory of Chemical Pollution Control and Resources Reuse Nanjing University of Science and Technology Nanjing210094 China

The 3D flower-sphere UiO-66-NH2/Bi/BiOBr with good photocatalytic performance was successfully prepared by in-situ reduction and self-assembly process. The formation of semi-metal Bi was identified by XRD, XPS, HR-TEM and other methods. Transient photocurrent response and EIS spectra proved that compared with BiOBr nanosheets, the 3D flower-sphere structure, the reduction of metal Bi and the construction of Z-scheme heterojunction significantly improved the separation efficiency of photogenerated carriers in composite materials. The degradation rates of 50% UiO-66-NH2/Bi/BiOBr on tetracycline (30 mg/L TC) and norfloxacin (10 mg/L NOR) reached about 80% and 100%, respectively. Cycling experiments and XRD and XPS characterization results before and after the photocatalytic reaction verified that the composite had excellent reusability and stability. The experiment of free radical trapping agent and EPR spectrum analysis showed that in the UiO-66-NH2/Bi/BiOBr system, superoxide radical (·O2-) was the major active substance in the photocatalytic reaction, and Z-scheme degradation mechanism using metal Bi as electron conduction bridge was surmised. © 2021

关键词： Heterojunctions