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Broadening environmental research in the era of accurate protein structure determination and predictions

Frontiers of Environmental Science & Engineering 2024年第7期18卷 169-178页

作者： Mingda Zhou Tong Wang Ke Xu Han Wang Zibin Li wei-xian zhang Yayi Wang State Key Laboratory of Pollution Control and Resources Reuse Shanghai Institute of Pollution Control and Ecological SecurityCollege of Environmental Science and EngineeringTongji UniversityShanghai 200092China Translational Research Institute of Brain and Brain-Like Intelligence Shanghai Fourth People's HospitalSchool of MedicineTongji UniversityShanghai 200434China

The deep-learning protein structure prediction method AlphaFold2 has garnered enormous attention beyond the realm of structural biology,for its groundbreaking contribution to solving the"protein foiding problem"In this perspective,we explore the connection between protein structure studies and environmental research,delving into the potential for addressing specific environmental *** are promising for environmental applications because of the functional diversity endowed by their structural ***,structural studies on proteins with environmental significance remain ***,we present the opportunity to study proteins by advancing experimental determination and deep-learning prediction ***,the latest progress in environmental research via cryogenic electron microscopy is *** allows us to determine the structure of protein complexes in their native state within cells at molecular resolution,revealing environmentally-associated structural *** the remarkable advancements in computational power and experimental resolution,the study of protein structure and dynamics has reached unprecedented depth and *** advancements will undoubtedly accelerate the establishment of comprehensive environmental protein structural and functional *** opportunities for protein engineering exist to enable innovative solutions for environmental applications,such as the degradation of persistent contaminants,and the recovery of valuable metals as well as rare earth elements.

关键词： Environmental proteins Protein structure Cryogenic electron microscopy Protein structure prediction Protein engineering Artificial Intelligence

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Stabilization of nanoscale zero-valent iron in water with mesoporous carbon(n ZVI@MC)

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Journal of Environmental Sciences 2019年第7期31卷 28-33页

作者： Junming Shi Jing Wang wei Wang wei Teng wei-xian zhang State Key Laboratory of Pollution Control and Resource Reuse School of Environmental Science and Engineering Tongji University School of Chemical Science and Engineering Tongji University

Two challenges persist in the applications of nanoscale zero-valent iron(nZVI) for environmental remediation and waste treatment: limited mobility due to rapid aggregation and short lifespan in water due to quick oxidation. Herein, we report the nZVI incorporated into mesoporous carbon(MC) to enhance stability in aqueous solution and mobility in porous media. Meanwhile, the reactivity of nZVI is preserved thanks to high temperature treatment and confinement of carbon framework. Small-sized(～16 nm) nZVI nanoparticles are uniformly dispersed in the whole carbon frameworks. Importantly, the nanoparticles are partially trapped across the carbon walls with a portion exposed to the mesopore channels. This unique structure not only is conductive to hold the nZVI tightly to avoid aggregation during mobility but also provides accessible active sites for reactivity. This new type of nanomaterial contains ～10 wt% of iron. The nZVI@MC possesses a high surface area(～ 500 m^2/g) and uniform mesopores(～ 4.2 nm) for efficient pollutant diffusion and reactions. Also, high porosity of nZVI@MC contributes to the stability and mobility of nZVI. Laboratory column experiments further demonstrate that nZVI@MC suspension(～4 g Fe/L) can pass through sand columns much more efficiently than bare nZVI while the high reactivity of nZVI@MC is confirmed from reactions with Ni(II). It exhibits remarkably better performance in nickel(20 mg/L) extraction than mesoporous carbon, with 88.0% and 33.0%uptake in 5 min, respectively.

关键词： Mesoporous carbon Nanoscale zero-valent iron Mobility Porous media Heavy metal removal

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Nanoencapsulation of hexavalent chromium with nanoscale zero-valent iron:High resolution chemical mapping of the passivation layer

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Journal of Environmental Sciences 2018年第5期30卷 4-13页

作者： Xiao-yue Huang Lan Ling wei-xian zhang State Key Laboratory for Pollution Control College of Environmental Science and EngineeringTongji UniversityShanghai 200092China Shanghai Institute of Pollution Control and Ecological Security Shanghai 200092China

Solid phase reactions of Cr（Ⅵ） with Fe（0） were investigated with spherical-aberration-corrected scanning transmission electron microscopy（Cs-STEM） integrated with X-ray energy-dispersive spectroscopy（XEDS）. Near-atomic resolution elemental mappings of Cr（Ⅵ）–Fe（0） reactions were acquired. Experimental results show that rate and extent of Cr（Ⅵ） encapsulation are strongly dependent on the initial concentration of Cr（Ⅵ） in solution. Low Cr loading in nZⅥ（〈1.0 wt%） promotes the electrochemical oxidation and continuous corrosion of n ZⅥ while high Cr loading（〉1.0 wt%） can quickly shut down the Cr uptake. With the progress of iron oxidation and dissolution, elements of Cr and O counter-diffuse into the nanoparticles and accumulate in the core region at low levels of Cr（Ⅵ）（e.g., 〈 10 mg/L）. Whereas the reacted n ZⅥ is quickly coated with a newly-formed layer of 2–4 nm in the presence of concentrated Cr（Ⅵ）（e.g., 〉 100 mg/L）. The passivation structure is stable over a wide range of pH unless pH is low enough to dissolve the passivation layer. X-ray photoelectron spectroscopy（XPS） depth profiling reconfirms that the composition of the newly-formed surface layer consists of Fe（Ⅲ）–Cr（Ⅲ）（oxy）hydroxides with Cr（Ⅵ） adsorbed on the outside surface. The insoluble and insulating Fe（Ⅲ）–Cr（Ⅲ）（oxy）hydroxide layer can completely cover the n ZⅥ surface above the critical Cr loading and shield the electron transfer. Thus, the fast passivation of nZⅥ in high Cr（Ⅵ） solution is detrimental to the performance of nZⅥ for Cr（Ⅵ） treatment and remediation.

关键词： Nanoscale zero-valent iron (nZVI) Hexavalent chromium Solid phase reaction Passivation Spherical-aberration-correctedscanning transmission electronmicroscopy (Cs-STEM)

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Nanoscale zero-valent iron integrated with bioreactor for recalcitrant antimony-Congo red dyeing wastewater treatment

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Progress in Natural Science:Materials International 2023年第5期33卷 569-574页

作者： Jing Liu Airong Liu Yi wei Jiahui Fu wei-xian zhang College of Environmental Science and Engineering Tongji University State Key Laboratory for Pollution Control and Resource Reuse

Antimony(Sb) and recalcitrant organic dyes often coexist in dyeing wastewater, and the simultaneous removal of Sb and dyes has been a challenge for traditional biological method in the treatment of Sb-dyeing *** zero-valent iron(n ZVI) is particularly suitable for separating heavy metals and enhancing the biodegradability of recalcitrant organic compounds. Herein, n ZVI is integrated with bioreactors(n ZVI-bio system) to achieve enhanced removal of Sb and degradation of Congo red(CR) in wastewater. The n ZVI-bio system achieves a reduction in Sb levels from 2.5 g L-1to 0.064 mg L-1, with a color removal efficiency of up to 98.60 % and a reduction in COD from 167 mg L-1to 55 mg L-1. The excellent performance is mainly attributed to n ZVI pretreatment, which removes Sb and degrades CR into smaller and more biodegradable organic compounds,providing favorable environmental conditions for the subsequent biotreatment system. This suggests that integrated n ZVI-bio system has potential for the treatment of complex wastewater containing heavy metals and recalcitrant organic dyes.

关键词： Nanoscale zero-valent iron Biotreatment Antimony Congo red nZVI-bio system

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Nanoencapsulation of arsenate with nanoscale zero-valent iron(nZVI):A 3D perspective

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Science Bulletin 2018年第24期63卷 1641-1648页

作者： Airong Liu wei Wang Jing Liu Rongbing Fu wei-xian zhang State Key Laboratory for Pollution Control and Resource Reuse College of Environmental Science and EngineeringTongii UniversityShanghai 200092China School of Chemical Sdence and Engineering Tongji UniversztyShanghai 200092China Shanghai Institute of Pollution Control and Ecological Security Shanghai 200092China

The principal forces driving the efficient enrichment and encapsulation of arsenic(As) into nanoscale zero-valent iron(nZVI) are the disordered arrangement of the atoms and the gradient chemical potentials within the core-shell interface. The chemical compositions and the fine structure of nZVI are characterized with a combination of spherical aberration corrected scanning transmission electron microscopy(Cs-STEM), X-ray energy-dispersive spectroscopy(XEDS), electron energy loss spectroscopy(EELS), and high-resolution X-ray photoelectron spectroscopy(HR-XPS). Atomically resolved EELS at the oxygen K-edge unfolds that the Fe species in nZVI are well stratified from Fe(Ⅲ) oxides in the outermost periphery to a mixed Fe(Ⅲ)/Fe(Ⅱ) interlayer, then Fe(Ⅱ) oxide and the pure Fe(0) phase. Reactions between As(Ⅴ)and nZVI suggest that a well-structured local redox gradient exists within the shell layer, which serves as a thermodynamically favorable conduit for electron transfer from the iron core to the surface-bound As(Ⅴ). HR-XPS with ion sputtering shows that arsenic species shift from As(Ⅴ), As(Ⅲ)/As(Ⅴ) to As(Ⅴ)/As(Ⅲ)/As(0) from the iron oxide shell–water interface to the Fe(0) core. Results reinforce previous work on the efficacy of nZVI for removing and remediating arsenic while the analytical TEM methods are also applicable to the study of environmental interfaces and surface chemistry.

关键词： Arsenate Nanoscale zero-valent iron Spherical aberration corrected scanning transmission electron microscopy X-ray energy-dispersive spectroscopy Electron energy-loss spectroscopy X-ray photoelectron spectroscopy

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The colorful chemistry of nanoscale zero-valent iron(nZVI)

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Journal of Environmental Sciences 2018年第5期30卷 1-3页

作者： Yilong Hua Jing Liu Tianhang Gu wei Wang wei-xian zhang State Key Laboratory of Pollution Control and Resource Reuse School of Environmental Science and Engineering Tongji University School of Chemical Science and Engineering Tongji University

Nanoscale zero-valent iron （nZVI） possesses unique chemistry and capability for the separation and transformation of a growing number of environmental contaminants. A nZVI particle consists of two nanoscale components, an iron （oxyhydr）oxides shell and a metallic iron core. This classical ＂core-shell＂ structure offers nZVI with unique and multifaceted reactivity of sorption, complexation, reduction and precipita- tion due to its strong small particle size for engineering deployment, large surface area, abundant reactive sites and electron-donating capacity for enhanced chemical activity. For over two decades, research has been steadily expanding our understanding on the reaction mechanisms and engineering performance of nZVI for soil and groundwater remediation, and more recently for wastewater treatment.

关键词： Nanoscale zero-valent iron (nZVI) Environmental nanotechnology Dyes and pigments Wastewater treatment Spherical aberration-corrected scan-ning transmission electron micros-copy (Cs-STEM)

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Microbes team with nanoscale zero-valent iron: A robust route for degradation of recalcitrant pollutants

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Journal of Environmental Sciences 2022年第8期34卷 140-146页

作者： Nuo Liu Jing Liu Hong Wang Shaolin Li wei-xian zhang State Key Laboratory for Pollution Control and Resource Reuse School of Environmental Science and EngineeringTongji UniversityShanghai 200092China

Integrating nanoscale zero-valent iron(nZVI) with biological treatment processes holds the promise of inheriting significant advantages from both environmental nano-and biotechnologies. nZVI and microbes can perform in coalition in direct contact and act simultaneously, or be maintained in separate reactors and operated sequentially. Both modes can generate enhanced performance for wastewater treatment and environmental remediation. nZVI scavenges and eliminates toxic metals, and enhances biodegradability of some recalcitrant contaminants while bioprocesses serve to mineralize organic compounds and further remove impurities from wastewater. This has been demonstrated in a number of recent works that nZVI can substantially augment the performance of conventional biological treatment for wastewaters from textile and nonferrous metal industries. Our recent laboratory and field tests show that COD of the industrial effluents can be reduced to a record-low of 50 ppm. Recent literature on the theory and applications of the nZVI-bio system is highlighted in this mini review.

关键词： Environmental microbiology Nanoscale zero-valent iron(nZVI) Remediation Wastewater nZVI-bio system

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Reductive Dechlorination of p-Chlorophenol by Nanoscale Iron

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Biomedical and Environmental Sciences 2007年第5期20卷 410-413页

作者： RONG CHENG JIAN-LONG WANG wei-xian zhang Laboratory of Environmental Technology INET Tsinghua University Beijing 100084 China Department of Civil and Environmental Engineering Lehigh University Bethlehem PA 18015-3176 USA

Objective To investigate reductive dechlorination of 4-chlorophenol （4-CP） by nanoscale Fe^0 under different conditions. Methods Nanoscale Fe^0 was synthesized by using reductive method. 4-CP and its intermediate products were analyzed by HPLC. Chlorine ion was quantified with DX-100 ion chromatograph. Nano-iron particles were observed under a FEI Quanta 200 FEG environmental scanning electron microscope （ESEM）. Results The size of the particles was in the range of 10-100 nm. The nano-iron particles could reduce 4-CP effectively. The initial concentration of 4-CP increased with the decrease of the relative degradation rate, whereas the reduced amount of 4-CP increased. Temperature could influence both the dechlorination rate and the reaction pathway. Moreover, the stability and durability of nanoscale Fe^0 was evaluated through batch studies over extended periods of time. Conclusion The nanoscale Fe^0 can be used for sustainable treatment of contaminants in groundwater.

关键词： Nanoscale iron 4-CP Phenol Dechlorination Priority pollutant

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Nitrogen-doped iron for selective catalytic reduction of nitrate to dinitrogen

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Science Bulletin 2020年第11期65卷 926-933,M0004页

作者： Jing Wang Lan Ling Zilong Deng⇑ wei-xian zhang State Key Laboratory for Pollution Control School of Environmental Science and EngineeringShanghai Institute of Pollution Control and Ecological SecurityTongji UniversityShanghai 200092China

Nitrate is the leading cause of eutrophication worldwide and is one of the most challenging pollutants for restoration of polluted surface waters such as lakes, rivers and reservoirs. We report herein a new architecture of iron nanoparticles for high-efficiency denitrification by selective reduction of nitrate (NO3-) to dinitrogen (N2). The iron nanoparticles are doped with nitrogen (FeN) and encapsulated within a thin layer of nitride-carbon (NC). The nanoparticles have high pyrrolic N content (17.4 at.%) and large specific surface area (2040 m2/g). Laboratory experiments demonstrated high N2selectivity (91%) and nitrate removal capacity (6004 mg N/g Fe) for treatment of nitrate-containing water. This iron-based nanomaterial overcomes shortcomings of conventional catalysts by eliminating the use of precious and toxic heavy metals (e.g., Pd, Pt, Cu, Ni) and minimizing the generation of undesirable byproducts (e.g., ammonia) from the reactions with nanoscale zero-valent iron (n ZVI). The multiple electron transfers process from NO3- to N2can be fine-tuned by adjusting the NC shell thickness. Superior electrocatalytic perfor- mance, low cost and minimal environmental impact of the iron-derived nanocatalyst offer promising prospects for water purification, waste treatment and environmental remediation.

关键词： Nitrogen-doped iron(FeN) Core-shell structure Electrocatalytic denitrification N2 selectivity nZVI

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Effect of combined treatment with cyclophosphamidum and allicin on neuroblastoma-bearing mice

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Asian Pacific Journal of Tropical Medicine 2015年第2期8卷 137-141页

作者： xiang-Yang Gao xian-Jie Geng Wen-Long Zhai xian-wei zhang Yuan wei Guang-Jun Hou Department of General Surgery Children's Hospital of Zhengzhou Department of Hepatobiliary Surgery the First Affiliated Hospital of Zhengzhou University

Objective:To evaluate the efficacy of allicin combined with cyclophosphamide on neuroblastoma(NB)-bearing mice and explore the immunological mechanism in ***:A total of 30NB-bearing mice were equally randomized into model group,cyclophosphamide group and combined therapy group,10 nudemice were set as normal saline(NS) *** group and combined therapy group were weekly injected with 60 mg/kg cyclophosphamide for four weeks;besides,combined therapy group was given with allicin(10 mg/kg/d) by gastric perfusion for 4 weeks;model group and NS group were given with the same volume of *** VEGF content was detected by ELISA pre-treating(0 d) and on the 3rd d.14 th d and 28 th d;on29th d,all mice were sacrificed and the tumor,liver,spleen and thymic tissues were *** were made into paraffin section for detecting tumor cell apoptosis and proliferation by *** BrdU method,*** curves were drawn by Kaplan-Meier ***:After treatment,both treatment groups relieved on viscera indexes,VEGF level,T cell subsets distribution and tumor growth and each index of combined therapy group was better than cyclophosphamide group(P<0.05 or 0.01);only combined therapy group could significantly increase the lifetime of NB-bearing mice(χ~2=5.667,P=0.017).Conclusions:Allicin can improve T cell subsets distribution and inhibit VEGF expression through its immunomodulatory activity,thereby improve the efficiency on NB in coordination with cyclophosphamide.

关键词： Allicin Cyclophosphamide Neuroblastoma NB-bearing mice T cell subsets

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