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Rational surface charge engineering of haloalkane dehalogenase for boosting the enzymatic performance in organic solvent solutions

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Chinese Journal of Chemical Engineering 2024年第1期65卷 276-285页

作者： Yin wu Yan sun Department of Biochemical Engineering School of Chemical Engineering and Technology and Key Laboratory of Systems Bioengineering and Frontiers Science Center for Synthetic Biology(Ministry of Education)Tianjin UniversityTianjin 300350China

Biocatalysis in organic solvents(OSs)has numerous important applications,but native enzymes in OSs often exhibit limited catalytic performance.Herein,we proposed a computation-aided surface charge engineering strategy to improve the catalytic performance of haloalkane dehalogenase DhaA in OSs based on the energetic analysis of substrate binding to the DhaA surface.Several variants with enhanced OS resistance were obtained by replacing negative charged residues on the surface with positive charged residue(Arg).Particularly,a four-substitution variant E16R/E93R/E121R/E257R exhibited the best catalytic performance(five-fold improvement in OS resistance and seven-fold half-life increase in 40%(vol)dimethylsulfoxide).As a result,the overall catalytic performance of the variant could be at least 26 times higher than the wild-type DhaA.Fluorescence spectroscopy and molecular dynamics simulation studies revealed that the residue substitution mainly enhanced OS resistance from four aspects:(a)improved the overall structural stability,(b)increased the hydrophobicity of the local microenvironment around the catalytic triad,(c)enriched the hydrophobic substrate around the enzyme molecule,and(d)lowered the contact frequency between OS molecules and the catalytic triad.Our findings validate that computationaided surface charge engineering is an effective and ingenious rational strategy for tailoring enzyme performance in OSs.

关键词： Surface charge engineering Organic solvent resistance Molecular dynamics simulation Haloalkane dehalogenase

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Natural marmatite photocatalyst for treatment of mineral processing wastewater to help zero wastewater discharge

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Journal of Environmental Sciences 2024年第8期142卷 83-91页

作者： Meirong wu Wei sun Xiangsong Meng Jianhua Kang Yue Yang School of Minerals Processing and Bioengineering Central South UniversityChangsha 410083China Key Laboratory of Hunan Province for Clean and Efficient Utilization of Strategic Calcium-containing Mineral Resources Central South UniversityChangsha 410083China

Mineral processing wastewater(MPW)with large discharge and high toxicity affects environmental safety,and the realizing zero discharge of MPW is of great significance for reducing environmental pollution,saving water resources,and promoting the sustainable development of the mining industry.In this study,we reported natural marmatite(NM)as a low-cost and efficient photocatalyst for the treatment of MPW to help zero wastewater discharge.The photocatalytic activity of NM was evaluated by the removal of total organic carbon(TOC)from MPW under visible-light illumination,and the optimal degradation conditions were discussed.Results showed that superoxide free radicals(^(·)O_(2)^(-))were the dominant active species responsible for organic pollutants degradation,and 74.25%TOC removal was obtained after 120 min reaction under the optimum treatment conditions.Meanwhile,the wastewater treated by NM photocatalysis can be reused in the flotation system without adverse impact on the product index.Based on these findings,a model of zero wastewater discharge for flotation with the help of photocatalytic treatment was established,it indicated that the water of the whole system can be balanced without affecting the ore dressing index,which showed that visible light-driven photocatalyst has a promising application prospect in the treatment and recycling of industrial wastewater.

关键词： Natural mineral Photocatalysis Industrial wastewater Wastewater recycling Water balance

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Pylorus-preserving gastrectomy for early gastric cancer

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World Journal of Gastrointestinal Oncology 2024年第3期16卷 653-658页

作者： Ke-Kang sun Yong-You wu Department of Gastrointestinal Surgery The Affiliated Kunshan Hospital to Jiangsu UniversitySuzhou 215300Jiangsu ProvinceChina Department of Gastrointestinal Surgery The Second Affiliated Hospital of Soochow UniversitySuzhou 215008Jiangsu ProvinceChina

Pylorus-preserving gastrectomy(PPG)has been widely accepted as a function-preserving gastrectomy for middle-third early gastric cancer(EGC)with a distal tumor border at least 4 cm proximal to the pylorus.The procedure essentially preserves the function of the pyloric sphincter,which requires to preserve the upper third of the stomach and a pyloric cuff at least 2.5 cm.The suprapyloric and infrapyloric vessels are usually preserved,as are the hepatic and pyloric branches of the vagus nerve.Compared with distal gastrectomy,PPG has significant advantages in preventing dumping syndrome,body weight loss and bile reflux gastritis.The postoperative complications after PPG have reached an acceptable level.PPG can be considered a safe,effective,and superior choice in EGC,and is expected to be extensively performed in the future.

关键词： Gastric cancer Pylorus-preserving gastrectomy Oncological safety Gastric stasis

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Feeding prehistoric coastal community:A study of marine faunal remains at the Jingtoushan site

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Science China Earth Sciences 2024年第5期67卷 1574-1590页

作者： Endong wu Guoping sun Ying ZHANG School of Culture History and LanguageAustralian National UniversityCanberra 2600Australia Zhejiang Provincial Institute of Cultural Relics and Archaeology Hangzhou 310012China National Centre for Archaeology Beijing 100013China

This article examines the abundant marine mollusc,and fish remains at the Jingtoushan shell midden(8,300 to7,800 cal a BP)in Zhejiang Province,China,to investigate the fishing economy,community development,the palaeoenvironment,and their interactions among the prehistoric populations in the lower Yangtze River Basin and southeastern coastal China.It also attempts to explore the prosperity and decline of coastal settlements in China during the Neolithic Age and the potential reasons for their rise and fall,respectively.Based on the ecological and biological principles of marine animals,standard zooarchaeological methods and radiocarbon dating analysis are used for sampling,identification,measurement,and quantification.Results show that at least 11 mollusc taxa and 14 fish taxa can be identified from the Jingtoushan faunal assemblage.The ancient Jingtoushan residents possibly lived in a settlement close to the coast and engaged in inshore and offshore fishing,hunting,and gathering as their primary subsistence strategies,with low-level rice cultivation as a supplementary means of sustenance.Eventually,the changes in the coastal environment could be one of the reasons why the Jingtoushan residents abandoned their settlement.The research contributes to Chinese Neolithic archaeology with new evidence of the exploitation of marine resources around 8000 a BP in the eastern coastal areas and the relationship between Neolithic community development and environmental changes.

关键词： Neolithic Age Marine faunal remains Fishing economy Palaeoenvironment Community development

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On the size generalizibility of graph neural networks for learning resource allocation

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Science China(Information Sciences) 2024年第4期67卷 239-254页

作者： Jiajun wu Chengjian sun Chenyang YANG Beihang University School of Electronics and Information Engineering

Size generalization is important for learning resource allocation policies in wireless systems with time-varying scales. If a neural network for learning a wireless policy is not generalizable to the size of its input, it has to be re-trained whenever the system scale changes, which hinders its practical use due to the unaffordable training costs. Graph neural networks(GNNs) have been shown with size generalization ability empirically when optimizing resource allocation. Yet, are GNNs naturally size generalizable? In this paper,we argue that GNNs are not always size generalizable for resource allocation. We find that the aggregation and activation functions of the GNNs for learning a class of wireless policies play a key role in their size generalization ability. We take the GNN with the mean aggregator, called mean-GNN, as an example to reveal a size generalization condition. To demonstrate how to satisfy the condition, we learn power and bandwidth allocation policies for ultra-reliable low-latency communications and show that selecting or pretraining the activation function in the output layer of mean-GNN can make the GNN size generalizable.Simulation results validate our analysis and evaluate the performance of the learned policies.

关键词： size generalization graph neural networks resource allocation permutation equivariance

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Cycling performance of layered oxide cathode materials for sodium-ion batteries

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International Journal of Minerals,Metallurgy and Materials 2024年第7期31卷 1720-1744页

作者： Jinpin wu Junhang Tian Xueyi sun Weidong Zhuang School of Metallurgical and Ecological Engineering University of Science and Technology BeijingBeijing 100083China State Key Laboratory of Advanced Metallurgy University of Science and Technology BeijingBeijing 100083China Beijing Key Laboratory for Green Recovery and Extraction of Rare and Precious Metals University of Science and Technology BeijingBeijing 100083China

Layered oxide is a promising cathode material for sodium-ion batteries because of its high-capacity,high operating voltage,and simple synthesis.Cycling performance is an important criterion for evaluating the application prospects of batteries.However,facing challenges,including phase transitions,ambient stability,side reactions,and irreversible anionic oxygen activity,the cycling performance of layered oxide cathode materials still cannot meet the application requirements.Therefore,this review proposes several strategies to address these challenges.First,bulk doping is introduced from three aspects:cationic single doping,anionic single doping,and multi-ion doping.Second,homogeneous surface coating and concentration gradient modification are reviewed.In addition,methods such as mixed structure design,particle engineering,high-entropy material construction,and integrated modification are proposed.Finally,a summary and outlook provide a new horizon for developing and modifying layered oxide cathode materials.

关键词： sodium-ion battery layered oxide materials cycling performance bulking doping surface coating concentration gradient mixed structure high-entropy

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Role of ferroptosis in fibrosis: From mechanism to potential therapy

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中华医学杂志(英文版) 2024年第7期137卷 806-817页

作者： Qiu Xuemeng Bi Qing wu Jiyue sun Zejia Wang Wei Department of Urology Beijing Chao-Yang Hospital Capital Medical University Beijing 100020 China Urinary and Nephropathy Center Institute of Urology

Fibrosis, which is a manifestation of the physiological response to injury characterized by excessive accumulation of extracellular matrix components, is a ubiquitous outcome of the repair process. However, in cases of repetitive or severe injury, fibrosis may become dysregulated, leading to a pathological state and organ failure. In recent years, a novel form of regulated cell death, referred to as ferroptosis, has been identified as a possible contributor to fibrosis; it is characterized by iron-mediated lipid peroxidation. It has garnered attention due to the growing body of evidence linking ferroptosis and fibrogenesis, which is believed to be driven by underlying inflammation and immune responses. Despite the increasing interest in the relationship between ferroptosis and fibrosis, a comprehensive understanding of the precise role that ferroptosis plays in the formation of fibrotic tissue remains limited. This review seeks to synthesize previous research related to the topic. We categorized the different direct and indirect mechanisms by which ferroptosis may contribute to fibrosis into three categories: (1) iron overload toxicity; (2) ferroptosis-evoked necroinflammation, with a focus on ferroptosis and macrophage interplay; and (3) ferroptosis-associated pro-fibrotic factors and pathways. Furthermore, the review considers the potential implications of these findings and highlights the utilization of ferroptosis-targeted therapies as a promising strategy for mitigating the progression of fibrosis. In conclusion, novel anti-fibrotic treatments targeting ferroptosis could be an effective treatment for fibrosis.

关键词： Ferroptosis Fibrosis Anti-fibrotic Iron metabolism Necroinflammation Epithelial-mesenchymal transition

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Sustained release of vascular endothelial growth factor A and basic fibroblast growth factor from nanofiber membranes reduces oxygen/glucose deprivation-induced injury to neurovascular units

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Neural Regeneration Research 2024年第4期19卷 887-894页

作者： Yifang wu Jun sun Qi Lin Dapeng Wang Jian Hai Department of Neurosurgery Tongji HospitalSchool of MedicineTongji University Department of Pharmacy Institute of Medical SciencesShanghai Jiao Tong University School of Medicine

Upregulation of vascular endothelial growth factor A/basic fibroblast growth factor(VEGFA/b FGF)expression in the penumbra of cerebral ischemia can increase vascular volume,reduce lesion volume,and enhance neural cell proliferation and differentiation,thereby exerting neuroprotective effects.However,the beneficial effects of endogenous VEGFA/b FGF are limited as their expression is only transiently increased.In this study,we generated multilayered nanofiber membranes loaded with VEGFA/b FGF using layer-by-layer self-assembly and electrospinning techniques.We found that a membrane containing 10 layers had an ideal ultrastructure and could efficiently and stably release growth factors for more than 1 month.This 10-layered nanofiber membrane promoted brain microvascular endothelial cell tube formation and proliferation,inhibited neuronal apoptosis,upregulated the expression of tight junction proteins,and improved the viability of various cellular components of neurovascular units under conditions of oxygen/glucose deprivation.Furthermore,this nanofiber membrane decreased the expression of Janus kinase-2/signal transducer and activator of transcription-3(JAK2/STAT3),Bax/Bcl-2,and cleaved caspase-3.Therefore,this nanofiber membrane exhibits a neuroprotective effect on oxygen/glucose-deprived neurovascular units by inhibiting the JAK2/STAT3 pathway.

关键词： brain ischemia brain microvascular endothelial cell nanofiber membrane neurovascular unit

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Structural effects of sulfonamides on the proliferation dynamics of sulfonamide resistance genes in the sequencing batch reactors and the mechanism

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Journal of Environmental Sciences 2024年第1期135卷 161-173页

作者： Ligui wu Mingyu Wang Lingling Rong Wenbiao Wang Linwei Chen Qiaofeng wu Haoyu sun Xiangfeng Huang Xiaoming Zou College of Environmental Science and Engineering Tongji UniversityShanghai 200092China School of Life Science Jinggangshan UniversityJi’an 343009China Key Laboratory of Organic Compound Pollution Control Engineering(MOE) School of Environmental and Chemical EngineeringShanghai UniversityShanghai 200444China Fuzhou Urban and Rural Construction Group Co.Ltd. Fuzhou 350007China

Antibiotic resistance genes(ARGs)can be easily promoted by antibiotics,however,the structural effects of antibiotics on the proliferation of ARGs dynamic and the associated mechanisms remain obscure in,especially,activated sludge sequencing batch reactors.In the present study,the effects of 9 sulfonamides(SAs)with different structures on the proliferation dynamic of sulfonamide resistance genes(Suls)in the activated sludge sequencing batch reactors and the corresponding mechanisms were determined(30 days),and the results showed that the largest proliferation value(ΔA^(R))of Suls dynamic for SAs(sulfachloropyridazine)was approximately 2.9 times than that of the smallest one(sulfadiazine).The proliferation of Suls was significantly related to the structural features(minHBint6,SssNH,SHBd and SpMax2_Bhm)that represent the biological activity of SAs.To interpret the phenomenon,a mechanistic model was developed and the results indicated that the biodegradation of SAs(T_(1/2))rather than conjugative transfer frequency or mutation frequency tends to be the key process for affecting Suls proliferation.T_(1/2)was proved to be dependent on the interactions between SAs and receptors(E_(binding)),the cleavage mode(bond dissociation energy),and the site of nucleophilic assault.Besides,the metagenomic analysis showed that SAs posed significant effect on antibiotic resistome and Tnp31 played a vital role in the proliferation of Suls.Overall,our findings provide important insight into a theoretical basis for understanding the structural effects of SAs on the proliferation of ARGs in SBR systems.

关键词： Activated sludge Sulfonamides Suls Proliferation Mechanism

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Solubility of iron(Ⅲ) and nickel(Ⅱ) acetylacetonates in supercritical carbon dioxide

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Chinese Journal of Chemical Engineering 2024年第1期65卷 29-34页

作者： Haixin sun Jianlei Qi Jianfei sun Lin Li Kunpeng Yu Jintao wu Jianzhong Yin State Key Laboratory of Fine Chemicals School of Chemical EngineeringDalian University of TechnologyDalian 116024China College of Chemical Engineering Inner Mongolia University of TechnologyHohhot 010051China

As a common precursor for supercritical CO_(2)(scCO_(2))deposition techniques,solubility data of organometallic complexes in scCO_(2)is crucial for the preparation of nanocomposites.Recently,metal acetylacetonates have shown great potential for the preparation of single-atom catalytic materials.In this study,the solubilities of iron(Ⅲ)acetylacetonate(Fe(acac)3)and nickel(Ⅱ)acetylacetonate(Ni(acac)2)were measured at the temperature from 313.15 to 333.15 K and in the pressure range of 9.5–25.2 MPa to accumulate new solubility data.Solubility was measured using a static weight loss method.The semi-empirical models proposed by Chrastil and sung et al.were used to correlate the solubility data of Fe(acac)3 and Ni(acac)2.The equations obtained can be used to predict the solubility of the same system in the experimental range.

关键词： Iron(III)acetylacetonate Nickel(II)acetylacetonate Supercritical carbon dioxide Solubility measurement Correlation model Phase equilibrium

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