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New insights into the deposition of natural gas hydrate on pipeline surfaces:A molecular dynamics simulation study

Petroleum Science 2024年第1期21卷 694-704页

作者： Jun Zhang Hai-Qiang Fu Mu-Zhi Guo zhao Wang li-wen li Qi Yin You-Guo Yan Wei Wei Wei-Feng Han Jie Zhong School of Materials Science and Engineering China University of Petroleum(East China)Qingdao 266580ShandongChina School of Petroleum Engineering China University of Petroleum(East China)Qingdao 266580ShandongChina Department of Alternative Energy PetroChina Research Institute of Petroleum Exploration&DevelopmentLangfang 065007HebeiChina

Natural gas hydrate(NGH)can cause pipeline blockages during the transportation of oil and gas under high pressures and low temperatures.Reducing hydrate adhesion on pipelines is viewed as an efficient way to prevent NGH blockages.Previous studies suggested the water film can greatly increase hydrate adhesion in gas-dominant system.Herein,by performing the molecular dynamics simulations,we find in water-dominant system,the water film plays different roles in hydrate deposition on Fe and its corrosion surfaces.Specifically,due to the strong affinity of water on Fe surface,the deposited hydrate cannot convert the adsorbed water into hydrate,thus,a water film exists.As water affinities decrease(Fe>Fe_(2)O_(3)>FeO>Fe_(3)O_(4)),adsorbed water would convert to amorphous hydrate on Fe_(2)O_(3)and form the ordered hydrate on FeO and Fe_(3)O_(4)after hydrate deposition.While absorbed water film converts to amorphous or to hydrate,the adhesion strength of hydrate continuously increases(Feliquid layer,the process of which becomes harder as liquid layer vanishes.As a result,contrary to gas-dominant system,the water film plays the weakening roles on hydrate adhesion in water-dominant system.Overall,our results can help to better understand the hydrate deposition mechanisms on Fe and its corrosion surfaces and suggest hydrate deposition can be adjusted by changing water affinities on pipeline surfaces.

关键词： Deposition Natural gas hydrate Pipelines Water affinity Adhesion strength

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Regulating ion transport behaviors toward dendrite-free potassium metal batteries:recent advances and perspectives

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Rare Metals 2024年第4期43卷 1435-1460页

作者： Lu-Kang zhao Xuan-wen Gao Tian-Zhen Ren Da Wang Da-Wei Wang zhao-Meng liu Hong Chen wen-Bin Luo School of Metallurgy Northeastern University School of Chemical Engineering The University of New South Wales

With abundant potassium resources and high capacity,potassium metal batteries（PMBs） present a compelling option for the next generation of energy storage technology.However,PMBs suffer from an unstable anode interface caused by uncontrolled dendrite growth,which results in unsatisfactory cyclability and safety concerns.Extensive investigations suggest that significant progress has been made in enhancing the interfacial stability of PMBs.The various effective strategies for stabilizing interfaces can ultimately be attributed to the regulation of the sluggish ion transfer kinetics and irregular deposition,i.e.,the arrangement of ion transport behaviors at the interface.Rational modulation of ions transport rate and ions deposition directions makes it possible to obtain a dendrite-free and smooth deposition plane.Herein,the influencing factors and action mechanism of K+interface transport behaviors are discussed to understand the nature of material design for constructing stable anode interfaces,including regulating the solvation and desolvation structures,accelerating K+transport kinetics and controlling K+deposition direction.In addition,the deficiencies and prospects of the research on electrolyte,separators and designed electrode involved in the manufacturing and testing and ion transport process of PMBs are discussed.This review is expected to provide some possible directions for constructing dendrite-free interfaces in advanced PMBs-related research and offer significant insights for prospective experimental research and commercial applications.

关键词： Ion transport rate Ion transport direction Interface Potassium metal batteries Dendrites growth

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Axial enantiomers with donor-regulated TADF feature for multicolor circularly polarized electroluminescence

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Science China Chemistry 2024年第6期67卷 2039-2045页

作者： Chen-Hao Guo wen-Long zhao Ke-Ke Tan Wei-Chen Guo liheng Feng Chuan-Feng Chen Meng li School of Chemistry and Chemical Engineering Shanxi UniversityTaiyuan030006China Beijing National Laboratory for Molecular Sciences CAS Key Laboratory of Molecular Recognition and FunctionInstitute of ChemistryChinese Academy of SciencesBeijing100190China University of Chinese Academy of Sciences Beijing100049China

This study optimized the TADF feature of axial chiral enantiomers through precise donor engineering,and multicolor CP-TADFwas achieved in the axial chiral framework.Three pairs of axial enantiomers with donor-regulated TADF feature,namely(R/S)-TPCBD,(R/S)-DPCBD,and(R/S)-DPACBD,were synthesized by introducing carbazole donors with different substituents onto biphenyl cyanide acceptors.As the electron-donating ability of donors increases,the emission of these axial enantiomers ranges from 455,476 to 552 nm,their singlet-triplet energy gaps(ΔE_(ST))gradually decrease from 0.30,0.22 to 0.02 e V,accompanied by an increasement in the transition rate(k_(RISC))of RISC process,and the k_(RISC)of DPACBD could reach up to 7.16×10^(5)s^(-1).These axial enantiomers also exhibit mirror-image CD and circularly polarized luminescence(CPL)properties.Moreover,OLEDs based on TPCBD,DPCBD,and DPACBD as emitter were then fabricated,which displayed blue,green,and orange electroluminescence with EQE_(max)of 13.0%,16.4%,and 25.0%,respectively.The results also exhibited a phenomenon of device efficiency increasing with the enhancement of donor abilities.Notably,the CP-OLEDs using(R/S)-TPCBD,(R/S)-DPCBD and(R/S)-DPACBD as emitters displayed intense CPEL signals with g_(EL)values of 3.4×10^(-3)/-4.1×10^(-3),3.2×10^(-3)/-3.1×10^(-3)and2.3×10^(-3)/-2.1×10^(-3),respectively.By convenient molecular engineering of donor regulation in the same molecular skeleton,CP-TADF materials with multicolor CPEL and improved device performance could be conveniently achieved.

关键词： axial chirality thermally activated delayed fluorescence circularly polarized luminescence electroluminescence organic light-emitting diodes

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Chord length sampling correction analysis for dispersion fuel in Monte Carlo simulation

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Nuclear Science and Techniques 2024年第4期35卷 57-64页

作者： zhao-Yu liang Ding She Yu-Tong wen Lei Shi Institute of Nuclear and New Energy Technology(INET) Key Laboratory of Advanced Reactor Engineering and Safety of Ministry of EducationTsinghua UniversityBeijing 100084China

Dispersion fuels,knowned for their excellent safety performance,are widely used in advanced reactors,such as hightemperature gas-cooled reactors.Compared with deterministic methods,the Monte Carlo method has more advantages in the geometric modeling of stochastic media.The explicit modeling method has high computational accuracy and high computational cost.The chord length sampling(CLS)method can improve computational efficiency by sampling the chord length during neutron transport using the matrix chord length?s probability density function.This study shows that the excluded-volume effect in realistic stochastic media can introduce certain deviations into the CLS.A chord length correction approach is proposed to obtain the chord length correction factor by developing the Particle code based on equivalent transmission probability.Through numerical analysis against reference solutions from explicit modeling in the RMC code,it was demonstrated that CLS with the proposed correction method provides good accuracy for addressing the excludedvolume effect in realistic infinite stochastic media.

关键词： Stochastic media Monte Carlo Chord length sampling Excluded-volume effect Chord length correction

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Single-cell transcriptomic atlas of goat ovarian aging

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Journal of Animal Science and Biotechnology 2024年第1期15卷 146-161页

作者： Dejun Xu Shuaifei Song Fuguo Wang Yawen li Ziyuan li Hui Yao Yongju zhao Zhongquan zhao Chongqing Key Laboratory of Herbivore Science College of Animal Science and TechnologySouthwest UniversityChongqing 400715China

Background The ovaries are one of the first organs that undergo degenerative changes earlier in the aging process,and ovarian aging is shown by a decrease in the number and quality of oocytes.However,little is known about the molecular mechanisms of female age-related fertility decline in different types of ovarian cells during aging,especially in goats.Therefore,the aim of this study was to reveal the mechanisms driving ovarian aging in goats at single-cell resolution.Results For the first time,we surveyed the single-cell transcriptomic landscape of over 27,000 ovarian cells from newborn,young and aging goats,and identified nine ovarian cell types with distinct gene-expression signatures.Functional enrichment analysis showed that ovarian cell types were involved in their own unique biological processes,such as Wnt beta-catenin signalling was enriched in germ cells,whereas ovarian steroidogenesis was enriched in granulosa cells(GCs).Further analysis showed that ovarian aging was linked to GCs-specific changes in the antioxidant system,oxidative phosphorylation,and apoptosis.Subsequently,we identified a series of dynamic genes,such as AMH,CRABP2,THBS1 and TIMP1,which determined the fate of GCs.Additionally,FOXO1,SOX4,and HIF1A were identified as significant regulons that instructed the differentiation of GCs in a distinct manner during ovarian aging.Conclusions This study revealed a comprehensive aging-associated transcriptomic atlas characterizing the cell typespecific mechanisms during ovarian aging at the single-cell level and offers new diagnostic biomarkers and potential therapeutic targets for age-related goat ovarian diseases.

关键词： Goat Granulosa cells Ovarian aging Single-cell transcriptomic

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Piezoelectric composite hydrogel with wireless electrical stimulation enhances motor functional recovery of spinal cord injury

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Journal of Materials Science & Technology 2024年第5期172卷 228-239页

作者： Zehao li Guanlin li Xinyu Wang Zheng zhao State Key Laboratory of Advanced Technology for Materials Synthesis and Processing Wuhan University of TechnologyWuhan 430070China Sanya Science and Education Innovation Park of Wuhan University of Technology Sanya 572000China

Electrical stimulation(ES)can restore motor function after spinal cord injury(SCI).However,traditional intraspinal ES has many disadvantages,such as the need for a complex circuitry device,an external power source,and a second surgery to remove the implant.Piezoelectric materials have received increasing at-tention due to their potential to convert ambient mechanical energy into ES without an external power source or implantation of electrodes.Herein,a novel polydopamine(PDA)coated barium titanate(BaTiO_(3))nanoparticles(BaTiO_(3)@PDA)incorporated silk fibroin(SF)hydrogel(SFBT)was established.The SFBT hy-drogel was crosslinked by horseradish peroxidase(HRP)/hydrogel peroxide(H_(2)O_(2))to integrate the piezo-electric potency of BaTiO_(3)with the thermal sensitivity of HRP/H_(2)O_(2)for SCI recovery.The hydrogel con-taining 5%(w/v)BaTiO_(3)@PDA nanoparticles(SFBT-5),which was selected for in vivo study,exhibited a short gelation time(5 min),suitable storage modulus(925±35 Pa),and wireless ES(average current of 124 nA).Moreover,Basso-Beattie-Bresnahan(BBB)scores test and footprint analysis demonstrated that the SFBT-5 hydrogel successfully enhanced motor functional recovery of SCI.In histopathological assess-ments,the SFBT-5 hydrogel significantly accelerated spinal cord healing,as indicated by smaller lesion cavities(∼16.7%of the SCI group).Meanwhile,the SFBT-5 hydrogel accelerated neurogenesis,facilitated axon regrowth and synapse formation,and promoted remyelination.Overall,this study highlights the potential of piezoelectric hydrogels for SCI regeneration.

关键词： Silk fibroin Barium titanate Piezoelectric hydrogel Spinal cord injury Electrical stimulation

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Mitochondria-targeted nano-AIEgens as a powerful inducer for evoking immunogenic cell death

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Chinese Chemical Letters 2024年第5期35卷 338-343页

作者： Kun-Heng li Hong-Yang zhao Dan-Dan Wang Ming-Hui Qi Zi-Jian Xu Jia-Mi li Zhi-li Zhang Shi-wen Huang Key Laboratory of Biomedical Polymers of Ministry of Education Department of ChemistryWuhan UniversityWuhan 430072China

AIEgens can serve as an effective platform for the construction of photosensitizer-based immunogenic cell death(ICD)inducers.To date,several mitochondria or endoplasmic reticulum(ER)-targeted aggregationinduced emission(AIE)molecules have been developed and have evoked massive ICD in cells.However,due to the complex physicochemical environment in cells,these small AIE molecules cannot maintain a stable aggregate state,which not only affects the fluorescence intensity of the photosensitizer but also decreases the generation of reactive oxygen species(ROS),and thus reducing the effect of the photosensitizer to elicit ICD.AIEgen-based nanomicelles,which maintain a stable micellar structure,can prevent defects of AIE molecules in photodynamic therapy(PDT)applications.Therefore,in this study,a mitochondria-targeted AIE nanophotosensitizer was synthesized and used as a highly potent ICD inducer for vaccine preparation and tumor prevention.

关键词： Aggregation induced emission Photodynamic therapy Immunogenic cell death Reactive oxygen species Nanophotosensitizer Mitochondria

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Artificial intelligence-assisted repair of peripheral nerve injury: a new research hotspot and associated challenges

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Neural Regeneration Research 2024年第3期19卷 663-670页

作者： Yang Guo liying Sun wenyao Zhong Nan Zhang Zongxuan zhao wen Tian Department of Hand Surgery Beijing Jishuitan HospitalBeijingChina

Artificial intelligence can be indirectly applied to the repair of peripheral nerve injury.Specifically,it can be used to analyze and process data regarding peripheral nerve injury and repair,while study findings on peripheral nerve injury and repair can provide valuable data to enrich artificial intelligence algorithms.To investigate advances in the use of artificial intelligence in the diagnosis,rehabilitation,and scientific examination of peripheral nerve injury,we used CiteSpace and VOSviewer software to analyze the relevant literature included in the Web of Science from 1994–2023.We identified the following research hotspots in peripheral nerve injury and repair:(1)diagnosis,classification,and prognostic assessment of peripheral nerve injury using neuroimaging and artificial intelligence techniques,such as corneal confocal microscopy and coherent anti-Stokes Raman spectroscopy;(2)motion control and rehabilitation following peripheral nerve injury using artificial neural networks and machine learning algorithms,such as wearable devices and assisted wheelchair systems;(3)improving the accuracy and effectiveness of peripheral nerve electrical stimulation therapy using artificial intelligence techniques combined with deep learning,such as implantable peripheral nerve interfaces;(4)the application of artificial intelligence technology to brain-machine interfaces for disabled patients and those with reduced mobility,enabling them to control devices such as networked hand prostheses;(5)artificial intelligence robots that can replace doctors in certain procedures during surgery or rehabilitation,thereby reducing surgical risk and complications,and facilitating postoperative recovery.Although artificial intelligence has shown many benefits and potential applications in peripheral nerve injury and repair,there are some limitations to this technology,such as the consequences of missing or imbalanced data,low data accuracy and reproducibility,and ethical issues(e.g.,privacy,data security,research transparency).Future re

关键词： artificial intelligence artificial prosthesis medical-industrial integration brain-machine interface deep learning machine learning networked hand prosthesis neural interface neural network neural regeneration peripheral nerve

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Ferrihydrite transformation impacted by coprecipitation of lignin:Inhibition or facilitation?

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Journal of Environmental Sciences 2024年第5期139卷 23-33页

作者： lin liu Zhihui Yang Weichun Yang wen Jiang Qi liao Mengying Si Feiping zhao School of Metallurgy and Environment Central South UniversityChangsha 410083China Chinese National Engineering Research Center for Control&Treatment of Heavy Metal Pollution(CNERC-CTHMP) Changsha 410083China

lignin is a common soil organic matter that is present in soils,but its effect on the transformation of ferrihydrite(Fh)remains unclear.Organic matter is generally assumed to inhibit Fh transformation.However,lignin can reduce Fh to Fe(Ⅱ),in which Fe(Ⅱ)-catalyzed Fh transformation occurs.Herein,the effects of lignin on Fh transformation were investigated at 75℃ as a function of the lignin/Fh mass ratio(0-0.2),pH(4-8)and aging time(0-96 hr).The results of Fh-lignin samples(mass ratios=0.1)aged at different pH values showed that for Fh-lignin the time of Fh transformation into secondary crystalline minerals was significantly shortened at pH 6 when compared with pure Fh,and the Fe(Ⅱ)-accelerated transformation of Fh was strongly dependent on pH.Under pH 6,at low lignin/Fh mass ratios(0.05-0.1),the time of secondary mineral formation decreased with increasing lignin content.For high lignosulfonate-content material(lignin:Fh=0.2),Fh did not transform into secondary minerals,indicating that lignin content plays a major role in Fh transformation.In addition,lignin affected the pathway of Fh transformation by inhibiting goethite formation and facilitating hematite formation.The effect of coprecipitation of lignin on Fh transformation should be useful in understanding the complex iron and carbon cycles in a soil environment.

关键词： Ferrihydrite transformation lignin Hematite Goethite Fe(Ⅱ)-catalyzed Reactive Fe(Ⅲ)species

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Glutamicibacter nicotianae AT6:A new strain for the efficient biodegradation of tilmicosin

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Journal of Environmental Sciences 2024年第8期142卷 182-192页

作者： Huijuan li Hao Zhou liling Fan Long Meng Yanyun zhao Lanmei zhao Bo Wang College of Chemical and Biological Engineering Shandong University of Science and TechnologyQingdao 266590China College of Chemistry and Chemical Engineering Heze UniversityHeze 274015China College of Safety and Environmental Engineering Shandong University of Science and TechnologyQingdao 266590China

The degradation of tilmicosin(TLM),a semi-synthetic 16-membered macrolide antibiotic,has been receiving increasing attention.Conventionally,there are three tilmicosin degradation methods,and among them microbial degradation is considered the best due to its high efficiency,eco-friendliness,and low cost.Coincidently,we found a new strain,Glutamicibacter nicotianae sp.AT6,capable of degrading high-concentration TLM at 100 mg/L with a 97%removal efficiency.The role of tryptone was as well investigated,and the results revealed that the loading of tryptone had a significant influence on TLM removals.The toxicity assessment indicated that strain AT6 could efficiently convert TLM into less-toxic substances.Based on the identified intermediates,the degradation of TLM by AT6 processing through two distinct pathways was then proposed.

关键词： Tilmicosin Glutamicibacter nicotianae Biodegradation Degradation pathway Pharmaceutical wastewater

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