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Valorization of Camellia oleifera oil processing byproducts to value-added chemicals and biobased materials: A critical review 被引量:1
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作者 Xudong Liu Yiying Wu +11 位作者 Yang Gao Zhicheng Jiang Zicheng Zhao Wenquan Zeng Mingyu Xie Sisi Liu Rukuan Liu Yan Chao Suli Nie Aihua Zhang Changzhu Li Zhihong Xiao 《Green Energy & Environment》 SCIE EI CAS CSCD 2024年第1期28-53,共26页
The C.oleifera oil processing industry generates large amounts of solid wastes,including C.oleifera shell(COS)and C.oleifera cake(COC).Distinct from generally acknowledged lignocellulosic biomass(corn stover,bamboo,bi... The C.oleifera oil processing industry generates large amounts of solid wastes,including C.oleifera shell(COS)and C.oleifera cake(COC).Distinct from generally acknowledged lignocellulosic biomass(corn stover,bamboo,birch,etc.),Camellia wastes contain diverse bioactive substances in addition to the abundant lignocellulosic components,and thus,the biorefinery utilization of C.oleifera processing byproducts involves complicated processing technologies.This reviewfirst summarizes various technologies for extracting and converting the main components in C.oleifera oil processing byproducts into value-added chemicals and biobased materials,as well as their potential applications.Microwave,ultrasound,and Soxhlet extractions are compared for the extraction of functional bioactive components(tannin,flavonoid,saponin,etc.),while solvothermal conversion and pyrolysis are discussed for the conversion of lignocellulosic components into value-added chemicals.The application areas of these chemicals according to their properties are introduced in detail,including utilizing antioxidant and anti-in-flammatory properties of the bioactive substances for the specific application,as well as drop-in chemicals for the substitution of unrenewable fossil fuel-derived products.In addition to chemical production,biochar fabricated from COS and its applications in thefields of adsorption,supercapacitor,soil remediation and wood composites are comprehensively reviewed and discussed.Finally,based on the compositions and structural characteristics of C.oleifera byproducts,the development of full-component valorization strategies and the expansion of the appli-cationfields are proposed. 展开更多
关键词 Camellia oleifera shell Camellia oleifera cake value-added chemicals Bioactive components Biobased materials
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Artificial photosynthesis for high-value-added chemicals:Old material,new opportunity 被引量:6
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作者 Sungsoon Kim Kwang Hee Kim +2 位作者 Cheoulwoo Oh Kan Zhang Jong Hyeok Park 《Carbon Energy》 SCIE CAS 2022年第1期21-44,共24页
Solar energy utilization has drawn attention due to ever-increasing environmental and energy issues.Photoelectrochemical(PEC)and photocatalytic(PC)water splitting for hydrogen production,which is the most popular and ... Solar energy utilization has drawn attention due to ever-increasing environmental and energy issues.Photoelectrochemical(PEC)and photocatalytic(PC)water splitting for hydrogen production,which is the most popular and well-established solar-to-chemical conversion process,has been studied thoroughly to date but is now facing limitations related to low conversion efficiency.To resolve this issue,research in PEC cells or photocatalysts has recently aimed to produce alternative value-added chemicals by modifying their redox reactions,which potentially enables high economic reward to compensate for the low efficiency.Here,various kinds of redox reactions that decouple classic water splitting reactions to produce value-added chemicals via PEC and PC processes are introduced.Successful coupling of CO_(2) reduction,O_(2) reduction and organic synthesis with either water oxidation or water reduction is comprehensively discussed from the perspective of basic fundamental and product selectivity in terms of the band structure of materials,cocatalyst design,and thermodynamics and kinetics of the reactions.Throughout the review,future challenges and opportunities are suggested with respect to the redesigned artificial synthesis,which might be an alternative development for the commercialization of PEC or PC value-added chemical production technologies in the near future. 展开更多
关键词 artificial photosynthesis PHOTOCATALYSTS photoelectrochemical cells redox reactions value-added chemical production
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A direct polymeric carbon nitride/tungsten oxide Z-scheme heterostructure for efficient photocatalytic hydrogen generation via reforming of plastics into value-added chemicals
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作者 Rui-Zhe Wang Zhi Lin +5 位作者 Yi-Qing Wang Kai-Ni Zhang Ge-Hong Zhang Jie Zhang Samuel S.Mao Shao-Hua Shen 《Rare Metals》 SCIE EI CAS CSCD 2024年第8期3771-3783,共13页
To promote charge transfer and separation for efficient photocatalysis,a direct Z-scheme heterostructure was constructed by coupling polymeric carbon nitride(PCN) and WO_(3).Interestingly,the obtained PCN/WO_(3)Z-sche... To promote charge transfer and separation for efficient photocatalysis,a direct Z-scheme heterostructure was constructed by coupling polymeric carbon nitride(PCN) and WO_(3).Interestingly,the obtained PCN/WO_(3)Z-scheme heterostructure could photocataly tic ally produce hydrogen and value-added chemicals(e.g.,formate and acetate) by reforming of plastic polylactic acid(PLA) in alkaline aqueous condition.By optimizing WO_(3) contents and reaction conditions,the obtained PCN/WO_(3)heterostructure exhibits much increased photocatalytic activity for PLA photoreforming under visible light,with hydrogen evolution rate reaching 402.90 μmol·g~(-1)·h~(-1),which is 3.5 times that of PCN.It is revealed that the Z-scheme charge transfer between PCN and WO_(3) mainly contributes to the promoted charge separation and thus the improved photocatalytic activity.Moreover,with h+and·OH experimentally evidenced as the predominant active species,a possible reaction pathway for the reforming of PLA into value-added chemicals(e.g.,formate and acetate)over PCN/WO_(3) Z-scheme heterostructure is cleared by monitoring the reaction intermediates and radicals.This work paves a carbon neutrality and scalable route toward the synergistical production of hydrogen and value-added chemicals by utilizing and recycling plastic waste. 展开更多
关键词 Carbon nitride Z-scheme heterojunction Plastic waste conversion Photocatalytic H_(2)production value-added chemicals
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Engineering the native methylotrophs for the bioconversion of methanol to value-added chemicals:current status and future perspectives 被引量:2
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作者 Jing Wang Ruirui Qin +4 位作者 Yuanke Guo Chen Ma Xin Wang Kequan Chen Pingkai Ouyang 《Green Chemical Engineering》 EI CSCD 2023年第2期199-211,共13页
Methanol is becoming an attractive fermentation feedstock for large-scale bioproduction of chemicals,due to its natural abundance and mature production technology.Native methylotrophs,which can utilize methanol as the... Methanol is becoming an attractive fermentation feedstock for large-scale bioproduction of chemicals,due to its natural abundance and mature production technology.Native methylotrophs,which can utilize methanol as the only source of carbon and energy,are ideal hosts for methanol bioconversion due to their high methanol utili-zation rate and have been extensively employed in the production of value-added chemicals from methanol.Here,we review the natural methanol utilization pathways in native methylotrophs,describing the available synthetic biology tools developed for engineering native methylotrophs,and discuss the strategies for improving their methanol utilization efficiency.Finally,the representative examples of engineering the native methylotrophs to produce value-added products from methanol are summarized.Furthermore,we also discuss the major challenges and possible solutions for the application of native methylotrophs in methanol-based biomanufacturing. 展开更多
关键词 Native methylotrophs METHANOL Biomanufacturing value-added chemicals
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Converting textile waste into value-added chemicals:An integrated bio-refinery process 被引量:1
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作者 Eun Jin Cho Yoon Gyo Lee +3 位作者 Younho Song Ha Yeon Kim Dinh-Truong Nguyen Hyeun-Jong Bae 《Environmental Science and Ecotechnology》 SCIE 2023年第3期66-76,共11页
The rate of textile waste generation worldwide has increased dramatically due to a rise in clothing consumption and production.Here,conversion of cotton-based,colored cotton-based,and blended cotton-polyethylene terep... The rate of textile waste generation worldwide has increased dramatically due to a rise in clothing consumption and production.Here,conversion of cotton-based,colored cotton-based,and blended cotton-polyethylene terephthalate(PET)textile waste materials into value-added chemicals(bioethanol,sorbitol,lactic acid,terephthalic acid(TPA),and ethylene glycol(EG))via enzymatic hydrolysis and fermentation was investigated.In order to enhance the efficiency of enzymatic saccharification,effective pretreatment methods for each type of textile waste were developed,respectively.A high glucose yield of 99.1%was obtained from white cotton-based textile waste after NaOH pretreatment.Furthermore,the digestibility of the cellulose in colored cotton-based textile wastes was increased 1.38e1.75 times because of the removal of dye materials by HPAC-NaOH pretreatment.The blended cottonPET samples showed good hydrolysis efficiency following PET removal via NaOHeethanol pretreatment,with a glucose yield of 92.49%.The sugar content produced via enzymatic hydrolysis was then converted into key platform chemicals(bioethanol,sorbitol,and lactic acid)via fermentation or hydrogenation.The maximum ethanol yield was achieved with the white T-shirt sample(537 mL/kg substrate),which was 3.2,2.1,and 2.6 times higher than those obtained with rice straw,pine wood,and oak wood,respectively.Glucose was selectively converted into sorbitol and LA at a yield of 70%and 83.67%,respectively.TPA and EG were produced from blended cottonPET via NaOHeethanol pretreatment.The integrated biorefinery process proposed here demonstrates significant potential for valorization of textile waste. 展开更多
关键词 Textile waste value-added biochemicals Integrated biorefinery BIOETHANOL Lactic acid
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Co-electrolysis toward value-added chemicals 被引量:1
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作者 Lisong Chen Jianlin Shi 《Science China Materials》 SCIE EI CAS CSCD 2022年第1期1-9,共9页
Current major electrocatalytic reactions,such as hydrogen evolution reaction,carbon dioxide reduction reaction,and nitrogen reduction reaction,focus on single-target chemical production,which suffers from strong compe... Current major electrocatalytic reactions,such as hydrogen evolution reaction,carbon dioxide reduction reaction,and nitrogen reduction reaction,focus on single-target chemical production,which suffers from strong competitive reactions at the same electrodes and/or high energy barrier reactions at the counterpart electrodes.The co-electrolysis of more than one kind,typically two kinds,of chemical precursors in one electrolytic system is therefore a highly attractive strategy for both energy input reduction and concurrent production of double value-added chemicals.Exciting progress has been achieved in this area recently,and a timely review on this specific topic will be highly desired.In this review,the reported co-electrolysis systems are classified into four categories:(1)agent sacrificing at one electrode promoting electrochemical precursor conversion at the other;(2)parallel electrochemical precursor conversions,i.e.,electrosyntheses,simultaneously at both sides;(3)electrochemical conversions of two precursors at both sides into one/the same product;(4)double/multiple electrochemical conversions at one side.The current challenges and future opportunities of co-electrolysis toward high value-added products are discussed at the end. 展开更多
关键词 co-electrolysis value-added chemicals ELECTROCATALYSTS
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Jet formation and penetration performance of a double-layer charge liner with chemically-deposited tungsten as the inner liner 被引量:1
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作者 Bihui Hong Wenbin Li +2 位作者 Yiming Li Zhiwei Guo Binyou Yan 《Defence Technology(防务技术)》 SCIE EI CAS CSCD 2024年第3期374-385,共12页
This paper proposes a type of double-layer charge liner fabricated using chemical vapor deposition(CVD)that has tungsten as its inner liner.The feasibility of this design was evaluated through penetration tests.Double... This paper proposes a type of double-layer charge liner fabricated using chemical vapor deposition(CVD)that has tungsten as its inner liner.The feasibility of this design was evaluated through penetration tests.Double-layer charge liners were fabricated by using CVD to deposit tungsten layers on the inner surfaces of pure T2 copper liners.The microstructures of the tungsten layers were analyzed using a scanning electron microscope(SEM).The feasibility analysis was carried out by pulsed X-rays,slug-retrieval test and static penetration tests.The shaped charge jet forming and penetration law of inner tungsten-coated double-layer liner were studied by numerical simulation method.The results showed that the double-layer liners could form well-shaped jets.The errors between the X-ray test results and the numerical results were within 11.07%.A slug-retrieval test was found that the retrieved slug was similar to a numerically simulated slug.Compared with the traditional pure copper shaped charge jet,the penetration depth of the double-layer shaped charge liner increased by 11.4% and>10.8% respectively.In summary,the test results are good,and the numerical simulation is in good agreement with the test,which verified the feasibility of using the CVD method to fabricate double-layer charge liners with a high-density and high-strength refractory metal as the inner liner. 展开更多
关键词 Shaped charge chemical vapor deposition TUNGSTEN Double-layer charge liner X-ray PENETRATION
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A novel method for simulating nuclear explosion with chemical explosion to form an approximate plane wave: Field test and numerical simulation 被引量:1
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作者 Wei Ming Xiaojie Yang +3 位作者 Yadong Mao Xiang Wang Manchao He Zhigang Tao 《Journal of Rock Mechanics and Geotechnical Engineering》 SCIE CSCD 2024年第6期2137-2153,共17页
A nuclear explosion in the rock mass medium can produce strong shock waves,seismic shocks,and other destructive effects,which can cause extreme damage to the underground protection infrastructures.With the increase in... A nuclear explosion in the rock mass medium can produce strong shock waves,seismic shocks,and other destructive effects,which can cause extreme damage to the underground protection infrastructures.With the increase in nuclear explosion power,underground protection engineering enabled by explosion-proof impact theory and technology ushered in a new challenge.This paper proposes to simulate nuclear explosion tests with on-site chemical explosion tests in the form of multi-hole explosions.First,the mechanism of using multi-hole simultaneous blasting to simulate a nuclear explosion to generate approximate plane waves was analyzed.The plane pressure curve at the vault of the underground protective tunnel under the action of the multi-hole simultaneous blasting was then obtained using the impact test in the rock mass at the site.According to the peak pressure at the vault plane,it was divided into three regions:the stress superposition region,the superposition region after surface reflection,and the approximate plane stress wave zone.A numerical simulation approach was developed using PFC and FLAC to study the peak particle velocity in the surrounding rock of the underground protective cave under the action of multi-hole blasting.The time-history curves of pressure and peak pressure partition obtained by the on-site multi-hole simultaneous blasting test and numerical simulation were compared and analyzed,to verify the correctness and rationality of the formation of an approximate plane wave in the simulated nuclear explosion.This comparison and analysis also provided a theoretical foundation and some research ideas for the ensuing study on the impact of a nuclear explosion. 展开更多
关键词 Approximate plane wave Multi-hole simultaneous blasting chemical explosion Nuclear explosion Pressure sensor inclusion
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Upcycling plastic wastes into value-added products via electrocatalysis and photoelectrocatalysis
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作者 Sungsoon Kim Dongjae Kong +1 位作者 Xiaolin Zheng Jong Hyeok Park 《Journal of Energy Chemistry》 SCIE EI CAS CSCD 2024年第4期522-541,共20页
Plastic,renowned for its versatility,durability,and cost-effectiveness,is indispensable in modern society.Nevertheless,the annual production of nearly 400 million tons of plastic,coupled with a recycling rate of only ... Plastic,renowned for its versatility,durability,and cost-effectiveness,is indispensable in modern society.Nevertheless,the annual production of nearly 400 million tons of plastic,coupled with a recycling rate of only 9%,has led to a monumental environmental crisis.Plastic recycling has emerged as a vital response to this crisis,offering sustainable solutions to mitigate its environmental impact.Among these recycling efforts,plastic upcycling has garnered attention,which elevates discarded plastics into higher-value products.Here,electrocatalytic and photoelectrocatalytic treatments stand at the forefront of advanced plastic upcycling.Electrocatalytic or photoelectrocatalytic treatments involve chemical reactions that facilitate electron transfer through the electrode/electrolyte interface,driven by electrical or solar energy,respectively.These methods enable precise control of chemical reactions,harnessing potential,current density,or light to yield valuable chemical products.This review explores recent progress in plastic upcycling through electrocatalytic and photoelectrocatalytic pathways,offering promising solutions to the plastic waste crisis and advancing sustainability in the plastics industry. 展开更多
关键词 Plastic upcycling Electrocatalytic reaction Photoelectrocatalytic reaction value-added product
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Experimental investigation into effects of the natural polymer and nanoclay particles on the EOR performance of chemical flooding in carbonate reservoirs
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作者 Amir Mohammad Zamani Ashkan Moslemi Kamran Hassani 《Petroleum Science》 SCIE EI CAS CSCD 2024年第2期951-961,共11页
This paper aims to investigate the tragacanth gum potential as a natural polymer combined with natural clay mineral(montmorillonite,kaolinite,and illite)nanoparticles(NPs)to form NP-polymer suspension for enhanced oil... This paper aims to investigate the tragacanth gum potential as a natural polymer combined with natural clay mineral(montmorillonite,kaolinite,and illite)nanoparticles(NPs)to form NP-polymer suspension for enhanced oil recovery(EOR)in carbonate reservoirs.Thermal gravimetric analysis(TGA)tests were conducted initially in order to evaluate the properties of tragacanth gum.Subsequently,scanning electron microscopy(SEM)and energy-dispersive X-ray(EDX)tests were used to detect the structure of clay particles.In various scenarios,the effects of natural NPs and polymer on the wettability alteration,interfacial tension(IFT)reduction,viscosity improvement,and oil recovery were investigated through contact angle system,ring method,Anton Paar viscometer,and core flooding tests,respectively.The entire experiment was conducted at 25,50,and 75℃,respectively.According to the experimental results,the clay minerals alone did not have a significant effect on viscosity,but the addition of minerals to the polymer solution leads to the viscosity enhancement remarkably,resulting mobility ratio improvement.Among clay NPs,the combination of natural polymer and kaolinite results in increased viscosity at all temperatures.Considerable wettability alteration was also observed in the case of natural polymer and illite NPs.Illite in combination with natural polymer showed an ability in reducing IFT.Finally,the results of displacement experiments revealed that the combination of natural polymer and kaolinite could be the best option for EOR due to its substantial ability to improve the recovery factor. 展开更多
关键词 chemical flooding Tragacanth gum Clay nanoparticle WETTABILITY IFT
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Rational design of F,N-rich artificial interphase via chemical prelithiation initiation strategy enabling high coulombic efficiency and stable micro-sized SiO anodes
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作者 Quanyan Man Hengtao Shen +3 位作者 Chuanliang Wei Baojuan Xi Shenglin Xiong Jinkui Feng 《Journal of Energy Chemistry》 SCIE EI CAS CSCD 2024年第5期224-232,共9页
Silicon monoxide(SiO)is regarded as a potential candidate for anode materials of lithium-ion batteries(LIBs).Unfortunately,the application of SiO is limited by poor initial Coulombic efficiency(ICE)and unsteady solid ... Silicon monoxide(SiO)is regarded as a potential candidate for anode materials of lithium-ion batteries(LIBs).Unfortunately,the application of SiO is limited by poor initial Coulombic efficiency(ICE)and unsteady solid electrolyte interface(SEI),which induce low energy,short cycling life,and poor rate properties.To address these drawbacks of SiO,we achieve in-situ construction of robust and fast-ion conducting F,N-rich SEI layer on prelithiated micro-sized SiO(P-μSiO)via the simple and continuous treatment ofμSiO in mild lithium 4,4′-dimethylbiphenyl solution and nonflammable hexafluorocyclotriphosphazene solution.Chemical prelithiation eliminates irreversible capacity through pre-forming inactive lithium silicates.Meanwhile,the symbiotic F,N-rich SEI with good mechanical stability and fast Li^(+)permeability is conductive to relieve volume expansion ofμSiO and boost the Li+diffusion kinetics.Consequently,the P-μSiO realizes an impressive electrochemical performance with an elevated ICE of 99.57%and a capacity retention of 90.67%after 350 cycles.Additionally,the full cell with P-μSiO anode and commercial LiFePO_(4) cathode displays an ICE of 92.03%and a high reversible capacity of 144.97 mA h g^(-1).This work offers a general construction strategy of robust and ionically conductive SEI for advanced LIBs. 展开更多
关键词 chemical prelithiation Silicon monoxide SEI Lithium-ion batteries INTERPHASE engineering
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Geochemical characteristics and environmental implications of loess sequences in the Loess
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作者 ZHANG Jialin ZHAO Zhongqiang +5 位作者 XIA Dinghong LI Zhenyang ZENG Liyuan HE Hongming SONG Yinxian CHEN Zhong 《High Technology Letters》 EI CAS 2024年第3期310-321,共12页
The major,trace,and rare earth elements of the Duanjiapo(DJP)section in the south of the Loess Plateau,the Jiaxian(JX)section in the north,and the Jiuzhoutai(JZT)section in the west are studied.The results show that t... The major,trace,and rare earth elements of the Duanjiapo(DJP)section in the south of the Loess Plateau,the Jiaxian(JX)section in the north,and the Jiuzhoutai(JZT)section in the west are studied.The results show that the main elemental characteristics of loess in three profiles are consistent with the upper continental crust(UCC).In terms of trace elements,Th,Nb,Zr,Hf,Y,Cs,W,Cr,V,Li,and Pb show relative enrichment compared with UCC;Rb,Ba,Sr and Be exhibit relative depletion.The average ofΣREE is 171.91ppm with a negative anomaly forδEu and essentially no anomaly forδCe.The results of K_(2)O/Na_(2)O,Rb/Sr ratios,as well as the leaching co-efficient from three profiles,indicate DJP>JX>JZT,suggesting that DJP experiences the strongest weathering leaching effect.The chemical index of alteration(CIA)reveals that all three profiles of loess are in the primary stage of Ca and Na depletion.DJP is generally in the early to moderate stage of chemical weathering,while JX and JZT are both in the early stage. 展开更多
关键词 LOESS chemical weathering element geochemistry chemical index of alteration(CIA)
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Extraction,chemical components,bioactive functions and adulteration identification of walnut oils:A review
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作者 Yuan Gao Jia Hu +6 位作者 Xia Su Qi Li Caihong Su Yongling Li Gaiqin Ma Siyu Zhang Xiuzhu Yu 《Grain & Oil Science and Technology》 CAS 2024年第1期30-41,共12页
Walnut oil is a functional wood oil known to researchers that may potentially be a large source of Chinese edible oils.There are various extraction methods for walnut oil,including traditional(pressing,solvent-and enz... Walnut oil is a functional wood oil known to researchers that may potentially be a large source of Chinese edible oils.There are various extraction methods for walnut oil,including traditional(pressing,solvent-and enzymeassisted extraction)and novel methods(microwave,ultrasound,supercritical CO_(2),subcritical and other extraction technologies).Walnut oil is rich in nutrients,including phytosterols,tocopherols,polyphenols,squalene and minerals.It provides many health benefits,such as antioxidant,antitumor,anti-inflammatory,antidiabetic and lipid metabolism-related functions.In addition,the authentication of walnut oil has received much research attention.The present review provides detailed research on walnut oil extraction,composition,health benefits and adulteration identification methods.The path toward further walnut oil improvement in the context of the market value of walnut oil is also discussed. 展开更多
关键词 Extraction technology chemical composition Bioactive AUTHENTICATION
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Causal temporal graph attention network for fault diagnosis of chemical processes
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作者 Jiaojiao Luo Zhehao Jin +3 位作者 Heping Jin Qian Li Xu Ji Yiyang Dai 《Chinese Journal of Chemical Engineering》 SCIE EI CAS CSCD 2024年第6期20-32,共13页
Fault detection and diagnosis(FDD)plays a significant role in ensuring the safety and stability of chemical processes.With the development of artificial intelligence(AI)and big data technologies,data-driven approaches... Fault detection and diagnosis(FDD)plays a significant role in ensuring the safety and stability of chemical processes.With the development of artificial intelligence(AI)and big data technologies,data-driven approaches with excellent performance are widely used for FDD in chemical processes.However,improved predictive accuracy has often been achieved through increased model complexity,which turns models into black-box methods and causes uncertainty regarding their decisions.In this study,a causal temporal graph attention network(CTGAN)is proposed for fault diagnosis of chemical processes.A chemical causal graph is built by causal inference to represent the propagation path of faults.The attention mechanism and chemical causal graph were combined to help us notice the key variables relating to fault fluctuations.Experiments in the Tennessee Eastman(TE)process and the green ammonia(GA)process showed that CTGAN achieved high performance and good explainability. 展开更多
关键词 chemical processes Safety Fault diagnosis Causal discovery Attention mechanism Explainability
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The chemical environment and structural ordering in liquid Mg-Y-Zn system:An ab-initio molecular dynamics investigation of melt for the formation mechanism of LPSO structure
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作者 Tangpeng Ma Jin Wang +5 位作者 Kaiming Cheng Chengwei Zhan Jixue Zhou Jingyu Qin Guochen Zhao Xinfang Zhang 《Journal of Magnesium and Alloys》 SCIE EI CAS CSCD 2024年第2期815-824,共10页
In an effort to clarify the formation mechanism of LPSO structure in Mg-Y-Zn alloy,the chemical environment and structural ordering in liquid Mg-rich Mg-Y-Zn system are investigated with the aid of ab-initio molecular... In an effort to clarify the formation mechanism of LPSO structure in Mg-Y-Zn alloy,the chemical environment and structural ordering in liquid Mg-rich Mg-Y-Zn system are investigated with the aid of ab-initio molecular dynamics simulation.In liquid Mg-rich Mg-Y alloys,the strong Mg-Y interaction is determined,which promotes the formation of fivefold symmetric local structure.For Mg-Zn alloys,the weak Mg-Zn interaction results in the fivefold symmetry weakening in the liquid structure.Due to the coexistence of Y and Zn,the strong attractive interaction is introduced in liquid Mg-Y-Zn ternary alloy,and contributes to the clustering of Mg,Y,Zn launched from Zn.What is more,the distribution of local structures becomes closer to that in pure Mg compared with that in binary Mg-Y and Mg-Zn alloys.These results should relate to the origins of the Y/Zn segregation zone and close-packed stacking mode in LPSO structure,which provides a new insight into the formation mechanism of LPSO structure at atomic level. 展开更多
关键词 Mg-Y-Zn chemical environment Structural ordering ab-initio molecular dynamics
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Plant Chemical Defenses against Insect Herbivores—Using theWild Tobacco as a Model
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作者 Guangwei Sun Xuanhao Zhang +4 位作者 Yi Liu Liguang Chai Daisong Liu Zhenguo Chen Shiyou Lü 《Phyton-International Journal of Experimental Botany》 SCIE 2024年第4期641-659,共19页
The Nicotiana genus, commonly known as tobacco, holds significant importance as a crucial economic crop. Confrontedwith an abundance of herbivorous insects that pose a substantial threat to yield, tobacco has develope... The Nicotiana genus, commonly known as tobacco, holds significant importance as a crucial economic crop. Confrontedwith an abundance of herbivorous insects that pose a substantial threat to yield, tobacco has developed adiverse and sophisticated array of mechanisms, establishing itself as a model of plant ecological defense. Thisreview provides a concise overview of the current understanding of tobacco’s defense strategies against herbivores.Direct defenses, exemplified by its well-known tactic of secreting the alkaloid nicotine, serve as a potent toxinagainst a broad spectrum of herbivorous pests. Moreover, in response to herbivore attacks, tobacco enhancesthe discharge of volatile compounds, harnessing an indirect strategy that attracts the predators of the herbivores.The delicate balance between defense and growth leads to the initiation of most defense strategies only after aherbivore attack. Among plant hormones, notably jasmonic acid (JA), play central roles in coordinating thesedefense processes. JA signaling interacts with other plant hormone signaling pathways to facilitate the extensivetranscriptional and metabolic adjustments in plants following herbivore assault. By shedding light on these ecologicaldefense strategies, this review emphasizes not only tobacco’s remarkable adaptability in its natural habitatbut also offers insights beneficial for enhancing the resilience of current crops. 展开更多
关键词 TOBACCO HERBIVORE chemical defense jasmonic acid REGULATION
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Expanding the Boundaries of the Chemical Space of DNA Methyltransferase 1 Modulators
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作者 Massyel S. Martínez-Cortés Diana L. Prado-Romero José L. Medina-Franco 《Computational Molecular Bioscience》 2024年第1期1-16,共16页
DNA methyltransferase 1 (DNMT1), one of the main epigenetic targets, is involved in the duplication of the DNA methylation pattern during replication, and it is essential for proper mammalian development. Small molecu... DNA methyltransferase 1 (DNMT1), one of the main epigenetic targets, is involved in the duplication of the DNA methylation pattern during replication, and it is essential for proper mammalian development. Small molecule DNMT1 modulators are attractive for biochemical epigenetic studies and have the potential to become drugs. So far, more than five hundred small molecules have been reported as DNMT1 inhibitors. However, only a limited number of DNMT1 activators have been disclosed because, at least in part, DNMT1 activators are typically regarded as negative data in virtual screening campaigns or optimization projects. This manuscript aims to report the chemical structures and biological activity of small molecules that increase the enzymatic activity of DNMT1. Results of the biochemical experimental assays are discussed. It was found that small molecule activators have a large variety of chemical scaffolds but share pharmacophore features. Visual analysis of the chemical space and multiverse based on molecular fingertips supported that activators are structurally diverse. This is the first report of eight small molecules that increase the enzymatic activity of DNMT1 by more than 400% in an enzymatic-based assay. The outcome warrants further investigation of the epigenetic activity of the compounds in a counter-screen assay, e.g., cell-based and in vivo context. 展开更多
关键词 chemical Multiverse CHEMOINFORMATICS EPIGENETICS Pharmacophore Hypothesis Small Molecules
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Chemical looping reforming of the micromolecular component from biomass pyrolysis via Fe_(2)O_(3)@SBA-16
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作者 Yunchang Li Bo Zhang +3 位作者 Xiantan Yang Bolun Yang Shengyong Zhang Zhiqiang Wu 《International Journal of Coal Science & Technology》 EI CAS CSCD 2024年第3期120-134,共15页
To solve the problems of low gasification efficiency and high tar content caused by solid–solid contact between biomass and oxygen carrier in traditional biomass chemical looping gasification process.The decoupling s... To solve the problems of low gasification efficiency and high tar content caused by solid–solid contact between biomass and oxygen carrier in traditional biomass chemical looping gasification process.The decoupling strategy was adopted to decouple the biomass gasification process,and the composite oxygen carrier was prepared by embedding Fe_(2)O_(3) in molecular sieve SBA-16 for the chemical looping reforming process of pyrolysis micromolecular model compound methane,which was expected to realize the directional reforming of pyrolysis volatiles to prepare hydrogen-rich syngas.Thermodynamic analysis of the reaction system was carried out based on the Gibbs free energy minimization method,and the reforming performance was evaluated by a fixed bed reactor,and the kinetic parameters were solved based on the gas–solid reaction model.Thermodynamic analysis verified the feasibility of the reaction and provided theoretical guidance for experimental design.The experimental results showed that the reaction performance of Fe_(2)O_(3)@SBA-16 was compared with that of pure Fe_(2)O_(3) and Fe_(2)O_(3)@SBA-15,and the syngas yield was increased by 55.3%and 20.7%respectively,and it had good cycle stability.Kinetic analysis showed that the kinetic model changed from three-dimensional diffusion to first-order reaction with the increase of temperature.The activation energy was 192.79 kJ/mol by fitting.This paper provides basic data for the directional preparation of hydrogen-rich syngas from biomass and the design of oxygen carriers for pyrolysis of all-component chemical looping reforming. 展开更多
关键词 Biomass pyrolysis METHANE chemical looping reforming Oxygen carrier Kinetic analysis
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Some of the Chemical and Physical Characteristics of the Graff River in Kut City, Iraq
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作者 Salih Mahdi Ali Imad Kazem Ali 《Open Journal of Modern Hydrology》 CAS 2024年第1期56-67,共12页
Some of the chemical and physical water qualities of the Graff River in the city of Kut were studied, and for two sites of the river, One was at the Crimea site, the other in the Jihad district, and for the period fro... Some of the chemical and physical water qualities of the Graff River in the city of Kut were studied, and for two sites of the river, One was at the Crimea site, the other in the Jihad district, and for the period from October/2018 to March/2019, Seven variables of river water have been analyzed: temperature PH, electrical conductivity, TDS, turbidity, alkaline, and chloride. The results showed that most of the chemical and physical water properties of the river were in normal proportions and did not rise, except for the turbidity, which was at a very high level, and that the pH values were close to the basal side. The results of the statistical analysis revealed positive significant relationships between the pH and (chloride and TDS). On the other hand, between electrical conductivity and both previous variables as well. And a negative significant connection between temperature and alkaline. 展开更多
关键词 Graff River Kut City Iraq chemical Characteristics Physical Characteristics
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Optimizing the sulfur-resistance and activity of perovskite oxygen carrier for chemical looping dry reforming of methane
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作者 Yuelun Li Dong Tian +6 位作者 Lei jiang Huicong Zuo LiNan Huang Mingyi Chen Jianchun Zuo Hua Wang Kongzhai Li 《Journal of Energy Chemistry》 SCIE EI CAS CSCD 2024年第9期259-271,共13页
Perovskite oxides has been attracted much attention as high-performance oxygen carriers for chemical looping reforming of methane,but they are easily inactivated by the presence of trace H_(2)S.Here,we propose to modu... Perovskite oxides has been attracted much attention as high-performance oxygen carriers for chemical looping reforming of methane,but they are easily inactivated by the presence of trace H_(2)S.Here,we propose to modulate both the activity and resistance to sulfur poisoning by dual substitution of Mo and Ni ions with the Fe-sites of LaFeO_(3)perovskite.It is found that partial substitution of Ni for Fe substantially improves the activity of LaFeO_(3)perovskite,while Ni particles prefer to grow and react with H_(2)S during the long-term successive redox process,resulting in the deactivation of oxygen carriers.With the presence of Mo in LaNi_(0.05)Fe_(0.95)O_(3−σ)perovskite,H_(2)S preferentially reacts with Mo to generate MoS_(2),and then the CO_(2)oxidation can regenerate Mo via removing sulfur.In addition,Mo can inhibit the accumulation and growth of Ni,which helps to improve the redox stability of oxygen carriers.The LaNi_(0.05)Mo_(0.07)Fe_(0.88)O_(3−σ)oxygen carrier exhibits stable and excellent performance,with the CH_(4)conversion higher than 90%during the 50 redox cycles in the presence of 50 ppm H_(2)S at 800℃.This work highlights a synergistic effect in the perovskite oxides induced by dual substitution of different cations for the development of high-performance oxygen carriers with excellent sulfur tolerance. 展开更多
关键词 Perovskite oxygen carriers chemical looping reforming Sulfur-resistance Dual substitution SYNGAS
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