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Simplifying Stochastic Mathematical Models of Biochemical Systems 被引量:1
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作者 Silvana Ilie Samaneh Gholami 《Applied Mathematics》 2013年第1期248-256,共9页
Stochastic modeling of biochemical reactions taking place at the cellular level has become the subject of intense research in recent years. Molecular interactions in a single cell exhibit random fluctuations. These fl... Stochastic modeling of biochemical reactions taking place at the cellular level has become the subject of intense research in recent years. Molecular interactions in a single cell exhibit random fluctuations. These fluctuations may be significant when small populations of some reacting species are present and then a stochastic description of the cellular dynamics is required. Often, the biochemically reacting systems encountered in applications consist of many species interacting through many reaction channels. Also, the dynamics of such systems is typically non-linear and presents multiple time-scales. Consequently, the stochastic mathematical models of biochemical systems can be quite complex and their analysis challenging. In this paper, we present a method to reduce a stochastic continuous model of well-stirred biochemical systems, the Chemical Langevin Equation, while preserving the overall behavior of the system. Several tests of our method on models of practical interest gave excellent results. 展开更多
关键词 STOCHASTIC Modeling Sensitivity Analysis Model REDUCTION TECHNIQUES chemical LANGEVIN EQUATION
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Study on Performance and Influencing Factors of H2O2 Production by Bioelectrochemical System
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作者 Jiqiang ZHANG 《Agricultural Biotechnology》 CAS 2019年第5期99-101,共3页
This study used a bioelectrochemical system (BES) to produce H2O2.Seven cycles after the addition of microorganisms,the BES started successfully and entered a stable operation period.During stable operation,the voltag... This study used a bioelectrochemical system (BES) to produce H2O2.Seven cycles after the addition of microorganisms,the BES started successfully and entered a stable operation period.During stable operation,the voltage was 581 mV,the COD removal efficiency at the anode was 85.39%,and the H 2O 2 mass concentration at the cathode was 0.5%.After the addition of 10% of graphite particles in the reaction chamber,the H2O2 production increased by 13%.After loading Pt-containing carbon black catalyst on the cathode,the H2O2 production increased by 34%.The mass concentration of H2O2 was 0.67% under the optimum process conditions of a cathode loaded with Pt-containing carbon black catalyst,pH=7,and dissolved oxygen of 8 mg/L. 展开更多
关键词 BES H2O2 Influencing FACTOR chemical ROW material
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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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Chemical simulation teaching system based on virtual reality and gesture interaction
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作者 Dengzhen LU Hengyi LI +2 位作者 Boyu QIU Siyuan LIU Shuhan QI 《虚拟现实与智能硬件(中英文)》 EI 2024年第2期148-168,共21页
Background Most existing chemical experiment teaching systems lack solid immersive experiences,making it difficult to engage students.To address these challenges,we propose a chemical simulation teaching system based ... Background Most existing chemical experiment teaching systems lack solid immersive experiences,making it difficult to engage students.To address these challenges,we propose a chemical simulation teaching system based on virtual reality and gesture interaction.Methods The parameters of the models were obtained through actual investigation,whereby Blender and 3DS MAX were used to model and import these parameters into a physics engine.By establishing an interface for the physics engine,gesture interaction hardware,and virtual reality(VR)helmet,a highly realistic chemical experiment environment was created.Using code script logic,particle systems,as well as other systems,chemical phenomena were simulated.Furthermore,we created an online teaching platform using streaming media and databases to address the problems of distance teaching.Results The proposed system was evaluated against two mainstream products in the market.In the experiments,the proposed system outperformed the other products in terms of fidelity and practicality.Conclusions The proposed system which offers realistic simulations and practicability,can help improve the high school chemistry experimental education. 展开更多
关键词 chemical experiment simulation Gesture interaction Virtual reality Model establishment Process control Streaming media DATABASE
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Carbon sequestration rate,nitrogen use efficiency and rice yield responses to long-term substitution of chemical fertilizer by organic manure in a rice–rice cropping system 被引量:1
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作者 Nafiu Garba HAYATU LIU Yi-ren +7 位作者 HAN Tian-fu Nano Alemu DABA ZHANG Lu SHEN Zhe LI Ji-wen Haliru MUAZU Sobhi Faid LAMLOM ZHANG Hui-min 《Journal of Integrative Agriculture》 SCIE CAS CSCD 2023年第9期2848-2864,共17页
Combined application of chemical fertilizers with organic amendments was recommended as a strategy for improving yield,soil carbon storage,and nutrient use efficiency.However,how the long-term substitution of chemical... Combined application of chemical fertilizers with organic amendments was recommended as a strategy for improving yield,soil carbon storage,and nutrient use efficiency.However,how the long-term substitution of chemical fertilizer with organic manure affects rice yield,carbon sequestration rate(CSR),and nitrogen use efficiency(NUE)while ensuring environmental safety remains unclear.This study assessed the long-term effect of substituting chemical fertilizer with organic manure on rice yield,CSR,and NUE.It also determined the optimum substitution ratio in the acidic soil of southern China.The treatments were:(i)NPK0,unfertilized control;(ii)NPK1,100%chemical nitrogen,phosphorus,and potassium fertilizer;(iii)NPKM1,70%chemical NPK fertilizer and 30%organic manure;(iv)NPKM2,50%chemical NPK fertilizer and 50%organic manure;and(v)NPKM3,30%chemical NPK fertilizer and 70%organic manure.Milk vetch and pig manure were sources of manure for early and late rice seasons,respectively.The result showed that SOC content was higher in NPKM1,NPKM2,and NPKM3 treatments than in NPK0 and NPK1 treatments.The carbon sequestration rate increased by 140,160,and 280%under NPKM1,NPKM2,and NPKM3 treatments,respectively,compared to NPK1 treatment.Grain yield was 86.1,93.1,93.6,and 96.5%higher under NPK1,NPKM1,NPKM2,and NPKM3 treatments,respectively,compared to NPK0 treatment.The NUE in NPKM1,NPKM2,and NPKM3 treatments was higher as compared to NPK1 treatment for both rice seasons.Redundancy analysis revealed close positive relationships of CSR with C input,total N,soil C:N ratio,catalase,and humic acids,whereas NUE was closely related to grain yield,grain N content,and phenol oxidase.Furthermore,CSR and NUE negatively correlated with humin acid and soil C:P and N:P ratios.The technique for order of preference by similarity to ideal solution(TOPSIS)showed that NPKM3 treatment was the optimum strategy for improving CSR and NUE.Therefore,substituting 70%of chemical fertilizer with organic manure could be the best management option for increasing CSR and NUE in the paddy fields of southern China. 展开更多
关键词 carbon sequestration chemical fertilizer long term organic manure nitrogen use efficiency paddy rice
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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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Microscopic mechanism study and process optimization of dimethyl carbonate production coupled biomass chemical looping gasification system
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作者 Wende Tian Jiawei Zhang +2 位作者 Zhe Cui Haoran Zhang Bin Liu 《Chinese Journal of Chemical Engineering》 SCIE EI CAS CSCD 2023年第6期291-305,共15页
Biomass chemical looping gasification technology is one of the essential ways to utilize abundant biomass resources.At the same time,dimethyl carbonate can replace phosgene as an environmentfriendly organic material f... Biomass chemical looping gasification technology is one of the essential ways to utilize abundant biomass resources.At the same time,dimethyl carbonate can replace phosgene as an environmentfriendly organic material for the synthesis of polycarbonate.In this paper,a novel system coupling biomass chemical looping gasification with dimethyl carbonate synthesis with methanol as an intermediate is designed through microscopic mechanism analysis and process optimization.Firstly,reactive force field molecular dynamics simulation is performed to explore the reaction mechanism of biomass chemical looping gasification to determine the optimal gasification temperature range.Secondly,steady-state simulations of the process based on molecular dynamics simulation results are carried out to investigate the effects of temperature,steam to biomass ratio,and oxygen carrier to biomass ratio on the syngas yield and compositions.In addition,the main energy indicators of biomass chemical looping gasification process including lower heating value and cold gas efficiency are analyzed based on the above optimum parameters.Then,two synthesis stages are simulated and optimized with the following results obtained:the optimal temperature and pressure of methanol synthesis stage are 150℃ and 4 MPa;the optimal temperature and pressure of dimethyl carbonate synthesis stage are 140℃ and 0.3 MPa.Finally,the pre-separation-extraction-decantation process separates the mixture of dimethyl carbonate and methanol generated in the synthesis stage with 99.11%purity of dimethyl carbonate.Above results verify the feasibility of producing dimethyl carbonate from the perspective of multi-scale simulation and realize the multi-level utilization of biomass resources. 展开更多
关键词 Biomass chemical looping gasification Reactive force field molecular dynamics simulation SEPARATION Multi-scale simulation
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Techno-economic assessment of a chemical looping splitting system for H2 and CO Co-generation
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作者 Hao Peng Zichen Di +2 位作者 Pan Gong Fengling Yang Fangqin Cheng 《Green Energy & Environment》 SCIE EI CSCD 2023年第1期338-350,共13页
The natural gas(NG)reforming is currently one of the low-cost methods for hydrogen production.However,the mixture of H2 and CO_(2) in the produced gas inevitably includes CO_(2) and necessitates the costly CO_(2) sepa... The natural gas(NG)reforming is currently one of the low-cost methods for hydrogen production.However,the mixture of H2 and CO_(2) in the produced gas inevitably includes CO_(2) and necessitates the costly CO_(2) separation.In this work,a novel double chemical looping involving both combustion(CLC)and sorption-enhanced reforming(SE-CLR)was proposed towards the co-production of H2 and CO(CLC-SECLRHC)in two separated streams.CLC provides reactant CO_(2) and energy to feed SECLRHC,which generates hydrogen in a higher purity,as well as the calcium cycle to generate CO in a higher purity.Techno-economic assessment of the proposed system was conducted to evaluate its efficiency and economic competitiveness.Studies revealed that the optimal molar ratios of oxygen carrier(OC)/NG and steam/NG for reforming were recommended to be 1.7 and 1.0,respectively.The heat integration within CLC and SECLRHC units can be achieved by circulating hot OCs.The desired temperatures of fuel reactor(FR)and reforming reactor(RR)should be 850C and 600C,respectively.The heat coupling between CLC and SECLRHC units can be realized via a jacket-type reactor,and the NG split ratio for reforming and combustion was 0.53:0.47.Under the optimal conditions,the H2 purity,the H2 yield and the CH4 conversion efficiency were 98.76%,2.31 mol mol-1 and 97.96%,respectively.The carbon and hydrogen utilization efficiency respectively were 58.60% and 72.45%in terms of the total hydrogen in both steam and NG.The exergy efficiency of the overall process reached 70.28%.In terms of the conventional plant capacity(75 × 103 t y^(-1))and current raw materials price(2500$t^(-1)),the payback period can be 6.2 years and the IRR would be 11.5,demonstrating an economically feasible and risk resistant capability. 展开更多
关键词 Natural gas reforming chemical looping Heat integration coupling Techno-economic assessment HYDROGEN
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Research progress on effective chemical constituents of Sijunzi Decoction and mechanism of prevention and treatment of digestive system diseases
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作者 ZHANGYu HUANG Mei-zhen +3 位作者 PAN Chun-qu RUAN Qing-ting TAN Jin-jing XIE Sheng 《Journal of Hainan Medical University》 CAS 2023年第7期75-82,共8页
Sijunzi Decoction,as one of the classic Chinese traditional prescriptions,has been used clinically by major physicians since the Song Dynasty.This article reviewed and sorted out the literature on the effective chemis... Sijunzi Decoction,as one of the classic Chinese traditional prescriptions,has been used clinically by major physicians since the Song Dynasty.This article reviewed and sorted out the literature on the effective chemistry of Sijunzi Decoction and the mechanism of its prevention and treatment of digestive system diseases.At present,its effective chemical components are derived from the saponins and flavonoids in ginseng and licorice,and are effective for gastrointestinal mucosal injury diseases and malignant digestive system.Digestive system diseases such as tumors,functional gastrointestinal diseases,non-alcoholic fatty liver,acute liver injury,and liver failure show a multi-path,multi-target effect mechanism.This article reviews the effective chemical components and research of Sijunzi Decoction and the related mechanisms of prevention and treatment of digestive system diseases,and provides valuable clues for the follow-up research of Sijunzi Decoction. 展开更多
关键词 Sijunzi Decoction Effective chemical constituents Mechanism of digestive system DISEASES Research progress
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Effects of dietary Clostridium butyricum and rumen protected fat on meat quality,oxidative stability,and chemical composition of finishing goats
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作者 Meimei Zhang Zhiyue Zhang +9 位作者 Xinlong Zhang Changming Lu Wenzhu Yang Xiaolai Xie Hangshu Xin Xiaotan Lu Mingbo Ni Xinyue Yang Xiaoyang Lv Peixin Jiao 《Journal of Animal Science and Biotechnology》 SCIE CAS CSCD 2024年第2期911-924,共14页
Background Clostridium butyricum(CB)is a probiotic that can regulate intestinal microbial composition and improve meat quality.Rumen protected fat(RPF)has been shown to increase the dietary energy density and provide ... Background Clostridium butyricum(CB)is a probiotic that can regulate intestinal microbial composition and improve meat quality.Rumen protected fat(RPF)has been shown to increase the dietary energy density and provide essential fatty acids.However,it is still unknown whether dietary supplementation with CB and RPF exerts beneficial effects on growth performance and nutritional value of goat meat.This study aimed to investigate the effects of dietary CB and RPF supplementation on growth performance,meat quality,oxidative stability,and meat nutritional value of finishing goats.Thirty-two goats(initial body weight,20.5±0.82 kg)were used in a completely randomized block design with a 2 RPF supplementation(0 vs.30 g/d)×2 CB supplementation(0 vs.1.0 g/d)factorial treatment arrangement.The experiment included a 14-d adaptation and 70-d data and sample collection period.The goats were fed a diet consisted of 400 g/kg peanut seedling and 600 g/kg corn-based concentrate(dry matter basis).Result Interaction between CB and RPF was rarely observed on the variables measured,except that shear force was reduced(P<0.05)by adding CB or RPF alone or their combination;the increased intramuscular fat(IMF)content with adding RPF was more pronounced(P<0.05)with CB than without CB addition.The pH24h(P=0.009),a*values(P=0.007),total antioxidant capacity(P=0.050),glutathione peroxidase activities(P=0.006),concentrations of 18:3(P<0.001),20:5(P=0.003)and total polyunsaturated fatty acids(P=0.048)were increased,whereas the L*values(P<0.001),shear force(P=0.050)and malondialdehyde content(P=0.044)were decreased by adding CB.Furthermore,CB supplementation increased essential amino acid(P=0.027),flavor amino acid(P=0.010)and total amino acid contents(P=0.024)as well as upregulated the expression of lipoprotein lipase(P=0.034)and peroxisome proliferator-activated receptorγ(PPARγ)(P=0.012),and downregulated the expression of stearoyl-CoA desaturase(SCD)(P=0.034).The RPF supplementation increased dry matter intake(P=0.005),averaged daily gain(trend,P=0.058),hot carcass weight(P=0.046),backfat thickness(P=0.006),concentrations of 16:0(P<0.001)and c9-18:1(P=0.002),and decreased the shear force(P<0.001),isoleucine(P=0.049)and lysine content(P=0.003)of meat.In addition,the expressions of acetyl-CoA carboxylase(P=0.003),fatty acid synthase(P=0.038),SCD(P<0.001)and PPARγ(P=0.022)were upregulated due to RPF supplementation,resulting in higher(P<0.001)content of IMF.Conclusions CB and RPF could be fed to goats for improving the growth performance,carcass traits and meat quality,and promote fat deposition by upregulating the expression of lipogenic genes of Longissimus thoracis muscle. 展开更多
关键词 chemical composition Clostridium butyricum Goats Meat quality Oxidative stability Rumen protected fat
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Jet formation and penetration performance of a double-layer charge liner with chemically-deposited tungsten as the inner liner
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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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Combined application of organic fertilizer and chemical fertilizer alleviates the kernel position effect in summer maize by promoting post-silking nitrogen uptake and dry matter accumulation
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作者 Lichao Zhai Lihua Zhang +7 位作者 Yongzeng Cui Lifang Zhai Mengjing Zheng Yanrong Yao Jingting Zhang Wanbin Hou Liyong Wu Xiuling Jia 《Journal of Integrative Agriculture》 SCIE CAS CSCD 2024年第4期1179-1194,共16页
Adjusting agronomic measures to alleviate the kernel position effect in maize is important for ensuring high yields.In order to clarify whether the combined application of organic fertilizer and chemical fertilizer(CA... Adjusting agronomic measures to alleviate the kernel position effect in maize is important for ensuring high yields.In order to clarify whether the combined application of organic fertilizer and chemical fertilizer(CAOFCF)can alleviate the kernel position effect of summer maize,field experiments were conducted during the 2019 and 2020 growing seasons,and five treatments were assessed:CF,100%chemical fertilizer;OFCF1,15%organic fertilizer+85%chemical fertilizer;OFCF2,30%organic fertilizer+70%chemical fertilizer;OFCF3,45%organic fertilizer+55%chemical fertilizer;and OFCF4,60%organic fertilizer+40%chemical fertilizer.Compared with the CF treatment,the OFCF1 and OFCF2 treatments significantly alleviated the kernel position effect by increasing the weight ratio of inferior kernels to superior kernels and reducing the weight gap between the superior and inferior kernels.These effects were largely due to the improved filling and starch accumulation of inferior kernels.However,there were no obvious differences in the kernel position effect among plants treated with CF,OFCF3,or OFCF4 in most cases.Leaf area indexes,post-silking photosynthetic rates,and net assimilation rates were higher in plants treated with OFCF1 or OFCF2 than in those treated with CF,reflecting an enhanced photosynthetic capacity and improved postsilking dry matter accumulation(DMA)in the plants treated with OFCF1 or OFCF2.Compared with the CF treatment,the OFCF1 and OFCF2 treatments increased post-silking N uptake by 66.3 and 75.5%,respectively,which was the major factor driving post-silking photosynthetic capacity and DMA.Moreover,the increases in root DMA and zeatin riboside content observed following the OFCF1 and OFCF2 treatments resulted in reduced root senescence,which is associated with an increased post-silking N uptake.Analyses showed that post-silking N uptake,DMA,and grain yield in summer maize were negatively correlated with the kernel position effect.In conclusion,the combined application of 15-30%organic fertilizer and 70-85%chemical fertilizer alleviated the kernel position effect in summer maize by improving post-silking N uptake and DMA.These results provide new insights into how CAOFCF can be used to improve maize productivity. 展开更多
关键词 chemical fertilizer dry mater accumulation kernel position effect N uptake organic fertilizer
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Shock-induced energy localization and reaction growth considering chemical-inclusions effects for crystalline explosives
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作者 Ruqin Liu Yanqing Wu +3 位作者 Xinjie Wang Fenglei Huang Xiaona Huang Yushi Wen 《Defence Technology(防务技术)》 SCIE EI CAS CSCD 2024年第3期278-294,共17页
Chemical inclusions significantly alter shock responses of crystalline explosives in macroscale gap experiments but their microscale dynamics origin remains unclear.Herein shock-induced energy localization,overall phy... Chemical inclusions significantly alter shock responses of crystalline explosives in macroscale gap experiments but their microscale dynamics origin remains unclear.Herein shock-induced energy localization,overall physical responses,and reactions in a-1,3,5-trinitro-1,3,5-triazinane(a-RDX)crystal entrained various chemical inclusions were investigated by the multi-scale shock technique implemented in the reactive molecular dynamics method.Results indicated that energy localization and shock reaction were affected by the intrinsic factors within chemical inclusions,i.e.,phase states,chemical compositions,and concentrations.The atomic origin of chemical-inclusions effects on energy localization is dependent on the dynamics mechanism of interfacial molecules with free space volume,which includes homogeneous intermolecular compression,interfacial impact and shear,and void collapse and jet.As introducing various chemical inclusions,the initiation of those dynamics mechanisms triggers diverse decay rates of bulk RDX molecules and hereby impacts on growth speeds of final reactions.Adding chemical inclusions can reduce the effectiveness of the void during the shock impacting.Under the shockwave velocity of 9 km/s,the parent RDX decay rate in RDX entrained amorphous carbon decreases the most and is about one fourth of that in RDX with a vacuum void,and solid HMX and TATB inclusions are more reactive than amorphous carbon but less reactive than dry air or acetone inclusions.The lessdense shocking system denotes the greater increases in local temperature and stress,the faster energy liberation,and the earlier final reaction into equilibrium,revealing more pronounced responses to the present intense shockwave.The quantitative models associated with the relative system density(RD_(sys))were proposed for indicating energy-localization mechanisms and evaluating initiation safety in the shocked crystalline explosive.RD_(sys)is defined by the density ratio of defective RDX to perfect crystal after dynamics relaxation and reveals the global density characteristic in shocked systems filled with chemical inclusions.When RD_(sys)is below 0.9,local hydrodynamic jet initiated by void collapse dominates upon energy localization instead of interfacial impact.This study sheds light on novel insights for understanding the shock chemistry and physical-based atomic origin in crystalline explosives considering chemical-inclusions effects. 展开更多
关键词 Shock responses Energy localization Crystalline explosives chemical inclusions Reactive molecular dynamics
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Chemically Radiative MHD Flow of a Micropolar Nanofluid over a Stretching/ Shrinking Sheet with a Heat Source or Sink
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作者 Parakapali Roja Shaik Mohammed Ibrahim +1 位作者 Thummala Sankar Reddy Giulio Lorenzini 《Fluid Dynamics & Materials Processing》 EI 2024年第2期257-274,共18页
This study examines the behavior of a micropolar nanofluidflowing over a sheet in the presence of a transverse magneticfield and thermal effects.In addition,chemical(first-order homogeneous)reactions are taken into accoun... This study examines the behavior of a micropolar nanofluidflowing over a sheet in the presence of a transverse magneticfield and thermal effects.In addition,chemical(first-order homogeneous)reactions are taken into account.A similarity transformation is used to reduce the system of governing coupled non-linear partial differ-ential equations(PDEs),which account for the transport of mass,momentum,angular momentum,energy and species,to a set of non-linear ordinary differential equations(ODEs).The Runge-Kutta method along with shoot-ing method is used to solve them.The impact of several parameters is evaluated.It is shown that the micro-rota-tional velocity of thefluid rises with the micropolar factor.Moreover,the radiation parameter can have a remarkable influence on theflow and temperature profiles and on the angular momentum distribution. 展开更多
关键词 chemical(first order homogeneous)reaction MAGNETOHYDRODYNAMICS MICROPOLAR NANOFLUID stretching/shrinking sheet heat source
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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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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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NiO-Doped Fe_(2)O_(3)/MgO Properties for the Chemical Looping Oxidative Dehydrogenation of Ethane
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作者 Liang Hao Chen Junjie +1 位作者 Sun Jie Sun Hui 《China Petroleum Processing & Petrochemical Technology》 SCIE CAS CSCD 2024年第1期27-33,共7页
Ethane chemical looping oxidative dehydrogenation(CL-ODH)to ethylene is a new technology for ethylene preparation.Fe_(2)O_(3)/MgO oxygen carrier was prepared using the co-precipitation method.The influence of added Ni... Ethane chemical looping oxidative dehydrogenation(CL-ODH)to ethylene is a new technology for ethylene preparation.Fe_(2)O_(3)/MgO oxygen carrier was prepared using the co-precipitation method.The influence of added NiO and its different loadings on Fe_(2)O_(3)/MgO were investigated.Then,a series of oxygen carriers were applied in the CL-ODH of the ethane cycle system.Brunauer-Emmett-Teller(BET),X-ray diffractometry(XRD),X-ray photoelection spectroscopy(XPS),and H2-temperature programmed reduction(TPR)were used to characterize the physicochemical properties of these oxygen carriers.It was confirmed that an interaction between NiO and Fe_(2)O_(3) occurred based on the XPS and H2-TPR results.Based on the CL-ODH activity performance tests conducted in a fixed-bed reactor,it was revealed that ethylene selectivity was significantly improved after NiO addition.Fe_(2)O_(3)-10%NiO/MgO showed the best activity performance with 93%ethane conversion and 50%ethylene selectivity at a reaction temperature of 650℃,atmospheric pressure,and space velocity of 7500 mL/(g·h). 展开更多
关键词 chemical looping oxidative dehydrogenation oxygen carrier Fe_(2)O_(3)/MgO NIO
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The impact of^(60)Co-γirradiation on the chemical constituents of Chuanxiong Rhizoma
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作者 Ting-Ting Zhu Wei-Shan Qiu +1 位作者 Rui Gu Shi-Hong Zhong 《Traditional Medicine Research》 2024年第1期23-32,共10页
Background:In order to clarify the inmpat ofγirradiation on the chemical composition of traditional Chinese medicine,this paper carefully choosed Chuanxiong Rhizoma to carry on a demonstration study.Methods:Through a... Background:In order to clarify the inmpat ofγirradiation on the chemical composition of traditional Chinese medicine,this paper carefully choosed Chuanxiong Rhizoma to carry on a demonstration study.Methods:Through a meticulous assessment,a comprehensive comparison was made between the irradiated and unirradiated Chuanxiong Rhizoma samples.The property characteristics were investigated by colorimeter and electronic nose.The changes in chemical structures and contents was analyzed by fourier infrared spectroscopy,high performance liquid chromatography and fingerprinting.In a quest to uncover the presence of any new radiolysis products,cutting-edge techniques like ultra performance liquid chromatography-quadrupole-time of flight-mass spectrometry and gas chromatography-mass spectrometry were employed.Moreover,the difference of antioxidant activity were investigated.Results:The irradiation doses within 12 kGy had no significant effects on the content of the main chemical components,characteristics and in vitro antioxidant activity of Chuanxiong Rhizoma,while changes in some functional groups and degradation of some volatile oil components containing olefins need further study.Conclusion:This study indicates that^(60)Co-γirradiation is a stable method for sterilization of Chuanxiong Rhizoma.It’s also provide a reference for the establishment of irradiation standards for Chuanxiong Rhizoma and other aromatic medicinal plants. 展开更多
关键词 ^(60)Co-γirradiation Chuanxiong Rhizoma chemical component comprehensive evaluation
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CO_(2) conversion to solar fuels and chemicals:Opening the new paths
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作者 Gabriele Centi Claudio Ampelli 《Journal of Energy Chemistry》 SCIE EI CAS CSCD 2024年第4期680-683,共4页
This future article discusses the new prospects and directions of CO_(2)conversion via the photo-electrocatalytic(PEC)route.The second(2nd)generation solar fuels and chemicals(SFs)are generated directly in PEC systems... This future article discusses the new prospects and directions of CO_(2)conversion via the photo-electrocatalytic(PEC)route.The second(2nd)generation solar fuels and chemicals(SFs)are generated directly in PEC systems via electrons/protons reactions without forming molecular H_(2)as an intermediate,overcoming the thermodynamics limitations and practical issues encountered for electro-fuels produced by multistep thermocatalytic processes(i.e.CO_(2)conversion with H_(2)coming from water electrolysis).A distributed and decentralized production of SFs requires very compact,highly integrated,and intensified technologies.Among the existing reactors of advanced design(based on artificial leaves or photosynthesis),the integrated photovoltaic plus electrocatalytic(PV-EC)device is the only system(demonstrated at large scale)to produce SFs with high solar-to-fuel(STF)efficiency.However,while the literature indicates STF efficiency as the main(and only)measure of process performance,we remark here the need to refer to productivity(in terms of current density)and make tests with reliable flow PEC systems(with electrodes of at least 5–10 cm^(2))to accelerate the scaling-up process.Using approaches that minimize downstream separation costs is also mandatory.Many limitations exist in PEC systems,but most can be overcome by proper electrode and cell engineering,thus going beyond the properties of the electrocatalysts.As examples of current developments,we present the progress of(i)artificial leaf/tree devices for green H_(2)distributed production and(ii)a PEC device producing the same chemicals at both cathode and anode parts without downstream operations for green solvent distributed production.Based on these developments,future directions,such as producing fertilizers and food components from the air,are outlined.The aim is to provide new ideas and research directions from a personal perspective. 展开更多
关键词 Solar fuels Artificial leaf PEC devices PV-EC devices Cell engineering green H_(2) chemicals from theair
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Fabrication of Graphene/Cu Composite by Chemical Vapor Deposition and Effects of Graphene Layers on Resultant Electrical Conductivity
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作者 Xinyue Liu Yaling Huang +2 位作者 Yuyao Li Jie Liu Quanfang Chen 《Journal of Harbin Institute of Technology(New Series)》 CAS 2024年第1期16-25,共10页
Graphene(Gr)has unique properties including high electrical conductivity;Thus,graphene/copper(Gr/Cu)composites have attracted increasing attention to replace traditional Cu for electrical applications. However,the pro... Graphene(Gr)has unique properties including high electrical conductivity;Thus,graphene/copper(Gr/Cu)composites have attracted increasing attention to replace traditional Cu for electrical applications. However,the problem of how to control graphene to form desired Gr/Cu composite is not well solved. This paper aims at exploring the best parameters for preparing graphene with different layers on Cu foil by chemical vapor deposition(CVD)method and studying the effects of different layers graphene on Gr/Cu composite’s electrical conductivity. Graphene grown on single-sided and double-sided copper was prepared for Gr/Cu and Gr/Cu/Gr composites. The resultant electrical conductivity of Gr/Cu composites increased with decreasing graphene layers and increasing graphene volume fraction. The Gr/Cu/Gr composite with monolayer graphene owns volume fraction of less than 0.002%,producing the best electrical conductivity up to59.8 ×10^(6)S/m,equivalent to 104.5% IACS and 105.3% pure Cu foil. 展开更多
关键词 chemical vapor deposition(CVD) Gr/Cu Gr/Cu/Gr graphene layers graphene volume fraction electrical conductivity
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