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Synthesis and Insecticidal Activity of Derivants of 3,13-Ester Mesaconitine 被引量:5
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作者 王晓东 袁小红 +3 位作者 杨海君 侯大斌 王惠 许源 《Agricultural Science & Technology》 CAS 2009年第3期3-6,共4页
[Objective] The experiment aimed to explore the relations between structure of aconitine, aconitine derivatives and insecticide. [Method] The aconitine derivatives such as 3-acetyl mesaconitine, 3-propionyl mesaconiti... [Objective] The experiment aimed to explore the relations between structure of aconitine, aconitine derivatives and insecticide. [Method] The aconitine derivatives such as 3-acetyl mesaconitine, 3-propionyl mesaconitine, 3-acetyl-13-Benzoyl-mesaconitine and 3-propionyl-13-Benzoyl-mesaconitine were synthesized by mesaconitine with acetic anhydride or propionic anhydride and their insecticidal activities were also determined. [Result] When the concentration was 500 mg/L, the insecticidal activities of mesaconitine against Nilaparvata legen and Aphis were 50% and 30% respectively while the insecticidal activities of 3-acetyl mesaconitine, 3-propionyl mesaconitine, 3-acetyl-13-Benzoyl-mesaconitine and 3-propionyl-13-Benzoyl-mesaconitine against Aphis medicagini were 40%, 30%, 30% and 20% respectively at 500 mg/L. [Conclusion] After hydroxyl esterification, the insecticidal activity of mesaconitine was declined and the existence of hydroxyl at 3rd position in mesaconitine played very important influences on insecticidal activity. 展开更多
关键词 MESACONITINE DERIVATIVE STRUCTURE Insecticidal activity
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Toxicity (-lgEC_(50)) Measurement of the Fluorobenzene Derivants against Vibrio Qinghaiensis (Q67) and Their 2D,3D-QSAR Study 被引量:2
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作者 赵惠明 张彩云 +1 位作者 葛志刚 王遵尧 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 2010年第10期1467-1476,共10页
Toxicities (-lgEC50) of 16 fluorobenzene derivants against vibrio qinghaiensis (Q67) were measured systematically,and their quantum chemistry parameters were calculated at the B3LYP/6-311G** level. Based on the ... Toxicities (-lgEC50) of 16 fluorobenzene derivants against vibrio qinghaiensis (Q67) were measured systematically,and their quantum chemistry parameters were calculated at the B3LYP/6-311G** level. Based on the experimental toxicity data and quantum chemistry parameters,2D-QSAR model was proposed,which was validated by variance inflation factors (VIF),t-value and cross-validation method. At the mean time,comparative molecular force field (CoMFA) based on molecular simulation was used to investigate the toxicity of fluorobenzene derivants. Furthermore,the intoxicating mechanism of fluorobenzene derivants was discussed. To our interest,2D-QSAR and CoMFA models exhibit good prediction ability,with which the toxicity of similar compounds can be predicted. Finally,toxicities (-lgEC50) of 12 fluorobenzene derivants against vibrio qinghaiensis (Q67) were predicted with these models. 展开更多
关键词 vibrio qinghaiensis (Q67) toxicities (-lgEC50) quantitative structure-activityrelationship (QSAR) density functional theory (DFT) fluorobenzene derivants
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Development and identification of two novel wheat-rye 6R derivative lines with adult-plant resistance to powdery mildew and high-yielding potential 被引量:1
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作者 Guohao Han Jing Wang +10 位作者 Hanwen Yan Tiantian Gu Lijun Cao Shiyu Liu Xiuquan Li Yilin Zhou Jieru Fan Zhipeng Shi Hong Liu Lihui Li Diaoguo An 《The Crop Journal》 SCIE CSCD 2024年第1期308-313,共6页
Powdery mildew,caused by Blumeria graminis f.sp.tritici(Bgt),is a devastating disease that seriously threatens wheat yield and quality.To control this disease,host resistance is the most effective measure.Compared wit... Powdery mildew,caused by Blumeria graminis f.sp.tritici(Bgt),is a devastating disease that seriously threatens wheat yield and quality.To control this disease,host resistance is the most effective measure.Compared with the resistance genes from common wheat,alien resistance genes can better withstand infection of this highly variable pathogen.Development of elite alien germplasm resources with powdery mildew resistance and other key breeding traits is an attractive strategy in wheat breeding.In this study,three wheat-rye germplasm lines YT4-1,YT4-2,and YT4-3 were developed through hybridization between octoploid triticale and common wheat,out of which the lines YT4-1 and YT4-2 conferred adult-plant resistance(APR)to powdery mildew while the line YT4-3 was susceptible to powdery mildew during all of its growth stages.Using genomic in situ hybridization,multi-color fluorescence in situ hybridization,multi-color GISH,and molecular marker analysis,YT4-1,YT4-2,and YT4-3 were shown to be cytogenetically stable wheat-rye 6R addition and T1RS.1BL translocation line,6RL ditelosomic addition and T1RS.1BL translocation line,and T1RS.1BL translocation line,respectively.Compared with previously reported wheat-rye derivative lines carrying chromosome 6R,YT4-1 and YT4-2 showed stable APR without undesirable pleiotropic effects on agronomic traits.Therefore,these novel wheat-rye 6R derivative lines are expected to be promising bridge resources in wheat disease breeding. 展开更多
关键词 Powdery mildew Secale cereale Triticum aestivum Wheat-rye 6R derivatives Agronomic performance
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Identification of the Caroline Plate boundary:constraints from magnetic anomaly
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作者 Yongtao Fu Guoliang Zhang +4 位作者 Wanyin Wang An Yang Tao He Zhangguo Zhou Xiao Han 《Acta Oceanologica Sinica》 SCIE CAS CSCD 2024年第8期1-12,共12页
The Caroline Plate is located among the Pacific Plate,the Philippine Sea Plate,and the India Australia Plate,and plays a key role in controlling the spreading direction of the Philippine Sea Plate.The Caroline Submari... The Caroline Plate is located among the Pacific Plate,the Philippine Sea Plate,and the India Australia Plate,and plays a key role in controlling the spreading direction of the Philippine Sea Plate.The Caroline Submarine Plateau(or Caroline Ridge)and the Eauripik Rise on the south formed a remarkable T-shaped large igneous rock province,which covered the northern boundary between the Caroline Plate and the Pacific Plate.However,relationship between these tectonic units and magma evolution remains unclear.Based on magnetic data from the Earth Magnetic Anomaly Grid(2-arc-minute resolution)(V2),the normalized vertical derivative of the total horizontal derivative(NVDR-THDR)technique was used to study the boundary of the Caroline Plate.Results show that the northern boundary is a transform fault that runs 1400 km long in approximately 28 km wide along the N8°in E-W direction.The eastern boundary is an NNW-SSE trending fault zone and subduction zone with a width of tens to hundreds of kilometers;and the north of N4°is a fracture zone of dense faults.The southeastern boundary may be the Lyra Trough.The area between the southwestern part of the Caroline Plate and the Ayu Trough is occupied by a wide shear zone up to 100 km wide in nearly S-N trending in general.The Eauripik transform fault(ETF)in the center of the Caroline Plate and the fault zones in the east and west basins are mostly semi-parallel sinistral NNW-SSE–trending faults,which together with the eastern boundary Mussau Trench(MT)sinistral fault,the northern Caroline transform fault(CTF),and the southern shear zone of the western boundary,indicates the sinistral characteristics of the Caroline Plate.The Caroline hotspot erupted in the Pacific Plate near the CTF and formed the west Caroline Ridge,and then joined with the Caroline transform fault at the N8°.A large amount of magma erupted along the CTF,by which the east Caroline Ridge was formed.At the same time,a large amount of magma developed southward via the eastern branch of the ETF,forming the northern segment of the Eauripik Rise.Therefore,the magmatic activity of the T-shaped large igneous province is obviously related to the fault structure of the boundary faults between the Caroline Plate and Pacific Plate,and the active faults within the Caroline Plate. 展开更多
关键词 Caroline Plate magnetic anomaly normalized vertical derivative of the total horizontal derivative plate boundary Caroline Ridge Eauripik Rise
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Double-Pole Solution and SolitonAntisoliton Pair Solution of MNLSE/DNLSE Based upon Hirota Method
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作者 LUO Runjia ZHOU Guoquan 《Wuhan University Journal of Natural Sciences》 CAS CSCD 2024年第5期430-438,共9页
Hirota method is applied to solve the modified nonlinear Schrodinger equation/the derivative nonlinear Schrodinger equation(MNLSE/DNLSE) under nonvanishing boundary conditions(NVBC) and lead to a single and double-pol... Hirota method is applied to solve the modified nonlinear Schrodinger equation/the derivative nonlinear Schrodinger equation(MNLSE/DNLSE) under nonvanishing boundary conditions(NVBC) and lead to a single and double-pole soliton solution in an explicit form. The general procedures of Hirota method are presented, as well as the limit approach of constructing a soliton-antisoliton pair of equal amplitude with a particular chirp. The evolution figures of these soliton solutions are displayed and analyzed. The influence of the perturbation term and background oscillation strength upon the DPS is also discussed. 展开更多
关键词 nonlinear partial differential equation integrable system Hirota's bilinear derivative method soliton solution the derivative Schrodinger equation nonlinear optics
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Fullerenes and derivatives as electrocatalysts: Promises and challenges
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作者 Kun Guo Ning Li +1 位作者 Lipiao Bao Xing Lu 《Green Energy & Environment》 SCIE EI CAS CSCD 2024年第1期7-27,共21页
Carbon-based metal-free nanomaterials are promising alternatives to precious metals as electrocatalysts of key energy storage and conversion technologies.Of paramount significance are the establishment of design princi... Carbon-based metal-free nanomaterials are promising alternatives to precious metals as electrocatalysts of key energy storage and conversion technologies.Of paramount significance are the establishment of design principles by understanding the catalytic mechanisms and identifying the active sites.Distinct from sp2-conjugated graphene and carbon nanotube,fullerene possesses unique characteristics that are growingly being discovered and exploited by the electrocatalysis community.For instance,the well-defined atomic and molecular structures,the good electron affinity to tune the electronic structures of other substances,the intermolecular self-assembly into superlattices,and the on-demand chemical modification have endowed fullerene with incomparable advantages as electrocatalysts that are otherwise not applicable to other carbon ma-terials.As increasing studies are being reported on this intriguing topic,it is necessary to provide a state-of-the-art overview of the recent progress.This review takes such an initiative by summarizing the promises and challenges in the electrocatalytic applications of fullerene and its derivatives.The content is structured according to the composition and structure of fullerene,including intact fullerene(e.g.,fullerene composite and superlattices)and fullerene derivatives(e.g.,doped,endohedral,and disintegrated fullerene).The synthesis,characterization,catalytic mechanisms,and deficiencies of these fullerene-based materials are explicitly elaborated.We conclude it by sharing our perspectives on the key aspects that future efforts shall consider. 展开更多
关键词 FULLERENE Fullerene derivative Metal-free catalyst Structural defect ELECTROCATALYST
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A REFINEMENT OF THE SCHWARZ-PICK ESTIMATES AND THE CARATHéODORY METRIC IN SEVERAL COMPLEX VARIABLES
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作者 Xiaosong LIU Taishun LIU 《Acta Mathematica Scientia》 SCIE CSCD 2024年第4期1337-1346,共10页
In this article,we first establish an asymptotically sharp result on the higher order Fréchet derivatives for bounded holomorphic mappings f(x)=f(0)+∞∑s=1Dskf(0)(x^(sk))/(sk)!:B_(X)→B_(Y),where B_X is the unit... In this article,we first establish an asymptotically sharp result on the higher order Fréchet derivatives for bounded holomorphic mappings f(x)=f(0)+∞∑s=1Dskf(0)(x^(sk))/(sk)!:B_(X)→B_(Y),where B_X is the unit ball of X.We next give a sharp result on the first order Fréchet derivative for bounded holomorphic mappings F(X)=F(0+)∞∑s=KD^(s)f(0)(x^(8)/s!):B_(X)→B_(Y),where B_(X)is the unit ball of X.The results that we derive include some results in several complex variables,and extend the classical result in one complex variable to several complex variables. 展开更多
关键词 refined Schwarz-Pick estimate bounded holomorphic mapping Carathéodory metric first order Fréchet derivative higher order Fréchet derivatives
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New Second-Level-Discrete Zeroing Neural Network for Solving Dynamic Linear System
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作者 Min Yang 《IEEE/CAA Journal of Automatica Sinica》 SCIE EI CSCD 2024年第6期1521-1523,共3页
Dear Editor,This letter deals with a new second-level-discretization method with higher precision than the traditional first-level-discretization method.Specifically,the traditional discretization method utilizes the ... Dear Editor,This letter deals with a new second-level-discretization method with higher precision than the traditional first-level-discretization method.Specifically,the traditional discretization method utilizes the first-order time derivative information,and it is termed first-level-discretization method.By contrast,the new discretization method not only utilizes the first-order time derivative information,but also makes use of the second-order derivative information.By combining the new second-level-discretization method with zeroing neural network(ZNN),the second-level-discrete ZNN(SLDZNN)model is proposed to solve dynamic(i.e.,time-variant or time-dependent)linear system.Numerical experiments and application to angle-of-arrival(AoA)localization show the effectiveness and superiority of the SLDZNN model. 展开更多
关键词 method DERIVATIVE utilize
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Input-to-State Stability of Impulsive Switched Systems Involving Uncertain Impulse-Switching Moments
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作者 Chang Liu Wenlu Liu +1 位作者 Tengda Wei Xiaodi Li 《IEEE/CAA Journal of Automatica Sinica》 SCIE EI CSCD 2024年第6期1515-1517,共3页
Dear Editor,This letter studies the input-to-state stability(ISS)for a class of impulsive switched systems,where uncertain impulse-switching moments are involved.The robustness of ISS with respect to the perturbations... Dear Editor,This letter studies the input-to-state stability(ISS)for a class of impulsive switched systems,where uncertain impulse-switching moments are involved.The robustness of ISS with respect to the perturbations of the occurrence time of impulse-switching moments is revealed by several less conservative dwell-time conditions for the uncertain impulse-switching moments combined with Lyapunov conditions.Moreover,the Lyapunov conditions have multiple coefficients at discrete time so as to handle the hybrid effect of impulse-switching moments,and the case that time derivative of Lyapunov function is indefinite is also taken into account.Finally,a numerical example is proposed to illustrate the effectiveness of the theoretical results. 展开更多
关键词 LETTER CONSERVATIVE DERIVATIVE
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Organic solar cells with D18 or derivatives offer efficiency over 19%
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作者 Erming Feng Chujun Zhang +3 位作者 Jianhui Chang Hengyue Li Liming Ding Junliang Yang 《Journal of Semiconductors》 EI CAS CSCD 2024年第5期1-4,共4页
In recent years,organic solar cells(OSCs)have garnered significant attention due to their distinctive attributes,such as flexibility,lightweight,and solution processing,which position them as alternatives for next-gen... In recent years,organic solar cells(OSCs)have garnered significant attention due to their distinctive attributes,such as flexibility,lightweight,and solution processing,which position them as alternatives for next-generation solar technologies[1−5].Thanks to breakthroughs in materials development,the power conversion efficiency(PCE)for single-junction OSCs has already surpassed 19%[6−13].The development of photoactive materials is pivotal in enhancing the PCEs,and several reviews have provided insights into materials design[14−18].Herein,we highlight single-junction OSCs based on D18 and its derivatives[19,20]. 展开更多
关键词 BREAKTHROUGH INSIGHT DERIVATIVES
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Time-dependent behavior and permeability evolution of limestone under hydro-mechanical coupling
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作者 WANG Zhilong ZENG Zhengqiang +3 位作者 LYU Cheng WANG Mingnian HU Xiongyu DONG Yucang 《Journal of Mountain Science》 SCIE CSCD 2024年第5期1697-1714,共18页
Excessively high pore water pressure presents unpredictable risks to the safety of rock tunnels in mountainous regions that are predominantly composed of limestone. Investigating the creep characteristics and permeabi... Excessively high pore water pressure presents unpredictable risks to the safety of rock tunnels in mountainous regions that are predominantly composed of limestone. Investigating the creep characteristics and permeability evolution of limestone under varying hydrated conditions is crucial for a better understanding of the delayed deformation mechanisms of limestone rock tunnels. To this end, this paper initially conducts a series of multi-stage triaxial creep tests on limestone samples under varying pore water pressures. The experiment examines how pore water pressure affects limestone’s creep strain, strain rate, long-term strength, lifespan, and permeability, all within the context of hydraulicmechanical(HM) coupling. To better describe the creep behavior associated with pore water pressure, this paper proposes a new nonlinear fractional creep constitutive model. This constitutive model depicts the initial, steady-state, and accelerated phases of limestone’s creep behavior. Finally, the proposed model is applied to the numerical realization of deformation in limestone tunnel, validating the effectiveness of the proposed constitutive model in predicting tunnel’s creep deformation. This research enhances our understanding of limestone’s creep characteristics and permeability evolution under HM coupling, laying a foundation for assessing the longterm stability of mountain tunnels. 展开更多
关键词 Creep test Hydraulic-mechanical coupling Creep constitutive model Fractional derivatives Pore pressure
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Strong metal-support interactions between highly dispersed Cu^(+) species and ceria via mix-MOF pyrolysis toward promoted water-gas shift reaction
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作者 Xiao-Chen Sun Xing-Chi Li +7 位作者 Ze-Wei Xie Chen-Yue Yuan De-Jiu Wang Qian Zhang Xiao-Yu Guo Hao Dong Hai-Chao Liu Ya-Wen Zhang 《Journal of Energy Chemistry》 SCIE EI CAS CSCD 2024年第4期475-483,共9页
The modulation of metal-support interfacial interaction is significant but challenging in the design of high-efficiency and high-stability supported catalysts.Here,we report a synthetic strategy to upgrade Cu-CeO_(2)i... The modulation of metal-support interfacial interaction is significant but challenging in the design of high-efficiency and high-stability supported catalysts.Here,we report a synthetic strategy to upgrade Cu-CeO_(2)interfacial interaction by the pyrolysis of mixed metal-organic framework(MOF)structure.The obtained highly dispersed Cu/CeO_(2)-MOF catalyst via this strategy was used to catalyze water-gas shift reaction(WGSR),which exhibited high activity of 40.5μmolCOgcat^(-1).s^(-1)at 300℃and high stability of about 120 h.Based on comprehensive studies of electronic structure,pyrolysis strategy has significant effect on enhancing metal-support interaction and then stabilizing interfacial Cu^(+)species under reaction conditions.Abundant Cu^(+)species and generated oxygen vacancies over Cu/CeO_(2)-MOF catalyst played a key role in CO molecule activation and H2O molecule dissociation,respectively.Both collaborated closely and then promoted WGSR catalytic performance in comparison with traditio nal supported catalysts.This study shall offer a robust approach to harvest highly dispersed catalysts with finely-tuned metal-support interactions for stabilizing the most interfacial active metal species in diverse heterogeneous catalytic reactions. 展开更多
关键词 Cu-based catalyst MOF derivative Water-gas shift reaction Metal-support interaction
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MOFs‑Derived Strategy and Ternary Alloys Regulation in Flower‑Like Magnetic‑Carbon Microspheres with Broadband Electromagnetic Wave Absorption
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作者 Mengqiu Huang Bangxin Li +7 位作者 Yuetong Qian Lei Wang Huibin Zhang Chendi Yang Longjun Rao Gang Zhou Chongyun Liang Renchao Che 《Nano-Micro Letters》 SCIE EI CAS CSCD 2024年第11期479-493,共15页
Broadband electromagnetic(EM)wave absorption materials play an important role in military stealth and health protection.Herein,metal–organic frameworks(MOFs)-derived magnetic-carbon CoNiM@C(M=Cu,Zn,Fe,Mn)microspheres... Broadband electromagnetic(EM)wave absorption materials play an important role in military stealth and health protection.Herein,metal–organic frameworks(MOFs)-derived magnetic-carbon CoNiM@C(M=Cu,Zn,Fe,Mn)microspheres are fabricated,which exhibit flower-like nano–microstructure with tunable EM response capacity.Based on the MOFs-derived CoNi@C microsphere,the adjacent third element is introduced into magnetic CoNi alloy to enhance EM wave absorption performance.In term of broadband absorption,the order of efficient absorption bandwidth(EAB)value is Mn>Fe=Zn>Cu in the CoNiM@C microspheres.Therefore,MOFs-derived flower-like CoNiMn@C microspheres hold outstanding broadband absorption and the EAB can reach up to 5.8 GHz(covering 12.2–18 GHz at 2.0 mm thickness).Besides,off-axis electron holography and computational simulations are applied to elucidate the inherent dielectric dissipation and magnetic loss.Rich heterointerfaces in CoNiMn@C promote the aggregation of the negative/positive charges at the contacting region,forming interfacial polarization.The graphitized carbon layer catalyzed by the magnetic CoNiMn core offered the electron mobility path,boosting the conductive loss.Equally importantly,magnetic coupling is observed in the CoNiMn@C to strengthen the magnetic responding behaviors.This study provides a new guide to build broadband EM absorption by regulating the ternary magnetic alloy. 展开更多
关键词 Magnetic-carbon microspheres MOFs derivatives Electromagnetic wave absorption Magnetic loss Broadband absorption
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Identification of key genes regulating the synthesis of quercetin derivatives in Rosa roxburghii through integrated transcriptomics and metabolomics
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作者 Liyao Su Min Wu +2 位作者 Tian Zhang Yan Zhong Zongming(Max) Cheng 《Journal of Integrative Agriculture》 SCIE CAS CSCD 2024年第3期876-887,共12页
Rosa roxburghii fruit is rich in flavonoids, but little is known about their biosynthetic pathways. In this study, we employed transcriptomics and metabolomics to study changes related to the flavonoids at five differ... Rosa roxburghii fruit is rich in flavonoids, but little is known about their biosynthetic pathways. In this study, we employed transcriptomics and metabolomics to study changes related to the flavonoids at five different stages of R. roxburghii fruit development. Flavonoids and the genes related to their biosynthesis were found to undergo significant changes in abundance across different developmental stages, and numerous quercetin derivatives were identified. We found three gene expression modules that were significantly associated with the abundances of the different flavonoids in R. roxburghii and identified three structural UDP-glycosyltransferase genes directly involved in the synthesis of quercetin derivatives within these modules. In addition, we found that RrBEH4, RrLBD1 and RrPIF8could significantly increase the expression of downstream quercetin derivative biosynthesis genes. Taken together,these results provide new insights into the metabolism of flavonoids and the accumulation of quercetin derivatives in R. roxburghii. 展开更多
关键词 Rosa roxburghii quercetin derivatives weighted gene co-expression network analysis transcription factor transcriptome METABOLOME
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Discovery and structure-activity relationship studies of novel tetrahydro-β-carboline derivatives as apoptosis initiators for treating bacterial infections
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作者 Shanshan Su Hongwu Liu +7 位作者 Junrong Zhang Puying Qi Yue Ding Ling Zhang Linli Yang Liwei Liu Xiang Zhou Song Yang 《Journal of Integrative Agriculture》 SCIE CAS CSCD 2024年第4期1259-1273,共15页
Developing and excavating new agrochemicals with highly active and safe is an important tactic for protecting crop health and food safety.In this paper,to discover the new bactericide candidates,we designed,prepared a... Developing and excavating new agrochemicals with highly active and safe is an important tactic for protecting crop health and food safety.In this paper,to discover the new bactericide candidates,we designed,prepared a new type of1,2,3,4-tetrahydro-β-carboline(THC)derivatives and evaluated the in vitro and in vivo bioactivities against the Xanthomonas oryzae pv.oryzae(Xoo),Xanthomonas axonopodis pv.citri(Xac),and Pseudomonas syringae pv.actinidiae(Psa).The in vitro bioassay results exhibited that most title molecules possessed good activity toward the three plant pathogenic bacteria,the compound A17 showed the most active against Xoo and Xac with EC50 values of 7.27 and 4.89 mg mL^(-1)respectively,and compound A8 exhibited the best inhibitory activity against Psa with EC50value of 4.87 mg mL^(-1).Pot experiments showed that compound A17 exhibited excellent in vivo antibacterial activities to manage rice bacterial leaf blight and citrus bacterial canker,with protective efficiencies of 52.67 and 79.79%at 200 mgmL^(-1),respectively.Meanwhile,compound A8 showed good control efficiency(84.31%)against kiwifruit bacterial canker at 200 mg mL^(-1).Antibacterial mechanism suggested that these compounds could interfere with the balance of the redox system,damage the cell membrane,and induce the apoptosis of Xoo cells.Taken together,our study revealed that tetrahydro-β-carboline derivatives could be a promising candidate model for novel broadspectrum bactericides. 展开更多
关键词 tetrahydro-β-carboline derivatives antibacterial activity ROS cell apoptosis
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Rational molecular engineering towards efficient heterojunction solar cells based on organic molecular acceptors
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作者 张凯彦 宋朋 +1 位作者 马凤才 李源作 《Chinese Physics B》 SCIE EI CAS CSCD 2024年第6期575-587,共13页
The selection of photoactive layer materials for organic solar cells(OSCs) is essential for the photoelectric conversion process.It is well known that chlorophyll is an abundant pigment in nature and is extremely valu... The selection of photoactive layer materials for organic solar cells(OSCs) is essential for the photoelectric conversion process.It is well known that chlorophyll is an abundant pigment in nature and is extremely valuable for photosynthesis.However,there is little research on how to improve the efficiency of chlorophyll-based OSCs by matching chlorophyll derivatives with excellent non-fullerene acceptors to form heterojunctions.Therefore in this study we utilize a chlorophyll derivative,Ce_(6)Me_(3),as a donor material and investigate the performance of its heterojunction with acceptor materials.Through density functional theory,the photoelectric performances of acceptors,i ncluding the fullerene derivative PC_(71)BM and the terminal halogenated non-fullerene DTBCIC series,are compared in detail.It is found that DTBCIC-C1 has better planarity,light absorption,electron affinity,charge reorganization energy and charge mobility than others.Ce_(6)Me_(3) has good energy level matching and absorption spectral complementarity with the investigated acceptor molecules and also shows good electron donor properties.Furthermore,the designed Ce_(6)Me_(3)/DTBCIC interfaces have improved charge separation and reorganization rates(K_(CS)/K_(CR)) compared with the Ce_(6)Me_(3)/PC_(71)BM interface.This research provides a theoretical basis for the design of photoactive layer materials for chlorophyll-based OSCs. 展开更多
关键词 organic solar cells density functional theory chlorophyll derivative non-fullerene acceptors
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Characterizations of semihoops based on derivations
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作者 WANG Mei ZHANG Xiao-hong 《Applied Mathematics(A Journal of Chinese Universities)》 SCIE CSCD 2024年第2期291-310,共20页
In this paper,we discuss the related properties of some particular derivations in semihoops and give some characterizations of them.Then,we prove that every Heyting algebra is isomorphic to the algebra of all multipli... In this paper,we discuss the related properties of some particular derivations in semihoops and give some characterizations of them.Then,we prove that every Heyting algebra is isomorphic to the algebra of all multiplicative derivations and show that every Boolean algebra is isomorphic to the algebra of all implicative derivations.Finally,we show that the sets of multiplicative and implicative derivations on bounded regular idempotent semihoops are in oneto-one correspondence. 展开更多
关键词 (prelinear)semihoop DERIVATION Heyting algebra Galois connection
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A New Scheme of the ARA Transform for Solving Fractional-Order Waves-Like Equations Involving Variable Coefficients
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作者 Yu-Ming Chu Sobia Sultana +2 位作者 Shazia Karim Saima Rashid Mohammed Shaaf Alharthi 《Computer Modeling in Engineering & Sciences》 SCIE EI 2024年第1期761-791,共31页
The goal of this research is to develop a new,simplified analytical method known as the ARA-residue power series method for obtaining exact-approximate solutions employing Caputo type fractional partial differential e... The goal of this research is to develop a new,simplified analytical method known as the ARA-residue power series method for obtaining exact-approximate solutions employing Caputo type fractional partial differential equations(PDEs)with variable coefficient.ARA-transform is a robust and highly flexible generalization that unifies several existing transforms.The key concept behind this method is to create approximate series outcomes by implementing the ARA-transform and Taylor’s expansion.The process of finding approximations for dynamical fractional-order PDEs is challenging,but the ARA-residual power series technique magnifies this challenge by articulating the solution in a series pattern and then determining the series coefficients by employing the residual component and the limit at infinity concepts.This approach is effective and useful for solving a massive class of fractional-order PDEs.Five appealing implementations are taken into consideration to demonstrate the effectiveness of the projected technique in creating solitary series findings for the governing equations with variable coefficients.Additionally,several visualizations are drawn for different fractional-order values.Besides that,the estimated findings by the proposed technique are in close agreement with the exact outcomes.Finally,statistical analyses further validate the efficacy,dependability and steady interconnectivity of the suggested ARA-residue power series approach. 展开更多
关键词 ARA-transform Caputo fractional derivative residue-power seriesmethod analytical solutions statistical analysis
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Chlorofullerene C_(60)Cl_(6) Enables Efficient and Stable Tin-Based Perovskite Solar Cells
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作者 Jingfu Chen Chengbo Tian +8 位作者 Chao Sun Panpan Yang Wenjing Feng Lingfang Zheng Liu Yang Enlong Hou Jiefeng Luo Liqiang Xie Zhanhua Wei 《Energy & Environmental Materials》 SCIE EI CAS CSCD 2024年第1期176-183,共8页
Tin-based perovskite solar cells(TPSCs)have received great attention due to their eco-friendly properties and high theoretical efficiencies.However,the fast crystallization feature of tin-based perovskites leads to po... Tin-based perovskite solar cells(TPSCs)have received great attention due to their eco-friendly properties and high theoretical efficiencies.However,the fast crystallization feature of tin-based perovskites leads to poor film quality and limits the corresponding device performance.Herein,a chlorofullerene,C_(60)Cl_(6),with six chlorine attached to the C_(60)cage,is applied to modulate the crystallization process and passivate grain boundary defects of the perovskite film.The chemical interactions between C_(60)Cl_(6)and perovskite components retard the transforming process of precursors to perovskite crystals and obtain a high-quality tin-based perovskite film.It is also revealed that the C_(60)Cl_(6)located at the surfaces and grain boundaries can not only passivate the defects but also offer a role in suturing grain boundaries to suppress the detrimental effects of water and oxygen on perovskite films,especially the oxidation of Sn^(2+)to Sn^(4+).As a result,the C_(60)Cl_(6)-based device yields a remarkably improved device efficiency from 10.03%to 13.30%with enhanced stability.This work provides a new strategy to regulate the film quality and stability of TPSCs using functional fullerene materials. 展开更多
关键词 crystallization regulation defect passivation fullerene derivative perovskites solar cell tin-based perovskite
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A creep model for ultra-deep salt rock considering thermal-mechanical damage under triaxial stress conditions
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作者 Chao Liang Jianfeng Liu +3 位作者 Jianxiong Yang Huining Xu Zhaowei Chen Lina Ran 《Journal of Rock Mechanics and Geotechnical Engineering》 SCIE CSCD 2024年第2期588-596,共9页
To investigate the specific creep behavior of ultra-deep buried salt during oil and gas exploitation,a set of triaxial creep experiments was conducted at elevated temperatures with constant axial pressure and unloadin... To investigate the specific creep behavior of ultra-deep buried salt during oil and gas exploitation,a set of triaxial creep experiments was conducted at elevated temperatures with constant axial pressure and unloading confining pressure conditions.Experimental results show that the salt sample deforms more significantly with the increase of applied temperature and deviatoric loading.The accelerated creep phase is not occurring until the applied temperature reaches 130℃,and higher temperature is beneficial to the occurrence of accelerated creep.To describe the specific creep behavior,a novel three-dimensional(3D)creep constitutive model is developed that incorporates the thermal and mechanical variables into mechanical elements.Subsequently,the standard particle swarm optimization(SPSO)method is adopted to fit the experimental data,and the sensibility of key model parameters is analyzed to further illustrate the model function.As a result,the model can accurately predict the creep behavior of salt under the coupled thermo-mechanical effect in deep-buried condition.Based on the research results,the creep mechanical behavior of wellbore shrinkage is predicted in deep drilling projects crossing salt layer,which has practical implications for deep rock mechanics problems. 展开更多
关键词 Creep experiments Creep model Thermal and mechanical damage Fractional derivative
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