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Frontiers of Chemical Science and Engineering 2024年第5期18卷 105-114页

作者： Stoyan P.Gramatikov Petko St.Petkov Zhendong Wang Weimin Yang Georgi N.Vayssilov Faculty of Chemistry and Pharmacy University of Sofia1126 SofiaBulgaria State Key Laboratory of green Chemical Engineering and ind.strial Catalysis Sinopec Shanghai Research Institute of Petrochemical Technology Co.Ltd.Shanghai 201208China

We report results from co.putational modeling of the relative stability of germanosilicate SCM-15 structure due to different distribution of germanium heteroatoms in the double four-member rings(D4Rs)of the framework and the orientation of the structure directing agent(SDA)molecules in the as-synthesized *** calculated relative energies of the bare zeolite framework suggest that structures with germanium ions clustered in the same D4Rs,e.g.,with large number of Ge–O-Ge co.tacts,are the most *** simulations of various orientations of the SDA in the pores of the germanosilicate zeolite show different stability order-the most stable models are the structures with germanium spread among all ***,for SCM-15 the stabilization due to the presence of the SDA and their orientation,is thermodynamic factor directing both the formation of specific framework type and Ge distribution in the framework during the *** relative stability of bare structures with different germanium distribution is of minor *** differs from SCM-14 germanosilicate,reported earlier,for which the stability order is preserved in presence of ***,even for zeolites with the same chemical co.position and SDA,the characteristics of their framework lead to different energetic preference for germanium distribution.

关键词： zeolite density functional theory structure-directing agent SCM-15

Effect of Lightweight Aggregates Inco.poration on the Mechanical Properties and Shrinkage co.pensation of a Cement-Ground Granulated Blast Furnace Slag-Phosphogypsum Ternary System

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Fluid Dynamics & Materials Processing 2024年第8期20卷 1773-1784页

作者： Yu Wang Mengyang Ma Yong Long Qingxiang Zhao Zhifei Cheng State Key Laboratory of Bridge Intelligent and green co.struction China Railway Major Bridge Engineering Group Co.Ltd.Wuhan430034China China Railway Bridge Science Research Institute. Ltd.Wuhan430034China

Shrinkage-ind.ced cracking is a co.mon issue in co.crete structures,where the formation of cracks not only affects the aesthetic appearance of co.crete but also potentially reduces its durability and *** this study,the effect of ceramsite sand addition on the properties of a ternary system of cement-ground granulated blast furnace slag(GGBFS)-phosphogypsum(PG)is *** particular,the fluidity,rheology,hydration heat,co.pressive strength,autogenous shrinkage,and drying shrinkage of the co.sidered mortar specimens are *** results ind.cate that an increase in PG co.tent leads to a decrease in fluidity,higher visco.ity,lower exothermic peak,and lower co.pressive ***,the shrinkage of the mortar specimens is effectively *** inco.poration of internal curing water from ceramsite sand improves fluidity,decreases both yield stress and visco.ity,enhances the degree of hydration,and ind.ces mortar ***,the inferior mechanical properties of the ceramsite sand generally produce a decrease in the co.pressive strength.

关键词： Phosphogypsum ceramsite sand internal curing mechanical property shrinkage

Risk assessment,fitness co.t,cross-resistance,and mechanism of tetraniliprole resistance in the rice stem borer,Chilo suppressalis

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Insect Science 2024年第3期31卷 835-846页

作者： Hao Sun Shuai Wang Chong Liu Wen-Kai Hu Jin-Wei Liu Ling-Jun Zheng Meng-Yue Gao Fang-Rui Guo Song-Tao Qiao Jun-Li Liu Bo Sun co.g-Fen Gao Shun-Fan Wu co.lege of Plant Protection Nanjing Agricultural UniversityState&Local Joint Engineering Research Center of Green Pesticide Invention and ApplicationNanjingChina Bayer Cropscience(China)co. Ltd.HangzhouChina

The rice stem borer(RSB),Chilo suppressalis,a notorious rice pest in China,has evolved a high resistance level to co.monly used ***,a new anthranilic diamide insecticide,effectively co.trols multiple pests,including ***,the potential resistance risk of RSB to tetraniliprole is still *** this study,the tetraniliprole-selection(Tet-R)strain was obtained through 10 co.tinuous generations of selection with tetraniliprole 30%lethal co.centration(LC_(30)).The realized heritability(h^(2))of the Tet-R strain was 0.387,ind.cating that resistance of RSB to tetraniliprole developed rapidly under the co.tinuous selection of *** Tet-R strain had a high fitness co.t(relative fitness=0.53).We established the susceptibility baseline of RSB to tetraniliprole(lethal co.centration at LC_(50)=0.727 mg/L)and investigated the resistance level of 6 field populations to *** tested strains that had resistance to chlorantraniliprole exhibited moderate-to high-level resistance to tetraniliprole(resistance ratio=27.7-806.8).Detection of ryanodine receptor(RyR)mutations showed that the Y4667C,Y4667D,I4758M,and Y4891F mutations were present in tested RSB field *** mutations were responsible for the cross-resistance between tetraniliprole and ***,the clustered regularly interspaced palind.omic repeats(CRISPR)/CRISPR-associated protein 9-mediated genome-modified flies were used to study the co.tribution of RyR mutations to tetraniliprole *** order of co.tribution of a single RyR mutation to tetraniliprole resistance was Y4667D>G4915E>Y4667C~~I4758M>*** addition,the I4758M and Y4667C double mutations co.ferred higher tetraniliprole resistance than single Y4667C *** results can guide resistance management practices for diamides in RSB and other arthropods.

关键词： Chilo suppressalis diamide resistance fitness co.t cross-resistance RyR target-site mutations

Preparation of sodium molybdate from molybdenum co.centrate by microwave roasting and alkali leaching

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International Journal of Minerals,Metallurgy and Materials 2024年第1期31卷 91-105页

作者： Fengjuan Zhang Chenhui Liu Srinivasakannan Chandrasekar Yingwei Li Fuchang Xu School of Chemistry and Environment Yunnan Minzu UniversityKunming 650500China Chemical Engineering Department Khalifa UniversityAbu DhabiUAE Yunnan Zhong Tai Technology co. Ltd.Kunming 650500China Yunnan Yongchang Silico. ind.stry co. Ltd.Baoshan 678000China

The preparation process of sodium molybdate has the disadvantages of high energy co.sumption,low thermal efficiency,and high raw material requirement of molybdenum trioxide,in order to realize the green and efficient development of molybdenum co.centrate resources,this paper proposes a new process for efficient reco.ery of molybdenum from molybdenum co.centrate and preparation of sodium molybdate by microwave-enhanced roasting and alkali *** analysis ind.cated the feasibility of oxidation roasting of molybdenum *** effects of roasting temperature,holding time,and power-to-mass ratio on the oxidation product and leaching product sodium molybdate (Na_(2)MoO_(4)·2H_(2)O) were *** the optimal process co.ditions:roasting temperature of 700℃,holding time of 110 min,and power-to-mass ratio of 110 W/g,the molybdenum state of existence was co.verted from MoS_(2) to Mo *** process of preparing sodium molybdate by alkali leaching of molybdenum calcine was investigated,the optimal leaching co.ditions include a solution co.centration of 2.5 mol/L,a liquid-to-solid ratio of 2 mL/g,a leaching temperature of 60℃,and leaching solution termination at pH *** optimum co.ditions result in a leaching rate of sodium molybdate of 96.24%.Meanwhile,the co.tent of sodium molybdate reaches 94.08wt%after leaching and removing *** and aluminum impurities can be effectively separated by adjusting the pH of the leaching solution with sodium carbonate *** research avoids the shortco.ings of the traditional process and utilizes the advantages of microwave metallurgy to prepare high-quality sodium molybdate,which provides a new idea for the highvalue utilization of molybdenum co.centrate.

关键词： molybdenum metallurgy microwave oxidation roasting removing impurities sodium hydroxide leaching

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Metal size effects over metal/zeolite bifunctional catalysts in the selective hydroalkylation of benzene

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Frontiers of Chemical Science and Engineering 2024年第4期18卷 107-114页

作者： Junjie Li Chuang Liu Zhenlong Jia Yingchun Ye Dawei Lan Wei Meng Jianqiang Wang Zhendong Wang Yongfeng Hu Weimin Yang State Key Laboratory of green Chemical Engineering and ind.strial Catalysis Sinopec Shanghai Research Institute of Petrochemical Technology Co.Ltd.Shanghai 201208China School of Chemical Engineering East China University of Science and TechnologyShanghai 200237China

Bifunctional metal/zeolite materials are some of the most suitable catalysts for the direct hydroalkylation of benzene to *** overall catalytic performance of this reaction is strongly influenced by the hydrogenation,which is dependent on the metal ***,systematically investigating the metal size effects in the hydroalkylation of benzene is *** this work,we successfully synthesized Ru and Pd nanoparticles on Sinopec co.position Materials No.1 zeolite with various metal *** demonstrated the size-dependent catalytic activity of zeolite-supported Ru and Pd catalysts in the hydroalkylation of benzene,which can be attributed to the size-ind.ced hydrogen spillover capability *** work presents new insights into the hydroalkylation reaction and may open up a new avenue for the smart design of advanced metal/zeolite bi-functional catalysts.

关键词： size effects bifunctional catalysts metal/zeolite hydroalkylation

Studying the variable energy band structure for energy storage materials in charge/discharge process

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Chinese Chemical Letters 2024年第2期35卷 584-589页

作者： Xuancheng Chen Yu Huan Ningqiang Sun Yuanhui Su Xuesong Shen Guoqing Li Jiaqi Zhang Tao Wei University of Jinan Ji'nan 250022China Weichai Power co. Ltd.Weifang 261061China

So far,a clear understanding about the relationship of variable energy band structure with the co.responding charge-discharge process of energy storage materials is still ***,using optical spectrosco.y(red-green-blue(RGB)value,reflectivity,transmittance,UV-vis,XPS,UPS)to studyα-co.OH)_(2) electrode working in KOH electrolyte as the research object,we provide direct experimental evidence that:(1)The intercalation of OH-ions will reduce the valence/co.duction band(VB and CB)and band gap energy(Eg)values;(2)The deintercalation of OH-ions co.responds with the reversion of VB,CB and E_(g) to the initial values;(3)The co.or of co.OH)_(2) electrode also exhibit regular variations in RGB value during the charge-discharge process.

关键词： Variable energy band structure Energy storage materials Charge-discharge process Optical spectrosco.y Supercapacitors

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A chiral fluorescent probe for molecular reco.nition of basic amino acids in solutions and cells

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Chinese Chemical Letters 2024年第10期35卷 390-395页

作者： Chuan-Zhi Ni Ruo-Ming Li Fang-Qi Zhang Qu-Ao-Wei Li Yuan-Yuan Zhu Jie Zeng Shuang-Xi Gu School of Chemistry and Environmental Engineering School of Chemical Engineering & Pharmacy Pharmaceutical Research Institute Hubei Key Laboratory of Novel Reactor and Green Chemical Technology Wuhan Institute of Technology Nanjing Pusheng Biomedical co. Ltd.

A novel and readily available binaphthyl-based fluorescent probe（S）-1 was designed and synthesized.（S）-1 can be used to not only chemoselectively discriminate 3 basic amino acids out of co.mon amino acids, but also enantioselectively reco.nize histidine. Enco.ragingly, enantioselective imaging of histidine in cells was achieved for the first time by the probe（S）-1. These performances endowed it potential application in the chiral analysis of basic amino acids in asymmetric synthesis and cell imaging for diagnosis of diseases caused by racemization of histidine. Nuclear magnetic resonance（NMR） and mass spectrometry investigations suggested that different reaction extent of（S）-1 with L/D-histidine and different product structures generated the observed enantioselective fluorescent response. The molecular structures and thermodynamic stability of the co.plexes, formed from（S）-1 + Zn2+and enantiomers of histidine, were calculated by Gaussian 16 based on density functional theory（DFT） to validate the above action mechanism.

关键词： Basic amino acids Cell imaging Chemoselectivity Chiral reco.nition Enantioselectivity Fluorescent probe

Application of C30 tetracyclic polyprenoids as effective biomarker in oil-to source rock co.relation in the Zhu Ⅲ depression,Zhujiangkou Basin,northern South China

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Acta Oceanologica Sinica 2024年第08期 37-46页

作者： Lei Lan Youchuan Li Shuchun Yang Yang Ouyang Wenjing Ding Qing Lin Shanshan Zhou CNOOC Research Institute co. Ltd.

The northern South China Sea, including the Zhujiangkou Basin and the Beibuwan Basin, developed high-quality lacustrine source rocks during the Eocene rifting period. These source rocks are vital for hydrocarbon generation in the northern South China Sea. The Zhu Ⅰ depression in the Zhujiangkou Basin and the Beibuwan Basin typically exhibit high abundance of C304-methyl steranes. However, shales in the Eocene Wenchang Formation in the Zhu Ⅲ depression of the Zhujiangkou Basin co.tains lower quantities of high-quality lacustrine source rocks with 4-methyl steranes, which often co.elute with some pentacyclic triterpanes in gas chromatography-mass spectrometry（GC-MS）. Therefore, the single 4-methylsterane parameter based on GC-MS cannot accurately distinguish organic source in the deep to semi-deep water lacustrine source rocks of the Wenchang Formation from other source rocks, thus impeding the reco.nition of their co.tributions to petroleum reservoirs. In this study, GC-MS of aliphatic hydrocarbons, palynofacies and algal identification, as well as stable carbon isotope data of organic matter were used to identify the algal species and co.struct the paleoclimate during deposition of the Wenchang Formation source rocks in the Zhu Ⅲ depression of the Zhujiangkou Basin. It is suggested that during the Wenchang Formation period, freshwater green algae prevailed in the lake, which is likely acco.nt for the relatively low co.tent of 4-methyl steranes in the high-quality lacustrine source rocks. co.trolled by the algal species, it is proposed that the co.tent of C30tetracyclic polyprenoids（TPP） can better ind.cate the quality of the Wenchang source rocks than C304-methyl steranes. co.sequently, a relationship between the TPP ind.x and the quality of the lacustrine source rocks in the Wenchang Formation of the Zhu Ⅲ depression was established. A higher TPP ind.x ind.cates higher organic matter abundance and hydrogen ind.x of the lacustrine source *** applied to the or

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Experimental and numerical investigation of the flexural performance of channel steel-bolt joint for prefabricated subway stations

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Frontiers of Structural and Civil Engineering 2024年第6期18卷 918-935页

作者： Lei WANG Shengyang ZHOU Xiangsheng CHEN Xian LIU Shuya LIU Dong SU Shouchao JIANG Qikai ZHU Haoyu YAO co.lege of Civil and Transportation Engineering Shenzhen UniversityShenzhen 518060China Key Laboratory of co.stal Urban Resilient Infrastructures(MOE) Shenzhen UniversityShenzhen 518061China Shenzhen Key Laboratory of green Efficient and Intelligent Construction of Underground Metro StationShenzhen UniversityShenzhen 518061China co.lege of Civil Engineering Tongji UniversityShanghai 200092China Shenzhen Municipal Design&Research co. Ltd.Shenzhen 518029China Shenzhen Metro Group co. Ltd.Shenzhen 518026China

Flexural performance of joints is critical for prefabricated *** study presents a novel channel steel-bolt(CB)joint for prefabricated subway ***-scale tests are carried out to investigate the flexural behavior of the CB joint under the design loads of the test-case *** addition,a three dimensional(3D)finite element(FE)model of the CB joint is established,inco.porating visco.s co.tact to simulate the bonding and detachment behaviors of the interface between channel steel and *** on the 3D FE model,the study examines the flexural bearing mechanism and influencing factors for the flexural performance of the CB *** results ind.cate that the flexural behavior of the CB joint exhibits significant nonlinear characteristics,which can be divided into four *** illustrate the piecewise linearity of the bending moment-rotational angle curve,a four-stage simplified model is proposed,which is easily applicable in engineering *** study reveals that axial force can enhance the flexural capacity of the CB joint,while the preload of the bolt has a negligible *** flexural capacity of the CB joint is approximate twice the value of the designed bending moment,demonstrating that the joint is suitable for the test-case station.

关键词： channel steel-bolt joint flexural performance full-scale test numerical simulation prefabricated subway station

Surface crack evolution patterns in freeze-thaw damage of fissured rock bodies

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Journal of Mountain Science 2024年第9期21卷 3094-3107页

作者： KANG Zhiqiang WANG Zhilei SHAO Luhang FENG Jiangjiang YAO Xulong co.lege of Mining Engineering North China University of Science and TechnologyTangshan 063200China green Intelligent Mining Technology Innovation Center of Hebei Province North China University of Science and TechnologyTangshan 063210China Luannan Macheng Mining co. Ltd.Shougang Group Co.LtdLuannan CountyTangshan 063500China

To explore the effects of freeze‒thaw cycles on the mechanical properties and crack evolution of fissured sandstone,biaxial co.pression experiments were carried out on sandstone subjected to freeze‒thaw cycles to characterize the changes in the physical and mechanical properties of fissured sandstone caused by freeze‒thaw *** crack evolution and crack change process on the surface of the fissured sandstone were reco.ded and analysed in detail via digital image technology(DIC).Numerical simulation was used to reveal the expansion process and damage mode of fine-scale cracks under the action of freeze‒thaw cycles,and the simulation results were co.pared and analysed with the experimental data to verify the reliability of the numerical *** results show that the mass loss,porosity,peak stress and elastic modulus all increase with increasing number of freeze‒thaw *** an increase in the number of freeze‒thaw cycles,a substantial change in displacement occurs around the prefabricated cracks,and a stress co.centration appears at the crack *** new cracks co.tinue to sprout at the tips of the prefabricated cracks until the microcracks gradually penetrate into the main cracks,the displacement cloud beco.es obviously disco.tinuous,and the co.tours of the displacement field in the crack fracture damage area simply intersect with the prefabricated cracks to form an obvious *** damage patterns of the fractured sandstone after freeze‒thaw cycles clearly differ,forming a symmetrical"L"-shaped damage pattern at zero freeze‒thaw cycles,a symmetrical"V"-shaped damage pattern at 10 freeze‒thaw cycles,and a"V"-shaped damage pattern at 20 freeze‒thaw *** 20 freeze‒thaw cycles,a"V"-shaped destruction pattern and"L"-shaped destruction pattern are formed;after 30 freeze‒thaw cycles,an"N"-shaped destruction pattern is *** shows that the failure mode of fractured sandstone gradually beco.es more co.plicated with an increasing number of freeze‒t

关键词： Freeze‒thaw cycles Fissured sandstone Particle flow software Rock mechanics Crack extension pattern DIC technique