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Intelligent geochemical interpretation of mass chromatograms:Based on convolution neural network

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Petroleum Science 2024年第2期21卷 752-764页

作者： Kai-Ming su Jun-gang Lu Jian Yu Zi-xing Lu Shi-Jia Chen Hubei Key Laboratory of Petroleum geochemistry and Environment Wuhan430100HubeiChina College of Resources and Environment Yangtze UniversityWuhan430100HubeiChina School of geoscience and Technology Southwest Petroleum UniversityChengdu610500SichuanChina Changqing Oilfield Company PetroChinaXi'an710021ShaanxiChina

gas chromatography-mass spectrometry(gC-MS)is an extremely important analytical technique that is widely used in organic *** is the only approach to capture biomarker features of organic matter and provides the key evidence for oil-source correlation and thermal maturity ***,the conventional way of processing and interpreting the mass chromatogram is both timeconsuming and labor-intensive,which increases the research cost and restrains extensive applications of this *** overcome this limitation,a correlation model is developed based on the convolution neural network(CNN)to link the mass chromatogram and biomarker features of samples from the Triassic Yanchang Formation,Ordos Basin,*** this way,the mass chromatogram can be automatically *** research first performs dimensionality reduction for 15 biomarker parameters via the factor analysis and then quantifies the biomarker features using two indexes(*** and PMI)that represent the organic matter thermal maturity and parent material type,***,training,interpretation,and validation are performed multiple times using different CNN models to optimize the model structure and hyper-parameter setting,with the mass chromatogram used as the input and the obtained MI and PMI values for supervision(label).The optimized model presents high accuracy in automatically interpreting the mass chromatogram,with R2values typically above 0.85 and0.80 for the thermal maturity and parent material interpretation results,*** significance of this research is twofold:(i)developing an efficient technique for geochemical research;(ii)more importantly,demonstrating the potential of artificial intelligence in organic geochemistry and providing vital references for future related studies.

关键词： Organic geochemistry Biomarker Mass chromatographic analysis Automated interpretation Convolution neural network Machine learning

Diastereoselective Photoreaction of Ir(III) Amine Complexes for generation of New Multidentate Ligands in situ via a Postcoordinated Interligand-Coupling Strategy

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Chinese Journal of Chemistry 2021年第11期39卷 2995-3003页

作者： xing-Yang Chen su-Yang Yao Li-Ping Li Bao-Hui Ye MOE Key Laboratory of Bioinorganic and Synthetic Chemistry School of ChemistrySun Yat-sen UniversityGuangzhouGuangdong510275 China Department of Chemistry Guangdong University of EducationGuangzhouGuangdong510303 China

The diastereoselective photoreactions of Ir(III)-amine and Ir(III)-diamine complexes are observed in the presence of ***Ʌ-[Ir(pq)_(2)(R-mapy)](PF_(6))(pq is 2-phenylquinoline and mapy is 2-(1-aminoethyl)pyridine)diastereomer is dehydrogenatively oxidized into imine complexɅ-[Ir(pq)_(2)(mapy-2H)](PF_(6))at room temperature,while theɅ-[Ir(pq)_(2)(S-mapy)](PF_(6))diastereomer occurs interligand C—N cross-coupling reaction at 60℃,affording a new tetradentate complexɅ-[Ir(pq)(S-pqpe)](PF_(6))(pqpe is 2-phenyl-N-(1-pyridin-2-yl)ethyl-quinolin-8-amine).The identical cases are also observed in diamine complexesɅ-[Ir(pq)_(2)(R,R-chda)](PF_(6))(chda is 1,2-diaminocyclohexane),Ʌ-[Ir(pq)_(2)(R,S-chda)](PF_(6)),andɅ-[Ir(pq)_(2)(S,S-chda)](PF_(6)),where the R configuration ligand is dehydrogenatively oxidized into imine,while the S configuration is retentive and the bound nitrogen atom is coupling to the C8 of pq ligand,affordingɅ-[Ir(pq)_(2)(chdi)](PF_(6))(chdi is 1,2-diiminocyclohexane),Ʌ-[Ir(pq)(S-pqchim)](PF_(6))(pqchim is N-(2-iminocyclohexyl)-2-phenyl-quinolin-8-amine),andɅ-[Ir(S,S-pqchda)](PF_(6))(pqchda is N',N”-bis(2-phenylquinolin-8-yl)cyclohexane-1,2-diamine),*** provide a new and useful protocol for the synthesis of multidentate ligands in situ via the postcoordinated interligand-coupling strategy under mild conditions.

关键词： Ir(III)complexes Interligand-Coupling Reaction/n-s/fu Photochemistry Diastereoselectivity

A solvent-free process enabling ZnO/porous carbon with enhanced microwave absorption

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Journal of Materials Science & Technology 2023年第18期149卷 255-264页

作者： Qi Chen xing Liu Tingting Wang Xiaogang su Meng Liu Somboon Chaemchuen Francis Verpoort State Key Laboratory of Advanced Technology for Materials Synthesis and Processing Wuhan University of TechnologyWuhan 430070China School of Materials Science and Engineering Wuhan University of TechnologyWuhan 430070China School of Mathematical&Physical Sciences Wuhan Textile UniversityWuhan 430200China National Research Tomsk Polytechnic University Lenin Avenue 30634050 TomskRussian Federation School of Materials Science and Engineering North University of ChinaTaiyuan 030051China

Exploring a simple,rapid,solvent-free synthetic method for mass production of cheap,broadband mi-crowave absorbers remains the main ***,a mild solvent-free procedure is reported to syn-thesize zinc oxide nanoparticles(ZnO NPs)embedded in porous carbon derived from mixing sucrose and zinc nitrate *** characteristic morphology and the ZnO NPs distribution in these compos-ites were tuned using the different raw materials *** mesoporous structure of porous car-bon benefits the compositional advantages between carbon foam and ZnO *** optimal synthesized ZnO/C-2 carbon material demonstrates the strongest absorption of-41.7 dB with a frequency of 14.5 gHz at a thin thickness of 2 mm,and its widest effective absorption is close to 6 gHz(12.2-17.8 gHz).This work produces a feasible route for the sensible design of other effective microwave absorbers for large-scale production.

关键词： Solvent-free method Porous carbon Dielectric materials Interfacial polarization Microwave broadband absorption

Defects and doping engineering towards high performance lead-free or lead-less perovskite solar cells

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Journal of Energy Chemistry 2022年第5期31卷 420-438页

作者： Wenying Cao Zhaosheng Hu Zhenhua Lin xing guo Jie su Jingjing Chang Yue Hao State Key Discipline Laboratory of Wide Band gap Semiconductor Technology School of MicroelectronicsXidian UniversityXi’an 710071ShaanxiChina Advanced Interdisciplinary Research Center for Flexible Electronics Xidian UniversityXi’an 710071ShaanxiChina

Up to now, perovskite solar cells(PSCs) have reached a certified 25.5% efficiency. As a promising photo-electric material, the metal halide perovskite possesses many outstanding properties such as tunable bandgap, long diffusion length, high absorption coefficient and carrier mobility. In spite of these remarkable properties, defects are inevitable during the solution processing. Therefore, many efforts have been made to reduce defects in perovskite films and thus improve the performance of devices. Among them,substitution or doping engineering is one of the most studied methods. Meanwhile, due to the poor stability of the organic-inorganic hybrid perovskite and the toxicity of Pb-based perovskite materials, all inorganic perovskite and lead-less or lead-free perovskite have emerged as promising materials. Here,we focus on the defect engineering especially substitutions on different sites in an ABX_(3) structure. The particular attention is devoted towards lead-less or lead-free perovskites, and we discuss several common elements or groups used to partially replace Pb^(2+). It is noted that proper elemental doping at different sites is an important guarantee for obtaining high-performance lead-less or lead-free PSCs.

关键词： Perovskite Defects Doping engineering Lead-free Lead-less Solar cells

Synergistic effects of Mg-substitution and particle size of chicken eggshells on hydrothermal synthesis of biphasic calcium phosphate nanocrystals

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Journal of Materials Science & Technology 2020年第1期36卷 27-36页

作者： Wei Cui Qibin Song Huhu su Zhiqing Yang Rui Yang Na Li xing Zhang Institute of Metal Research Chinese Academy of SciencesShenyang 110016China School of Materials Science and Engineering University of Science and Technology of ChinaHefei 230026China Department of Plastic surgery Shengjing Hospital of China Medical UniversityShenyang 110004China

Magnesium(Mg^2+))ion plays important roles in biomineralization of bone,teeth and calcium carbonate ***,chicken eggshells mainly comprising of Mg-calcite nanocrystals(Mg/(Mg+Ca)2.0 mol.%)were used to fabricate biphasic calcium phosphate(BCP),a mixture of hydroxyapatite(HA)and p-tricalcium phosphate(p-TCP)nanocrystals,through hydrothermal reactions at 200℃for 24 *** results indicated thatβ-TCP nanocrystals formed through the ion-exchange reactions of Mg-calcite,while HA nanocrystals were mainly produced by dissolution-reprecipitation reactions on the surfaces of eggshell samples in the hydrothermal *** substitution in calcite resulted in formation ofβ-TCP nanocrystals instead of HA crystals through ion-exchange *** samples with different compositions(28.6-77.8 wt.%β-TCP)were produced by controlling particle sizes of eggshells for hydrothermal *** larger particles lead to the larger proportion ofβ-TCP in the BCP ***,Mg substitution and particle size had synergetic effects on the hydrothermal synthesis of BCP using chicken eggshells through balance of ion-exchange and dissolution-reprecipitation *** culture results showed that the BCP products were non-cytotoxic to MC3 T3-E1 cells,which may be used for bone substitute materials in future.

关键词： Hydrothermal reactions Ion-exchange Dissolution-reprecipitation Nanocrystals Biphasic calcium phosphate Bone substitute materials

Identification of SSR Marker Linked to a Major Dwarfing gene in Common Wheat

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Journal of Integrative Agriculture 2013年第5期12卷 749-755页

作者： MENg Ya-ning KANg su-hua LAN su-que LI xing-pu ZHANg Ye-lun BAI Feng Institute of Cereal and Oil Crops Hebei Academy of Agriculture and Forestry Sciences Hebei Research Station of Crop gene Resource & germplasm Enhancement Ministry of Agriculture/Key Laboratory of Genetics and Breeding of Hebei Province College of Life Science Hebei Normal University

A segregating population with 410 F2 individuals from the cross MERCIA （Rht-Bla）×Dwarf 123 was made to identify a new major dwarfing gene carrying by novel wheat germplasm Dwarf 123. Combination of bulk segerant analysis method was used. A total of 145 SSR markers were tested for polymorphisms among parental lines and DNA bulks of F2 population. Out of 145 primer pairs only three markers revealed corresponding polymorphism among parental lines and F2 DNA bulks. The marker Barc20 was close to the dwarfing gene with a genetic distance of 1.8 cM, and markers gwm513 and gwm495 were linked to the gene with genetic distance of 6.7 and 13 cM, respectively. Linkage analysis mapped the dwarfing gene to the long arm of chromosome 4B with the order of Barc20-dwarfing gene-gwm513-gwm495. The Comparision between the new gene and the known Rht-B1 alleles showed that dwarfing gene Rht-Ai123 was different from the others. The identification of the new dwarfing gene and its linked markers will greatly facilitate its utilization in wheat high yield breeding for reducing plant height.

关键词： chromosome dwarfing gene genetic distance linkage analysis molecular markers polymorphism Triticumaestivum L.

Single and joint effects of pesticides and mercury on soil urease

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Journal of Environmental Sciences 2007年第2期19卷 210-216页

作者： YANg Chun-lu suN Tie-hang HE Wen-xiang ZHOU Qi-xing CHEN su Key Laboratory of Environmental Engineering Shenyang University Shenyang 110044 China Key Laboratory of Terrestrial Ecological Process Institute of Applied Ecology Chinese Academy of Sciences Shenyang 110016 China

The influence of two pesticides including chlorimuron-ethyl and furadan and mercury （Hg） on urease activity in 4 soils （meadow burozem and phaeozem） was investigated. The soils were exposed to various concentrations of the two pesticides and Hg individually and simultaneously. Results showed that there was a close relationship between urease activity and organic matter content in soil. Chlorimuron-ethyl and furadan could both activate urease in the 4 soils. The maximum increment of urease activity by chlorimuronethyl was up to 14%-18%. There was almost an equal increase （up to 13%-21%） in the urease activity by furadan. On the contrary, Hg markedly inhibited soil urease activity. A logarithmic equation was used to describe the relationship （P〈0.05） between the concentration of Hg and the activity of soil urease in the 4 tested soils. Semi-effect dose （ED50） values by the stress of Hg based on the inhibition of soil urease in the 4 soils were 88, 5.5, 24 and 20 mg/kg, respectively, according to the calculation of the corresponding equations. The interactive effect of chlorimuron-ethyl or furadan with metal Hg on soil urease was mainly synergic at the highest tested concentrations.

关键词： chlorimuron-ethyl furadan mercury soil urease combined pollution

T-IP: A Self-Trustworthy and Secure Internet Protocol

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China Communications 2018年第2期15卷 1-14页

作者： Xiaofeng Wang Huan Zhou Jinshu su Baosheng Wang Qianqian xing Pengkun Li School of Computer National University of Defense Technology

IPsec has become an important supplement of IP to provide security protection. However, the heavyweight IPsec has a high transmission overhead and latency, and it cannot provide the address accountability. We propose the self-trustworthy and secure Internet protocol(T-IP) for authenticated and encrypted network layer communications. T-IP has the following advantages:(1) Self-Trustworthy IP address.(2) Low connection latency and transmission overhead.(3) Reserving the important merit of IP to be stateless.(4) Compatible with the existing TCP/IP architecture. We theoretically prove the security of our shared secret key in T-IP and the resistance to the known session key attack of our security-enhanced shared secret key calculation. Moreover, we analyse the possibility of the application of T-IP, including its resilience against the man-in-the-middle attack and Do S attack. The evaluation shows that T-IP has a much lower transmission overhead and connection latency compared with IPsec.

关键词： identity-based cryptography self-trustworthy lightweight low latency in-cremental deployment

Estimation of Elastic Parameters Using Two-Term Fatti Elastic Impedance Inversion

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Journal of Earth Science 2015年第4期26卷 556-566页

作者： Jin Zhang Huaishan Liu Siyou Tong Lei xing Xiangpeng Chen Chaogua.g su College of Marine geoscience Ocean Univesity of China Shengli geophysical Research Institute of SINOPEC

Elastic impedance （EI） inversion has been widely used in industry to estimate kinds of elastic parameters to distinguish lithology or even fluid. However, it is found that conventional three-term elastic impedance formula is unstable even with slight random noise in seismic data, due to the m-conditioned co- efficient matrix of elastic parameters. We presented two-term Fatti elastic impedance inversion method, which is more robust and accurate than conventional three-term elastic impedance inversion. In our method, density is ignored to increase the robustness of inversion matrix. Besides, P-impedance and S-impedance, which are less sensitive to random noise, are inverted instead of Vp and Vs in conventional three-term elastic impedance. To make the inversion more stable, we defined the range of K value as a con- straint. Synthetic tests claim that this method can obtain promising results with low SNR （signal noise ratio） seismic data. With the application of the method in a 2D line data, we achieved λp, μp and Vp/Vs sections, which matched the drilled well perfectly, indicating the potential of the method in reservoir prediction.

关键词： two-term Fatti El random noise K value.