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

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

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Effect of austenitizing condition on mechanical properties,microstructure and precipitation behavior of AISI H13 steel

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Journal of Iron and Steel Research International 2024年第1期31卷 143-156页

作者： An-gang Ning Yang Liu Rui gao Stephen Yue ming-bo Wang Han-jie Guo College of Materials Science and Engineering Taiyuan University of TechnologyTaiyuan030024ShanxiChina Department of Mining and Materials Engineering McGill UniversityMontrealQCH3A 0C5Canada ASSAB Tooling Technology(Chongqing)Co. Ltd.Chongqing401120China School of Metallurgical and Ecological Engineering University of Science and Technology BeijingBeijing100083China

The effects of austenitizing temperature(1223,1303,and 1373 K)and holding time(1-1500 s)on the microstructure,mechanical properties,and precipitation behavior of the H13 hot work die steel were *** results indicate a softening phenomenon when H13 steel is austenitized at 1303 K beyond 900 s and 1373 K beyond 600 s,*** the sample held for 1200 s,the tensile strength is found capable of reaching up to 2.2 GPa when quenched from a temperature above 1303 ***,prior-austenite grain size increases with the increase in austenitizing *** kinetic behavior of the precipitates(mainly MC-type carbides)in H13 steel could be elaborated through the principles set forth by the Arrhenius and Avrami ***,the comprehensive strengthening of the H13 steel was discussed in *** results show that the activation energy of the transformed fraction of carbides is higher than that of the diffusion process for common alloying elements(Cr,V,Mo,and Ni)found in the *** suggests that it would be difficult for precipitates to dissolve into the matrix when H13 steel is austenitized at high *** the increasing austenitizing temperature,the precipitation fraction decreases,and the dislocation density *** dislocation strengthening is regarded as the dominant strengthening contributed to yield strength in as-quenched H13 steel.

关键词： H13 steel Austenitizing Mechanical property Precipitation behavior Comprehensive strengthening

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Bioinspired polysaccharide-based nanocomposite membranes with robust wet mechanical properties for guided bone regeneration

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National Science Review 2024年第3期11卷 215-226页

作者： jian-Hong Xiao Zhen-Bang Zhang JiaHao Li Si-ming Chen Huai-Ling gao YinXiu Liao Lu Chen ZiShuo Wang YiFan Lu YuanZhen Hou HengAn Wu DuoHong Zou Shu-Hong Yu Department of Chemistry New Cornerstone Science Laboratory Institute of Biomimetic Materials&Chemistry Anhui Engineering Laboratory of Biomimetic MaterialsDivision of Nanomaterials&Chemistry Hefei National Research Center for Physical Sciences at the Microscale University of Science and Technology of China Department of Dental Implant Center Stomatologic Hospital and College Key Laboratory of Oral Diseases Research of Anhui Province Anhui Medical University CAS Key Laboratory of Mechanical Behavior and Design of Materials Department of Modern Mechanics CAS Center for Excellence in Complex System Mechanics University of Science and Technology of China Department of Oral Surgery College of Stomatology National Clinical Research Center for Oral DiseasesShanghai Key Laboratory of Stomatology Shanghai Research Institute of Stomatology Shanghai Ninth People's Hospital Affiliated to Shanghai Jiao Tong University School of Medicine Institute of Innovative Materials(I2M) Department of Chemistry Department of Materials Science and Engineering Southern University of Science and Technology

Polysaccharide-based membranes with excellent mechanical properties are highly desired. However, severe mechanical deterioration under wet conditions limits their biomedical applications. Here, inspired by the structural heterogeneity of strong yet hydrated biological materials, we propose a strategy based on heterogeneous crosslink-and-hydration（HCH） of a molecule/nano dual-scale network to fabricate polysaccharide-based nanocomposites with robust wet mechanical properties. The heterogeneity lies in that the crosslink-and-hydration occurs in the molecule-network while the stress-bearing nanofiber-network remains unaffected. As one demonstration, a membrane assembled by bacterial cellulose nanofiber-network and Ca2+-crosslinked and hydrated sodium alginate molecule-network is designed. Studies show that the crosslinked-and-hydrated molecule-network restricts water invasion and boosts stress transfer of the nanofiber-network by serving as interfibrous bridge. Overall, the molecule-network makes the membrane hydrated and flexible; the nanofiber-network as stress-bearing component provides strength and *** HCH dual-scale network featuring a cooperative effect stimulates the design of advanced biomaterials applied under wet conditions such as guided bone regeneration membranes.

关键词： bioinspiration heterogeneous crosslink-and-hydration dual-scale network nanocomposite membrane wet mechanical properties guided bone regeneration

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Ultrahigh spatiotemporal resolution beam signal reconstruction with bunch phase compensation

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Nuclear Science and Techniques 2024年第5期35卷 99-108页

作者： You-ming Deng Yong-Bin Leng Xing-Yi Xu jian Chen Yi-Mei Zhou Shanghai Institute of Applied Physics Chinese Academy of SciencesShanghai 201800China University of the Chinese Academy of Sciences Beijing 100049China Shanghai Synchrotron Radiation Facility Chinese Academy of SciencesShanghai 201204China University of Science and Technology of China Hefei 230026China Shanghai Advanced Research Institute Chinese Academy of SciencesShanghai 201204China

Various electromagnetic signals are excited by the beam in the acceleration and beam-diagnostic elements of a particle *** is important to obtain time-domain waveforms of these signals with high temporal resolution for research,such as the study of beam–cavity interactions and bunch-by-bunch parameter ***,a signal reconstruction algorithm with ultrahigh spatiotemporal resolution and bunch phase compensation based on equivalent sampling is proposed in this *** with traditional equivalent sampling,the use of phase compensation and setting the bunch signal zero-crossing point as the time reference can construct a more accurate reconstructed *** basic principles of the method,simulation,and experimental comparison are also *** on the beam test platform of the Shanghai Synchrotron Radiation Facility(SSRF)and the method of experimental verification,the factors that affect the reconstructed signal quality are analyzed and discussed,including the depth of the sampled data,quantization noise of analog-to-digital converter,beam transverse oscillation,and longitudinal *** results of the beam experiments show that under the user operation conditions of the SSRF,a beam excitation signal with an amplitude uncertainty of 2%can be reconstructed.

关键词： Turn-by-turn bunch phase compensation technique Equivalent sampling Signal reconstruction algorithm Ultrahigh spatiotemporal resolution SSRF

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Stress corrosion cracking behavior of buried oil and gas pipeline steel under the coexistence of magnetic field and sulfate-reducing bacteria

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Petroleum Science 2024年第2期21卷 1320-1332页

作者： jian-Yu He Fei Xie Dan Wang Guang-Xin Liu ming Wu Yue Qin College of Petroleum Engineering Liaoning Petrochemical UniversityFushun113001LiaoningChina Key Laboratory of Oil and Gas Storage and Transportation Technology in Liaoning Province Fushun113001LiaoningChina State Key Joint Laboratory of Environment Simulation and Pollution Control School of EnvironmentTsinghua UniversityBeijing100084China PipeChina West East Gas Pipeline Company Shanghai200120China

Magnetic field and microorganisms are important factors influencing the stress corrosion cracking(SCC)of buried oil and gas pipelines. Once SCC occurs in buried pipelines, it will cause serious hazards to the soil environment. The SCC behavior of X80 pipeline steel under the magnetic field and sulfate-reducing bacteria(SRB) environment was investigated by immersion tests, electrochemical tests, and slow strain rate tensile(SSRT) tests. The results showed that the corrosion and SCC sensitivity of X80 steel decreased with increasing the magnetic field strength in the sterile environment. The SCC sensitivity was higher in the biotic environment inoculated with SRB, but it also decreased with increasing magnetic field strength, which was due to the magnetic field reduces microbial activity and promotes the formation of dense film layer. This work provided theoretical guidance on the prevention of SCC in pipeline steel under magnetic field and SRB coexistence.

关键词： Magnetic field Sulfate-reducing bacteria Film layer Stress corrosion cracking Oil and gas pipelines

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Gut microbiota in gastrointestinal diseases:Insights and therapeutic strategies

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World Journal of Gastroenterology 2024年第39期30卷 4329-4332页

作者： Lu jiang jian-gao Fan Department of Pediatric Gastroenterology and Nutrition Xinhua Hospital Affiliated to Shanghai Jiao Tong University School of MedicineShanghai 200092China Department of Gastroenterology Xinhua Hospital Affiliated to Shanghai Jiao Tong University School of MedicineShanghai 200092China

Considering the bidirectional crosstalk along the gut-liver axis,gut-derived microorganisms and metabolites can be released into the liver,potentially leading to liver *** this editorial,we comment on several studies published in the recent issue of the World Journal of *** focus specifically on the roles of gut microbiota in selected gastrointestinal(GI)diseases that are prevalent,such as inflammatory bowel disease,metabolic dysfunction-associated steatotic liver disease,and hepatitis B virus-related portal *** the past few decades,findings from both preclinical and clinical studies have indicated an association between compositional and metabolic changes in the gut microbiota and the pathogenesis of the aforementioned GI ***,studies elucidating the mechanisms underlying the host-microbiota interactions remain *** purpose of this editorial is to summarize current findings and provide insights regarding the context-specific roles of gut ***,the discovery of microbiome-based biomarkers may facilitate disease diagnosis and the development of personalized medicine.

关键词： Gut microbiota Inflammatory bowel disease Metabolic dysfunction-associated steatotic liver disease Hepatitis B virus Portal hypertension

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一阶线性时超微分不等式

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Journal of Mathematical Research and Exposition 2006年第1期26卷 121-128页

作者：高剑明高国柱东华大学应用数学系上海200051

研究了一阶线性时超微分不等式x'(t)-p(t)x(t+r)≥0正解的不存在性,其中p(t)∈C([t_0,∞),[0,∞)),T∈R^+。

关键词：时超微分不等式最终正解

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Programmable repulsive potential for tight-binding from Chen-Möbius inversion theorem

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Science China(Physics,Mechanics & Astronomy) 2024年第1期67卷 71-83页

作者： jian-gao Li Jin-Kun Tang Hong-Quan Song Gotthard Seifert Dong-Bo Zhang College of Nuclear Science and Technology Beijing Normal UniversityBeijing 100875China Department of Physics Beijing Normal UniversityBeijing 100875China College of Physics and Telecommunication Engineering Zhoukou Normal UniversityZhoukou 466001China Theoretische Chemie Technische Universität DresdenDresden D-01062Germany

An accurate total energy calculation is essential in materials *** date,many tight-binding(TB)approaches based on parameterized hopping can produce electronic structures comparable to those obtained using first-principles ***,TB approaches still have limited applicability for determining material properties derived from the total *** is,the predictive power of the TB total energy is impaired by an inaccurate evaluation of the repulsive *** complexity associated with the parametrization of TB repulsive potentials is the weak link in this *** this study,we propose a new method for obtaining the pairwise TB repulsive potential for crystalline materials by employing the Chen-Möbius inversion *** show that the TB-based phonon dispersions,calculated using the resulting repulsive potential,compare well with those obtained by first-principles calculations for various systems,including covalent and ionic bulk materials and twodimensional *** present approach only requires the first-principles total energy and TB electronic band energy as input and does not involve any *** striking feature enables us to generate repulsive potentials programmatically.

关键词： tight binding first-principles calculation total energy repulsive potential phonon dispersion

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Sequential enantioselective Ugi-4CR/post-Ugi transformation strategy:a precise construction of structurally diverse azaspiro polycyclic scaffolds

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Science China Chemistry 2024年第2期67卷 576-586页

作者： Xiao-Bao Wu Jun-Xiu Shi Yi-ming Ou Hua-Jie jiang Yi-Jun Fang Qi-ming Wang Quan gao Jie Yu Department of Applied Chemistry Anhui Province Engineering Laboratory for Green Pesticide Development and ApplicationAnhui Province Key Laboratory of Crop Integrated Pest ManagementAnhui Agricultural UniversityHefei230036China

A privileged strategy has been developed for the precise construction of enantioenriched azaspiro polycyclic *** diverse azaspiro polycycles bearing multiple contiguous stereocenters are obtained with excellent results(up to 99:1 e.r.,>95:5 d.r.) via sequential enantioselective four-component Ugi reactions/post-Ugi transformations with substrates containing prerequisite functional groups in the presence of anionic stereogenic-at-cobalt(Ⅲ) complexes.

关键词： asymmetric catalysis post-Ugi transformation anionic stereogenic-at-cobalt(Ⅲ)complex azaspiro polycyclic scaffold one-pot synthesis

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Gray Images of Constacyclic Codes over a Non-chain Extension of Z_(4)

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Algebra Colloquium 2024年第1期31卷 11-24页

作者： Cruz Mohan Karthick Gowdhaman Durairajan Chinnapillai jian gao Department of Mathematics Bishop Heber CollegeTrichyTamil NaduIndia Presidency University BengaluruKarnatakaIndia School of Mathematics and Statistics Shandong University of Technology ZiboShandong 255000China

Let Z_(4) be the ring of integers modulo *** study the Λ-constacyclic and(θ,Λ)-cyclic codes over the non-chain ring R=Z_(4)[u,v]/for a unit Λ=1+2u+2v in *** define several Gray maps and find that the respective Gray images of a quasi-cyclic code over Z_(4) are cyclic,quasi-cyclic or permutation equivalent to this *** an odd positive integer n,we determine the generator polynomials of cyclic and Λ-constacyclic codes of length n over ***,we prove that a(θ,Λ)-cyclic code of length n is a Λ-constacyclic code if n is odd,and a Λ-quasi-twisted code if n is even.A few examples are also incorporated,in which two parameters are new and one is best known to date.

关键词： non-chain ring linear code Ot-cyclic code Gray map (θ_(t),Λ)-cyclic code

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