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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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Illuminating spin-crossover octanuclear metal-organic cages

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Science China Chemistry 2024年第4期67卷 1208-1215页

作者： Zhi-Kun Liu Alyona A.Starikova yu-Xia Li Ke Sun Meng yu zi-Shuo Yao Jun Tao Key Laboratory of Cluster Science of Ministry of Education School of Chemistry and Chemical EngineeringLiangxiang CampusBeijing Institute of TechnologyBeijing 102488China Institute of Physical and Organic Chemistry Southern Federal UniversityRostov-on-Don 344090Russia

Spin-crossover(SCO)materials that reversibly switch between high-and low-spin states have potential for the storage of spin state-relative information,and have gained much attention incorporating secondary physical properties,such as fluorescence and magneto-optical *** this study,we synthesized three octanuclear metal-organic cages(MOCs)using tetraphenylethylene-based luminophores,aldehydes,and Fe^(Ⅱ)salts,by subcomponent self-assembly approach,namely[Fe1]-[Fe3].By controlling the ligand-field strength and guest encapsulation,we finely tuned their SCO *** them,MOC[Fe2]displayed nearly complete SCO behavior in the solid state,which is rare for high-nuclearity *** also demonstrated the coupling of SCO with fluorescence emission in these MOCs by using isostructural Zn^(Ⅱ)complexes([Zn1]-[Zn3])as control experiments,for the first *** calculations revealed the energy-transfer mechanism between fluorophores and SCOactive centers,which emphasizes the significant contribution of d-d transitions in the interplay between the occurrence of SCO and fluorescence emission.

关键词： metal-organic cages spin crossover fluorescence switching materials DFT calculation

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Knockdown of neuronal DAF-15/Raptor promotes healthy aging in ***

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Journal of Genetics and Genomics 2024年第5期51卷 507-516页

作者： Xiao Zang Qi Wang Hanxin zhang Yiyan zhang zi Wang zixing Wu Di Chen Model Animal Research Center of Medical School Nanjing UniversityNanjingJiangsu 210061China Zhejiang University-University of Edinburgh Institute School of MedicineZhejiang UniversityHainingZhejiang 314400China Department of Colorectal Surgery The Second Affiliated HospitalZhejiang University School of MedicineHangzhouZhejiang 310058China

The highly conserved target of rapamycin(TOR)pathway plays an important role in aging across *** studies have established that inhibition of the TOR complex 1(TORC1)significantly extends lifespan in Caenorhabditis ***,it has not been clear whether TORC1 perturbation affects aging in a spatiotemporal ***,we apply the auxin-inducible degradation tool to knock down endogenous DAF-15,the *** ortholog of regulatory associated protein of TOR(Raptor),to characterize its roles in *** or tissue-specific inhibition of DAF-15 during development results in various growth defects,whereas neuron-specific knockdown of DAF-15 during adulthood significantly extends lifespan and *** neuronal DAF-15 deficiency-induced longevity requires the intestinal activities of DAF-16/FOXO and PHA-4/FOXA transcription factors,as well as the AAK-2/AMP-activated protein kinaseαcatalytic *** profiling reveals that the neuronal DAF-15 knockdown promotes the expression of genes involved in *** findings define the tissue-specific roles of TORC1 in healthy aging and highlight the importance of neuronal modulation of aging.

关键词： Aging targetof rapamycin DAF-15 DAF-16 C.elegans

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Combined effects of ultrasonic vibration and FeCoNiCrCu coating on interfacial microstructure and mechanical properties of Al/Mg bimetal by compound casting

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China Foundry 2024年第5期21卷 588-598页

作者： yuan-cai Xu Wen-ming Jiang Qing-qing Li Ling-hui yu Xiao-peng yu zi-tian Fan State Key Laboratory of Materials Processing and Die&Mould Technology School of Materials Science and EngineeringHuazhong University of Science and TechnologyWuhan 430074China

In this work,a new treatment method combining ultrasonic vibration with FeCoNiCrCu high entropy alloy(HEA)coating was used to prepared Al/Mg bimetal through the lost foam compound *** effects of composite treatment involving ultrasonic vibration and HEA coating on interfacial microstructure and mechanical properties of Al/Mg bimetal were *** demonstrate that the interface thickness of the Al/Mg bimetal with composite treatment significantly decreases to only 26.99%of the thickness observed in the untreated Al/Mg *** HEA coating hinders the diffusion between Al and Mg,resulting the significant reduction in Al/Mg intermetallic compounds in the *** Al/Mg bimetal interface with composite treatment is composed of Al_(3)Mg_(2)and Mg_(2)Si/AlxFeCoNiCrCu+FeCoNiCrCu/δ-Mg+Al_(12)Mg_(17)eutectic *** interface resulting from the composite treatment has a lower hardness than that without *** acoustic cavitation and acoustic streaming effects generated by ultrasonic vibration promote the diffusion of Al elements within the HEA coating,resulting in a significant improvement in the metallurgical bonding quality on the Mg *** fracture position shifts from the Mg side of the Al/Mg bimetal only with HEA coating to the Al side with composite *** shear strength of the Al/Mg bimetal increases from 32.16 MPa without treatment to 63.44 MPa with ultrasonic vibration and HEA coating,increasing by 97.26%.

关键词： ultrasonic vibration FeCoNiCrCu HEA coating Al/Mg bimetal interfacial microstructure shear strength compound casting

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Supramolecular polymer network constructed by a functionalized polyimidazolium salt derived from metal-carbene template approach

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Science China Chemistry 2024年第4期67卷 1224-1228页

作者： Ming-Ming Gan zi-En zhang Yi-Fan zhang Heng zhang Li-Ying Sun Ying-Feng Han Key Laboratory of Synthetic and Natural Functional Molecule Chemistry of the Ministry of Education Xi’an Key Laboratory of Functional Supramolecular Structure and MaterialsCollege of Chemistry and Materials ScienceNorthwest UniversityXi’an 710127China

In this study,we present a supramolecular templating approach for constructing polyimidazolium salt containing crown ether and cyclobutane *** strategy involves the formation of metal-carbene templates,photochemical cycloaddition,and subsequent demetallation of metal *** by the host-guest chemistry between crown ether units and ammonium salts,we successfully fabricated a supramolecular polymer SPN1,which features imidazolium receptors and cyclobutane *** obtained SPN1 demonstrates outstanding reversible stimulus-response,antibacterial behavior and conductivity.

关键词： metal-carbene template crown ether polyimidazolium salt host-guest chemistry

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Sequence structure controllable polymerization-induced self-assembly

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Science China Chemistry 2024年第1期67卷 390-397页

作者： zi-Xuan Chang Ren-Man Zhu Chun-Yan Hong Wen-Jian zhang Department of Polymer Science and Engineering University of Science and Technology of ChinaHefei 230026China Institute of Physical Science and Information Technology Anhui UniversityHefei 230601China Key Laboratory of Environment-Friendly Polymeric Materials of Anhui Province Anhui UniversityHefei 230601China

Polymerization-induced self-assembly(PISA)combines synthesis and self-assembly of artificial polymers in one-pot,which brings us one step closer to emulating ***,the reported PISA formulations primarily focus on developing nano-objects with new chemical compositions and rarely on structural regulation of polymers with specific ***,sequence structure controllable polymerization-induced self-assembly(SCPISA)is reported by using 7-(2-methacryloyloxyethoxy)-4-methylcoumarin(CMA)as a *** the copolymerization of 2-hydroxyethyl methacrylate(HEMA)and CMA,controlled incorporation of CMA units into the polymer chains can be realized by programmable light/heat ***-based P(HEMA-co-CMA)copolymers with the same composition but different sequence structures generate a range of ***,the morphologies of the resultant nano-objects can also be controlled by regulating the feed molar ratio of CMA and HEMA,which is similar to the conventional PISA,but the synthesis procedure is obviously simplified in *** versatility of the methodology is further demonstrated by the fabrication of different functional nano-objects with sequence structure-dependent morphologies in SCPISA systems with different functional monomers.

关键词： polymerization-induced self-assembly sequence-controlled polymers PET-RAFT polymerization

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Photocaged activity-based probes for improved monitoring of protein S-sulfenylation in living cells

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Chinese Chemical Letters 2024年第2期35卷 451-454页

作者： Jiahao zhang Haiyue Peng zi'an Chen Guorui Li Jing Huang State Key Laboratory of Chemo/Biosensing and Chemometrics Hunan Provincial Key Laboratory of Animal Models and Molecular MedicineSchool of Biomedical SciencesHunan UniversityChangsha 410082China

Protein S-sulfenylation(protein sulfenic acid),as one of the most significant oxidative post-translational modifications(OxiPTMs),plays a vital role in regulating protein function.A variety of activity-based probes have been developed to profile sulfenic acid in living ***,due to the transient presence and low content of sulfenic acid in living cell,high doses of probes are needed to achieve efficient *** importantly,current probes have no temporal control over sulfenic acid *** overcome these limitations,two caged cysteine sulfenic acid probes DYn-2-ONB and DYn-2-Cou with either an o-nitrobenzyl or coumarin protecting group were developed in this *** probes can be efficiently uncaged via irradiation to produce the active C-nucleophile probe *** assay in living cells demonstrated DYn-2-ONB exhibited better labeling capacity compared with DYn-2,providing it as a powerful tool for improved monitoring of protein S-sulfenylation in living cells.

关键词： Cysteine Sulfenic acid Activity-based probe Photocage Light activation Protein S-sulfenylation

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Effect of lanthanum on inclusions in non-oriented electrical steel slabs

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Journal of Iron and Steel Research International 2024年第7期31卷 1680-1691页

作者： Qiang Ren Zhi-yuan Hu yun-xia Liu Wei-cheng zhang zi-qi Gao Li-feng zhang School of Mechanical Engineering Yanshan UniversityQinhuangdao 066004HebeiChina School of Metallurgical and Ecological Engineering University of Science and Technology BeijingBeijing 100083China Research and Development Department Shougang Zhixin Qian'an Electromagnetic Material Co.Ltd.Qian'an 064400HebeiChina School of Mechanical and Materials Engineering North China University of TechnologyBeijing 100144China

The effect of lanthanum on the characteristics of inclusions in the slab of non-oriented electrical steels was investigated through industrial trials and thermodynamic *** number,size,and chemical composition of inclusions in the surface,one-quarter of thickness and the center of slabs with and without lanthanum addition were statistically analyzed using an automatic inclusion analysis *** the lanthanum-free slab,inclusions were predominately ***_(2)O_(3),MgO,and AlN as well as a small number of Al_(2)O_(3)-MgO-CaO and *** number densities of oxide inclusions and AlN decreased from the surface to the center of the slab,which was ascribed to the difference in cooling intensity during the continuous *** the steel with lanthanum addition,inclusions were modified into LaAlO_(3) and La_(2)O_(2)S and gradually transformed into dual-phase MgO-La_(2)S3 with an increasing distance from the slab surface due to the reaction between the lanthanum-containing inclusion and the steel *** uneven distribution of oxide inclusions along the thickness of the slab was eliminated in the lanthanum-bearing slab because the dissolved oxygen was remarkably decreased by ***-bearing inclusions were more likely to agglomerate AlN by inducing the heterogeneous nucleation of AlN on their surface,while small-size ***_(2)O_(3) inclusions hardly showed a coarsening effect on the size of AlN.

关键词： Lanthanum-Inclusion Non-oriented electrical steel Aluminum nitride Heterogenous nucleation

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Inducing mitochondriopathy-like damages by transformable nucleopeptide nanoparticles for targeted therapy of bladder cancer

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National Science Review 2024年第4期11卷 216-227页

作者： Da-Yong Hou Ni-yuan zhang Lu Wang Mei-yu Lv Xiang-Peng Li Peng zhang yue-Ze Wang Lei Shen Xiu-Hai Wu Bo Fu Peng-yu Guo zi-Qi Wang Dong-Bing Cheng Hao Wang Wanhai Xu NHC and CAMS Key Laboratory of Molecular Probe and Targeted Theranostics Heilongjiang Key Laboratory of Scientific Research in Urology Harbin Medical University Department of Urology Harbin Medical University Cancer Hospital CAS Key Laboratory for Biomedical Effects of Nanomaterials and Nanosafety CAS Center for Excellence in NanoscienceNational Center for Nanoscience and Technology(NCNST) School of Chemistry Chemical Engineering & Life Science Hubei Key Laboratory of Nanomedicine for Neurodegenerative Diseases Wuhan University of Technology

Mitochondriopathy inspired adenosine triphosphate(ATP) depletions have been recognized as a powerful way for controlling tumor growth. Nevertheless, selective sequestration or exhaustion of ATP under complex biological environments remains a prodigious challenge. Harnessing the advantages of in vivo self-assembled nanomaterials, we designed an Intracellular ATP Sequestration(IAS) system to specifically construct nanofibrous nanostructures on the surface of tumor nuclei with exposed ATP binding sites,leading to highly efficient suppression of bladder cancer by induction of mitochondriopathy-like ***, the reported transformable nucleopeptide(NLS-FF-T) self-assembled into nuclear-targeted nanoparticles with ATP binding sites encapsulated inside under aqueous conditions. By interaction with KPNA2, the NLS-FF-T transformed into a nanofibrous-based ATP trapper on the surface of tumor nuclei,which prevented the production of intracellular energy. As a result, multiple bladder tumor cell lines(T24,EJ and RT-112) revealed that the half-maximal inhibitory concentration(IC50) of NLS-FF-T was reduced by approximately 4-fold when compared to NLS-T. Following intravenous administration, NLS-FF-T was found to be dose-dependently accumulated at the tumor site of T24 xenograft mice. More significantly, this IAS system exhibited an extremely antitumor efficacy according to the deterioration of T24 tumors and simultaneously prolonged the overall survival of T24 orthotopic xenograft mice. Together, our findings clearly demonstrated the therapeutic advantages of intracellular ATP sequestration-induced mitochondriopathy-like damages, which provides a potential treatment strategy for malignancies.

关键词： self-assembly nucleopeptide nanomaterial bladder cancer mitochondriopathy

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U-Pb zircon geochronology of basaltic pyroclastic rocks from the basement beneath the Xisha Islands in the northwestern South China Sea and its geological significance

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Acta Oceanologica Sinica 2024年第2期43卷 83-93页

作者： yu zhang Kefu yu Shiying Li Guangxi Laboratory on the Study of Coral Reefs in the South China Sea Guangxi UniversityNanning 530004China Coral Reef Research Center of China Guangxi UniversityNanning 530004China School of Marine Sciences Guangxi UniversityNanning 530004China Key Laboratory of Ocean and Marginal Sea Geology South China Sea Institute of OceanologyChinese Academy of ScienceGuangzhou 510301China

As one of the micro-blocks dispersed in the South China Sea(SCS), the basement of the Xisha Islands has rarely been drilled because of the thick overlying Cenozoic sediments, which has led to a confused understanding of the pre-Cenozoic basement of the Xisha Islands. Well CK-1, a kilometer-scale major scientific drill in the Xisha Islands in the northwestern SCS, penetrated thick reefal limestone(0–888.4 m) and the underlying basement rocks(888.4–901.4 m). In this study, we present the zircon U-Pb ages of basement basaltic pyroclastic rocks from Well CK-1 in the Xisha Islands of the northwestern SCS to investigate the basement nature of the Xisha microblock. The basement of Well CK-1 consists of basaltic pyroclastic rocks on the seamount. The zircon grains yielded apparent ages ranging from ca. 2 138.9 Ma to ca. 36 Ma. The old group of zircon grains from Well CK-1 was considered to be inherited zircons. Two Cenozoic zircons gave a weighted mean 206Pb/238U age of(36.3 ± 1.1) Ma,Mean Squared Weighted Deviations(MSWD) = 1.2, which may represent the maximum age of the volcano eruption. The Yanshanian inherited zircons(116.9–105.7 Ma and 146.1–130.2 Ma) from Well CK-1 are consistent with the zircons from Well XK-1, indicating that the basement of Chenhang Island may be similar to that of Well XK-1. We propose that the Xisha micro-block may have developed on a uniform Late Jurassic metamorphic crystalline basement, intruded by Cretaceous granitic magma.

关键词： South China Sea Xisha Islands basaltic pyroclastic rocks zircon

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