{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,9,5]],"date-time":"2026-09-05T15:27:34Z","timestamp":1788622054475,"version":"build-2803163510"},"reference-count":52,"publisher":"Wiley","issue":"48","license":[{"start":{"date-parts":[[2025,10,6]],"date-time":"2025-10-06T00:00:00Z","timestamp":1759708800000},"content-version":"vor","delay-in-days":0,"URL":"http:\/\/creativecommons.org\/licenses\/by\/4.0\/"},{"start":{"date-parts":[[2025,10,6]],"date-time":"2025-10-06T00:00:00Z","timestamp":1759708800000},"content-version":"tdm","delay-in-days":0,"URL":"http:\/\/doi.wiley.com\/10.1002\/tdm_license_1.1"}],"funder":[{"DOI":"10.13039\/501100012166","name":"National Key Research and Development Program of China","doi-asserted-by":"publisher","award":["2022YFA1504500"],"award-info":[{"award-number":["2022YFA1504500"]}],"id":[{"id":"10.13039\/501100012166","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100012166","name":"National Key Research and Development Program of China","doi-asserted-by":"publisher","award":["2023YFA1509102"],"award-info":[{"award-number":["2023YFA1509102"]}],"id":[{"id":"10.13039\/501100012166","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100001809","name":"National Natural Science Foundation of China","doi-asserted-by":"publisher","award":["22378131"],"award-info":[{"award-number":["22378131"]}],"id":[{"id":"10.13039\/501100001809","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100001809","name":"National Natural Science Foundation of China","doi-asserted-by":"publisher","award":["22478239"],"award-info":[{"award-number":["22478239"]}],"id":[{"id":"10.13039\/501100001809","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100001809","name":"National Natural Science Foundation of China","doi-asserted-by":"publisher","award":["22272185"],"award-info":[{"award-number":["22272185"]}],"id":[{"id":"10.13039\/501100001809","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100003399","name":"Science and Technology Commission of Shanghai Municipality","doi-asserted-by":"publisher","award":["19DZ2271100"],"award-info":[{"award-number":["19DZ2271100"]}],"id":[{"id":"10.13039\/501100003399","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":["advanced.onlinelibrary.wiley.com"],"crossmark-restriction":true},"short-container-title":["Advanced Science"],"published-print":{"date-parts":[[2025,12]]},"abstract":"<jats:title>Abstract<\/jats:title>\n                  <jats:p>Selective conversion of methane to carbon\u2010based compounds is promising but currently limited by issues related to scale. Unraveling the interconnected relationships between products selectivity and methane conversion plays a pivotal role in understanding of this complex process. In this work, a knowledge graph (KG) is constructed for methane conversion with the help of a robust large language model basing on the literature reported methane conversion over different catalysts under various conditions. This KG, structured around 11 entity types and 32 relationship types, allows to effectively analyze advancements in methane conversion \u2013 including identifying optimal catalytic processes, evaluating reaction conditions, and tracking development trends. A deep neural network analysis of the KG highlighted catalysts with metal active sites and multifunctional supports as particularly effective for methanol production under conditions suitable for industrial\u2010scale applications. These findings provide valuable insights for targeted catalyst development and industrial applications.<\/jats:p>","DOI":"10.1002\/advs.202514601","type":"journal-article","created":{"date-parts":[[2025,10,7]],"date-time":"2025-10-07T03:10:39Z","timestamp":1759806639000},"update-policy":"https:\/\/doi.org\/10.1002\/crossmark_policy","source":"Crossref","is-referenced-by-count":3,"title":["Knowledge Graph for Methane Selective Conversion: Revisiting and Predicting Product Selectivity and Methane Conversion"],"prefix":"10.1002","volume":"12","author":[{"given":"Boyu","family":"Xu","sequence":"first","affiliation":[{"name":"Department of Information and Computing Sciences Utrecht University Princetonplein 5 Utrecht 3584 CC The Netherlands"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Gaoyang","family":"Li","sequence":"additional","affiliation":[{"name":"Shanghai Key Laboratory of Materials Protection and Advanced Materials in Electric Power Shanghai University of Electric Power  Shanghai 200090 China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Bohan","family":"Wang","sequence":"additional","affiliation":[{"name":"School of Materials Science and Engineering and East China University of Science and Technology \u2013 Utrecht University Joint Research Center for Sustainable and Circular Chemistry and Chemical Engineering East China University of Science and Technology  Shanghai 200237 China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Jiawei","family":"Bian","sequence":"additional","affiliation":[{"name":"School of Chemical Engineering and East China University of Science and Technology \u2013 Utrecht University Joint Research Center for Sustainable and Circular Chemistry and Chemical Engineering East China University of Science and Technology  Shanghai 200237 China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-5643-6546","authenticated-orcid":false,"given":"Hui","family":"Pan","sequence":"additional","affiliation":[{"name":"Shanghai Key Laboratory of Materials Protection and Advanced Materials in Electric Power Shanghai University of Electric Power  Shanghai 200090 China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Yulin","family":"Min","sequence":"additional","affiliation":[{"name":"Shanghai Key Laboratory of Materials Protection and Advanced Materials in Electric Power Shanghai University of Electric Power  Shanghai 200090 China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-4762-7463","authenticated-orcid":false,"given":"Guodong","family":"Qi","sequence":"additional","affiliation":[{"name":"National Center for Magnetic Resonance in Wuhan State Key Laboratory of Magnetic Resonance Spectroscopy and Imaging Innovation Academy for Precision Measurement Science and Technology Chinese Academy of Sciences  Wuhan 430071 China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Jun","family":"Xu","sequence":"additional","affiliation":[{"name":"National Center for Magnetic Resonance in Wuhan State Key Laboratory of Magnetic Resonance Spectroscopy and Imaging Innovation Academy for Precision Measurement Science and Technology Chinese Academy of Sciences  Wuhan 430071 China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Feng","family":"Deng","sequence":"additional","affiliation":[{"name":"National Center for Magnetic Resonance in Wuhan State Key Laboratory of Magnetic Resonance Spectroscopy and Imaging Innovation Academy for Precision Measurement Science and Technology Chinese Academy of Sciences  Wuhan 430071 China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Feng","family":"Ju","sequence":"additional","affiliation":[{"name":"School of Chemical Engineering and East China University of Science and Technology \u2013 Utrecht University Joint Research Center for Sustainable and Circular Chemistry and Chemical Engineering East China University of Science and Technology  Shanghai 200237 China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Hao","family":"Ling","sequence":"additional","affiliation":[{"name":"School of Chemical Engineering and East China University of Science and Technology \u2013 Utrecht University Joint Research Center for Sustainable and Circular Chemistry and Chemical Engineering East China University of Science and Technology  Shanghai 200237 China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Zhendong","family":"Wang","sequence":"additional","affiliation":[{"name":"State Key Laboratory of Green Chemical Engineering and Industrial Catalysis Sinopec Shanghai Research Institute of Petrochemical Technology Co., Ltd.  Shanghai 201208 China"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"311","published-online":{"date-parts":[[2025,10,6]]},"reference":[{"key":"e_1_2_9_1_1","doi-asserted-by":"publisher","DOI":"10.1021\/acs.chemrev.3c00727"},{"key":"e_1_2_9_2_1","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jpcb.4c01807"},{"key":"e_1_2_9_3_1","doi-asserted-by":"publisher","DOI":"10.1038\/s41467-021-27507-x"},{"key":"e_1_2_9_4_1","doi-asserted-by":"publisher","DOI":"10.1126\/science.aav0177"},{"key":"e_1_2_9_5_1","doi-asserted-by":"publisher","DOI":"10.1038\/s41586-023-05821-2"},{"key":"e_1_2_9_6_1","doi-asserted-by":"publisher","DOI":"10.1021\/acs.energyfuels.3c02828"},{"key":"e_1_2_9_7_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.cattod.2017.01.023"},{"key":"e_1_2_9_8_1","doi-asserted-by":"publisher","DOI":"10.1021\/jacs.4c04815"},{"key":"e_1_2_9_9_1","doi-asserted-by":"publisher","DOI":"10.1021\/acscatal.0c04487"},{"key":"e_1_2_9_10_1","doi-asserted-by":"publisher","DOI":"10.1038\/s41467-019-13787-x"},{"key":"e_1_2_9_11_1","doi-asserted-by":"publisher","DOI":"10.1038\/s41929-021-00725-8"},{"key":"e_1_2_9_12_1","doi-asserted-by":"publisher","DOI":"10.1038\/s41586-024-07072-1"},{"key":"e_1_2_9_13_1","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jpcc.0c00311"},{"key":"e_1_2_9_14_1","doi-asserted-by":"publisher","DOI":"10.1038\/s41467-023-44186-y"},{"key":"e_1_2_9_15_1","doi-asserted-by":"publisher","DOI":"10.1021\/acscatal.1c02154"},{"key":"e_1_2_9_16_1","unstructured":"Large Language Models (LLMs): AI models trained on large\u2010scale text corpora to understand and extract information from natural language. They are general\u2010purpose models based on the Transformer architecture capable of performing diverse tasks (e.g. information extraction question answering) through different prompts without task\u2010specific training."},{"key":"e_1_2_9_17_1","unstructured":"Vector\u2010based Statistical Modeling: A computational approach to modelling textual data. We transform text into high\u2010dimensional semantic vectors using the text\u2010embedding\u2010ada\u2010002 model. These vectors serve as input features for Deep Neural Networkmodels enabling the discovery of patterns and the prediction of outcomes from complex unstructured information."},{"key":"e_1_2_9_18_1","doi-asserted-by":"publisher","DOI":"10.1038\/s41467-023-44466-7"},{"key":"e_1_2_9_19_1","doi-asserted-by":"publisher","DOI":"10.1021\/jacsau.2c00176"},{"key":"e_1_2_9_20_1","doi-asserted-by":"publisher","DOI":"10.1021\/acs.accounts.2c00801"},{"key":"e_1_2_9_21_1","doi-asserted-by":"publisher","DOI":"10.1038\/s41587-021-00907-6"},{"key":"e_1_2_9_22_1","doi-asserted-by":"publisher","DOI":"10.1021\/acsomega.0c02055"},{"key":"e_1_2_9_23_1","doi-asserted-by":"publisher","DOI":"10.1038\/s41597-024-03171-w"},{"key":"e_1_2_9_24_1","doi-asserted-by":"publisher","DOI":"10.1021\/acsomega.3c05114"},{"key":"e_1_2_9_25_1","doi-asserted-by":"publisher","DOI":"10.1038\/s41467-024-45563-x"},{"key":"e_1_2_9_26_1","doi-asserted-by":"publisher","DOI":"10.1021\/jacs.3c05819"},{"key":"e_1_2_9_27_1","doi-asserted-by":"publisher","DOI":"10.1038\/s41597-023-02847-z"},{"key":"e_1_2_9_28_1","unstructured":"Deep Neural Networks (DNNs): A type of machine learning model inspired by how the human brain processes information. DNNs consist of multiple layers of connected \u201cneurons\u201d which enable them to automatically learn patterns and features from data."},{"key":"e_1_2_9_29_1","doi-asserted-by":"publisher","DOI":"10.1146\/annurev-vision-082114-035447"},{"key":"e_1_2_9_30_1","doi-asserted-by":"publisher","DOI":"10.1038\/nature14539"},{"key":"e_1_2_9_31_1","doi-asserted-by":"publisher","DOI":"10.1109\/JPROC.2017.2761740"},{"key":"e_1_2_9_32_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.dsp.2017.10.011"},{"key":"e_1_2_9_33_1","doi-asserted-by":"publisher","DOI":"10.1038\/nature25978"},{"key":"e_1_2_9_34_1","doi-asserted-by":"publisher","DOI":"10.1126\/science.aau5631"},{"key":"e_1_2_9_35_1","doi-asserted-by":"publisher","DOI":"10.1021\/acscatal.3c00759"},{"key":"e_1_2_9_36_1","doi-asserted-by":"publisher","DOI":"10.1039\/D0RE00378F"},{"key":"e_1_2_9_37_1","unstructured":"Knowledge Graph (KG): A structured representation of entities and the relationships among them used to integrate retrieve and visualize complex information."},{"key":"e_1_2_9_38_1","unstructured":"Entity: An individual object or concept displayed within the knowledge graph such as \u201cPublished Year\u201d \u201cCatalytic Material\u201d \u201cTarget Product\u201d \u201cOxidizer\u201d \u201cReaction Pressure\u201d \u201cReaction Temperature\u201d \u201cReaction Time\u201d and so on."},{"key":"e_1_2_9_39_1","unstructured":"Relationship: A defined connection between two entities representing how they interact with each other."},{"key":"e_1_2_9_40_1","first-page":"373","volume":"18","author":"Fernandes D.","year":"2018","journal-title":"Data"},{"key":"e_1_2_9_41_1","first-page":"1617290769","volume-title":"Neo4j in action of Book","author":"Vukotic A.","year":"2014"},{"key":"e_1_2_9_42_1","doi-asserted-by":"crossref","unstructured":"F.Holzschuher R.Peinl inProceedings of the Joint EDBT\/ICDT 2013 Workshops2013 pp.195.","DOI":"10.1145\/2457317.2457351"},{"key":"e_1_2_9_43_1","unstructured":"Partial Oxidation: A defined process of oxidizing methane with limited oxygen to produce synthesis gas methanol and other oxygenates with low oxygen content."},{"key":"e_1_2_9_44_1","unstructured":"Contact Time: It is defined as the weight of the catalyst bed divided by the feed rate of reactant also called reactant residence time."},{"key":"e_1_2_9_45_1","unstructured":"Over\u2010oxidation: A defined process refers to the oxidation of methane beyond the desired level often resulting in the formation of unwanted byproducts or complete combustion to CO2 and water."},{"key":"e_1_2_9_46_1","doi-asserted-by":"publisher","DOI":"10.1021\/acs.chemrev.2c00439"},{"key":"e_1_2_9_47_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.jcp.2018.10.045"},{"key":"e_1_2_9_48_1","doi-asserted-by":"publisher","DOI":"10.1021\/acscatal.8b00220"},{"key":"e_1_2_9_49_1","doi-asserted-by":"publisher","DOI":"10.1007\/s40745-022-00438-0"},{"key":"e_1_2_9_50_1","unstructured":"P.Stenetorp S.Pyysalo G.Topi\u0107 T.Ohta S.Ananiadou J. i.Tsujii inProceedings of the Demonstrations at the 13th Conference of the European Chapter of the Association for Computational Linguistics2012 pp.102."},{"key":"e_1_2_9_51_1","author":"Hurst A.","year":"2024","journal-title":"arXiv"},{"key":"e_1_2_9_52_1","doi-asserted-by":"publisher","DOI":"10.1093\/jamia\/ocad259"}],"container-title":["Advanced Science"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/advanced.onlinelibrary.wiley.com\/doi\/pdf\/10.1002\/advs.202514601","content-type":"application\/pdf","content-version":"vor","intended-application":"text-mining"},{"URL":"https:\/\/advanced.onlinelibrary.wiley.com\/doi\/full-xml\/10.1002\/advs.202514601","content-type":"application\/xml","content-version":"vor","intended-application":"text-mining"},{"URL":"https:\/\/advanced.onlinelibrary.wiley.com\/doi\/pdf\/10.1002\/advs.202514601","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2026,8,15]],"date-time":"2026-08-15T18:11:39Z","timestamp":1786817499000},"score":1,"resource":{"primary":{"URL":"https:\/\/advanced.onlinelibrary.wiley.com\/doi\/10.1002\/advs.202514601"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2025,10,6]]},"references-count":52,"journal-issue":{"issue":"48","published-print":{"date-parts":[[2025,12]]}},"alternative-id":["10.1002\/advs.202514601"],"URL":"https:\/\/doi.org\/10.1002\/advs.202514601","archive":["Portico"],"relation":{},"ISSN":["2198-3844","2198-3844"],"issn-type":[{"value":"2198-3844","type":"print"},{"value":"2198-3844","type":"electronic"}],"subject":[],"published":{"date-parts":[[2025,10,6]]},"assertion":[{"value":"2025-07-31","order":0,"name":"received","label":"Received","group":{"name":"publication_history","label":"Publication History"}},{"value":"2025-10-06","order":3,"name":"published","label":"Published","group":{"name":"publication_history","label":"Publication History"}}],"article-number":"e14601"}}