{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,10,13]],"date-time":"2026-10-13T19:48:02Z","timestamp":1791920882176,"version":"4.3.4"},"reference-count":53,"publisher":"American Chemical Society (ACS)","issue":"40","license":[{"start":{"date-parts":[[2026,9,26]],"date-time":"2026-09-26T00:00:00Z","timestamp":1790380800000},"content-version":"vor","delay-in-days":0,"URL":"https:\/\/creativecommons.org\/licenses\/by\/4.0\/"}],"funder":[{"DOI":"10.13039\/100000165","name":"Division of Chemistry","doi-asserted-by":"publisher","award":["2105005"],"award-info":[{"award-number":["2105005"]}],"id":[{"id":"10.13039\/100000165","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":[],"published-print":{"date-parts":[[2026,10,13]]},"abstract":"<jats:title>Abstract<\/jats:title>\n                  <jats:p>Moisture swing adsorption (MSA) offers an energy-efficient route for direct air capture of CO2 by exploiting humidity-driven sorbent regeneration, yet its performance remains difficult to predict due to the coupled effects of sorbent chemistry, counterion properties, and operating conditions. Here, we present a data-efficient experimental and modeling strategy that systematically maps these interactions across a high-dimensional design space. Using active learning to target regions of maximal uncertainty, we expand experimental coverage from 19 to 77 conditions and, together with curated literature data, assemble a unified dataset of 290 data points (201 distinct experimental conditions) spanning 20 commercial ion-exchange resins. Interpretable machine-learning models trained on this dataset predict CO2 capture capacity (R2 = 0.702, RMSE = 0.164) and identify functional groups, anion basicity, humidity, and CO2 concentration as dominant performance determinants. Guided by these insights, we experimentally validate model-selected resin\u2013anion combinations for two practical scenarios\u2500maximum CO2 capture capacity and moisture-swing efficiency. This work converts fragmented experimental observations into a predictive structure\u2013property framework and demonstrates a generalizable approach for understanding and optimizing complex adsorption systems under data and experimental constraints.<\/jats:p>","DOI":"10.1021\/acs.est.6c07244","type":"journal-article","created":{"date-parts":[[2026,9,26]],"date-time":"2026-09-26T20:01:30Z","timestamp":1790452890000},"page":"28845-28857","source":"Crossref","is-referenced-by-count":0,"title":["Active\nLearning-Guided Optimization of Moisture Swing\nAdsorption for Direct Air Capture"],"prefix":"10.1021","volume":"60","author":[{"given":"Peiling","family":"Yu","sequence":"first","affiliation":[{"name":"Case Western Reserve University , , , ,","place":["Cleveland, Ohio, United States, 44106"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Kai","family":"Zhang","sequence":"additional","affiliation":[{"name":"Case Western Reserve University , , , ,","place":["Cleveland, Ohio, United States, 44106"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-1097-9745","authenticated-orcid":true,"given":"Xiaoyang","family":"Shi","sequence":"additional","affiliation":[{"name":"Columbia University , , , ,","place":["New York, New York, United States, 10027"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Zihan","family":"Zheng","sequence":"additional","affiliation":[{"name":"Case Western Reserve University , , , ,","place":["Cleveland, Ohio, United States, 44106"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-5683-5117","authenticated-orcid":true,"given":"Huichun","family":"Zhang","sequence":"additional","affiliation":[{"name":"Case Western Reserve University , , , ,","place":["Cleveland, Ohio, United States, 44106"]}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"316","published-online":{"date-parts":[[2026,9,26]]},"reference":[{"issue":"12","key":"2026101310172081600_cit1","doi-asserted-by":"publisher","first-page":"6307","DOI":"10.1029\/2018JD029522","article-title":"Improvements in the GISTEMP uncertainty\nmodel","volume":"124","author":"Lenssen","year":"2019","journal-title":"Journal of Geophysical Research: Atmospheres"},{"issue":"37","key":"2026101310172081600_cit2","doi-asserted-by":"publisher","first-page":"E2415","DOI":"10.1073\/pnas.1205276109","article-title":"Perception of climate change","volume":"109","author":"Hansen","year":"2012","journal-title":"Proc. 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Interfaces"},{"key":"2026101310172081600_cit9","doi-asserted-by":"publisher","first-page":"25","DOI":"10.1016\/j.ijggc.2018.11.011","article-title":"Life cycle carbon efficiency of Direct Air Capture\nsystems with strong hydroxide sorbents","volume":"80","author":"de Jonge","year":"2019","journal-title":"International\nJournal of Greenhouse Gas Control"},{"issue":"8","key":"2026101310172081600_cit10","doi-asserted-by":"publisher","first-page":"2047","DOI":"10.1016\/j.joule.2021.05.023","article-title":"A comparative energy\nand costs assessment\nand optimization for direct air capture technologies","volume":"5","author":"Sabatino","year":"2021","journal-title":"Joule"},{"issue":"1","key":"2026101310172081600_cit11","doi-asserted-by":"publisher","first-page":"93","DOI":"10.1140\/epjst\/e2009-01150-3","article-title":"Capture\nof carbon dioxide from ambient air","volume":"176","author":"Lackner","year":"2009","journal-title":"European\nPhysical Journal Special Topics"},{"issue":"18","key":"2026101310172081600_cit12","doi-asserted-by":"publisher","first-page":"6984","DOI":"10.1002\/anie.201906756","article-title":"Sorbents\nfor the direct capture of\nCO2 from ambient air","volume":"59","author":"Shi","year":"2020","journal-title":"Angew. 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Technol."},{"key":"2026101310172081600_cit38","first-page":"68","volume-title":"Gaussian Processes for\nMachine Learning","author":"Rasmussen","year":"2006"},{"issue":"1","key":"2026101310172081600_cit39","doi-asserted-by":"publisher","first-page":"25","DOI":"10.1038\/s41524-018-0081-z","article-title":"A strategy to apply machine learning to small datasets in materials\nscience","volume":"4","author":"Zhang","year":"2018","journal-title":"Npj Computational Materials"},{"issue":"34","key":"2026101310172081600_cit40","doi-asserted-by":"publisher","first-page":"7913","DOI":"10.1039\/C9SC02298H","article-title":"A quantitative\nuncertainty metric controls error in neural network-driven chemical\ndiscovery","volume":"10","author":"Janet","year":"2019","journal-title":"Chemical science"},{"key":"2026101310172081600_cit41","doi-asserted-by":"publisher","first-page":"679","DOI":"10.1016\/j.cej.2015.09.009","article-title":"Preparation and kinetics\nof a heterogeneous sorbent for CO2 capture from the atmosphere","volume":"284","author":"Wang","year":"2016","journal-title":"Chemical Engineering Journal"},{"key":"2026101310172081600_cit42","article-title":"Ion exchangers","volume-title":"Ullmann\u2019s Encyclopedia of Industrial Chemistry","author":"De Dardel","year":"2000"},{"issue":"18","key":"2026101310172081600_cit43","doi-asserted-by":"publisher","first-page":"4984","DOI":"10.1021\/ja00382a058","article-title":"A carbonate receptor\nmodel by macromonocyclic\npolyamines and its physiological implications","volume":"104","author":"Kimura","year":"1982","journal-title":"J. Am. Chem. Soc."},{"issue":"1-2","key":"2026101310172081600_cit44","doi-asserted-by":"publisher","first-page":"41","DOI":"10.1016\/S1381-5148(97)00048-5","article-title":"The behavior of polyprotic\nanions in ion-exchange resins","volume":"35","author":"Horng","year":"1997","journal-title":"React. Funct.\nPolym."},{"issue":"16","key":"2026101310172081600_cit45","doi-asserted-by":"publisher","first-page":"164708","DOI":"10.1063\/1.5027105","article-title":"Humidity effect on ion behaviors\nof moisture-driven CO2 sorbents","volume":"149","author":"Shi","year":"2018","journal-title":"J. Chem. Phys."},{"issue":"39","key":"2026101310172081600_cit46","doi-asserted-by":"publisher","first-page":"4915","DOI":"10.1039\/C8CC02109K","article-title":"Humidity-swing\nmechanism for CO 2\ncapture from ambient air","volume":"54","author":"Yang","year":"2018","journal-title":"Chem. Commun."},{"issue":"2","key":"2026101310172081600_cit47","doi-asserted-by":"publisher","first-page":"680","DOI":"10.1039\/D1EE03018C","article-title":"Migration-assisted,\nmoisture gradient process\nfor ultrafast, continuous CO2 capture from dilute sources at ambient\nconditions","volume":"15","author":"Prajapati","year":"2022","journal-title":"Energy Environ. Sci."},{"issue":"11","key":"2026101310172081600_cit48","doi-asserted-by":"publisher","DOI":"10.1371\/journal.pone.0224365","article-title":"Machine learning\nalgorithm validation with a limited sample size","volume":"14","author":"Vabalas","year":"2019","journal-title":"PloS one"},{"key":"2026101310172081600_cit49","doi-asserted-by":"publisher","first-page":"835","DOI":"10.1016\/S0169-7161(82)02042-2","article-title":"39 Dimensionality and sample size\nconsiderations in\npattern recognition practice","volume":"2","author":"Jain","year":"1982","journal-title":"Handbook of statistics"},{"issue":"3","key":"2026101310172081600_cit50","doi-asserted-by":"publisher","first-page":"326","DOI":"10.1145\/212094.212114","article-title":"Overfitting\nand undercomputing in machine learning","volume":"27","author":"Dietterich","year":"1995","journal-title":"ACM\ncomputing surveys (CSUR)"},{"issue":"18","key":"2026101310172081600_cit51","doi-asserted-by":"publisher","first-page":"6554","DOI":"10.1021\/acssuschemeng.5c00227","article-title":"Investigation of\nMoisture Swing Adsorbents for Direct Air Capture by Dynamic Breakthrough\nStudies","volume":"13","author":"Wang","year":"2025","journal-title":"ACS Sustainable Chem. Eng."},{"key":"2026101310172081600_cit52","doi-asserted-by":"publisher","first-page":"218","DOI":"10.1039\/JR9630000218","article-title":"33. Solvent-modified\npolymer networks. Part I. The preparation and characterisation of\nexpanded-network and macroporous styrene-divinylbenzene copolymers\nand their sulphonates","volume":"0","author":"Millar","year":"1963","journal-title":"Journal of the Chemical\nSociety (Resumed)"},{"issue":"2","key":"2026101310172081600_cit53","doi-asserted-by":"publisher","first-page":"305","DOI":"10.1021\/ja00861a035","article-title":"Macroreticular ion exchange resins","volume":"84","author":"Kunin","year":"1962","journal-title":"J. Am. Chem. 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