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Here, we report that sulfur vacancy (SV)-rich pyrite efficiently degrades MeHg under dark, anoxic conditions via an innovative pathway involving vacancy-activated water (H2O). Experimental and theoretical evidence reveals that SVs serve a dual function: they enhance MeHg adsorption, weakening the carbon\u2013mercury bond, while simultaneously activating ambient H2O to generate surface-bound hydroxyl radicals (\u2022OH) that drive demethylation. The reaction rapidly converts MeHg into inorganic Hg(II), which is subsequently sequestered as insoluble, nanocrystalline metacinnabar (\u03b2-HgS) epitaxially anchored to the pyrite surface. Crucially, this \u03b2-HgS byproduct demonstrates negligible bioavailability in incubation experiments with Geobacter sulfurreducens PCA, a key mercury-transforming bacterium in paddy soils. This work establishes a \u201cdegrade and sequester\u201d mechanism that transforms a mobile neurotoxin into a geochemically stable mineral phase. Our findings provide a sustainable, mineral-based strategy for the in situ remediation of MeHg-contaminated anoxic environments, closing the mercury loop and mitigating its entry into the food chain.<\/jats:p>","DOI":"10.1021\/acs.est.6c06914","type":"journal-article","created":{"date-parts":[[2026,8,28]],"date-time":"2026-08-28T12:25:07Z","timestamp":1787919907000},"page":"24970-24980","source":"Crossref","is-referenced-by-count":0,"title":["Water Activation\non Sulfur Vacancies Enables Pyrite-Mediated\nMethylmercury Demethylation and Immobilization"],"prefix":"10.1021","volume":"60","author":[{"given":"Lei","family":"Yang","sequence":"first","affiliation":[{"name":"Nankai University , , 38 Tongyan Road , ,","place":["Tianjin, China, 300350"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-5331-3911","authenticated-orcid":true,"given":"Shengli","family":"Hou","sequence":"additional","affiliation":[{"name":"Nankai University , , 38 Tongyan Road , ,","place":["Tianjin, China, 300350"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Ying","family":"Guo","sequence":"additional","affiliation":[{"name":"Nankai University , , 38 Tongyan Road , ,","place":["Tianjin, China, 300350"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Zhiying","family":"Zhang","sequence":"additional","affiliation":[{"name":"Nankai University , , 38 Tongyan Road , ,","place":["Tianjin, China, 300350"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Cancan","family":"Ling","sequence":"additional","affiliation":[{"name":"Shanghai Jiao Tong University , , ,","place":["Shanghai, P. R. China, 200240"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Zhanhua","family":"Zhang","sequence":"additional","affiliation":[{"name":"Ministry of Agriculture and Rural Affairs , , ,","place":["Tianjin, China, 300191"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-6842-9167","authenticated-orcid":true,"given":"Lizhi","family":"Zhang","sequence":"additional","affiliation":[{"name":"Shanghai Jiao Tong University , , ,","place":["Shanghai, P. R. China, 200240"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-2106-4284","authenticated-orcid":true,"given":"Wei","family":"Chen","sequence":"additional","affiliation":[{"name":"Nankai University , , 38 Tongyan Road , ,","place":["Tianjin, China, 300350"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-8151-3697","authenticated-orcid":true,"given":"Tong","family":"Zhang","sequence":"additional","affiliation":[{"name":"Nankai University , , 38 Tongyan Road , ,","place":["Tianjin, China, 300350"]}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"316","published-online":{"date-parts":[[2026,8,23]]},"reference":[{"issue":"16","key":"2026090809064539300_cit1","doi-asserted-by":"publisher","first-page":"6563","DOI":"10.1021\/acs.est.3c01299","article-title":"Toward a global model of methylmercury biomagnification in marine\nfood webs: trophic dynamics and implications for human exposure","volume":"57","author":"Wu","year":"2023","journal-title":"Environ. 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