Data for "Relative Reactivity and Bioavailability of Mercury Sorbed to or Coprecipitated with Aged Iron Sulfides"

The potential for inorganic mercury (Hg) to be converted to methylmercury depends, in part, on the chemical form of Hg and its bioavailability to anaerobic microorganisms that can methylate Hg. In anaerobic settings, Hg can be associated with sulfide phases, including ferrous iron sulfide (FeS), which can sorb or coprecipitated with Hg. The objective of this study was to determine if the aging state of FeS alters the Hg coordination environment as well as the reactivity and bioavailability of sorbed and coprecipitated Hg species. FeS particles were synthesized with and without Hg2+ and aged in anaerobic conditions for multiple time frames spanning from 1 hour to 1 month. For FeS particles synthesized without Hg, Hg2+ was subsequently sorbed to the FeS for 1 day. Analysis of Hg speciation of these materials by X-ray absorption near edge spectroscopy revealed a predominance of 4-coodinate Hg-S species in the sorbed Hg-FeS solids and a mixture of 2- and 4-coordinate Hg-S in the coprecipitated Hg-FeS. The leaching potential of the Hg was assessed by exposing the particles to a solution of dissolved glutathione (a thiolate-based Hg chelator). As expected, the sorbed Hg-FeS released more soluble Hg compared to the co-precipitated Hg-FeS. However, when these particles were exposed to Desulfovibrio desulfuricans ND132 (a known Hg methylator), more Hg was methylated from the co-precipitated Hg-FeS than the sorbed Hg-FeS, consistent with expectations from the Hg-S coordination state and inconsistent with the selective leaching results. Overall, these results suggest that the bioavailability of particulate Hg cannot be easily discerned by leaching potential into bulk solution. Rather, bioavailability entails more subtle interactions at particle-cell interfaces and perhaps correlates with the local Hg-S coordination state in the particles. This data package contains data shown in the referenced publication, including all figures. Each figure is available in the respective *.csv file and a summary of all files are also included in the the xlsx file. Additional formatted data include X-ray diffraction data of the FeS solids are also available in a HPF format (Panalytical software), X-ray absorption spectroscopy data as *.prj files (Athena), and X-ray fluorescence data in its raw data form.无机汞（Hg）转化为甲基汞的潜力，部分取决于汞的化学形态，以及可介导汞甲基化的厌氧微生物对其的生物可利用性。在厌氧环境中，汞可与硫化物物相结合，包括硫化亚铁（FeS），后者可吸附汞或与汞发生共沉淀。本研究的目标为探究硫化亚铁的老化状态是否会改变汞的配位环境，以及吸附态与共沉淀态汞物种的反应活性与生物可利用性。 研究人员合成了含与不含Hg²+的硫化亚铁颗粒，并在厌氧条件下陈化1小时至1个月不等的时长。对于未预先添加Hg²+合成的硫化亚铁颗粒，后续将Hg²+吸附于其表面并陈化1天。通过X射线吸收近边结构光谱（X-ray absorption near edge spectroscopy）对这些材料的汞形态进行分析后发现：吸附态汞-硫化亚铁固体中以四配位Hg-S物种为主，而共沉淀态汞-硫化亚铁体系中则同时存在二配位与四配位Hg-S物种。 通过将颗粒置于溶解型谷胱甘肽（一种基于硫醇盐的汞螯合剂）溶液中，评估了汞的浸出潜力。正如预期，吸附态汞-硫化亚铁相比共沉淀态汞-硫化亚铁释放了更多可溶性汞。然而，当这些颗粒与脱硫弧菌Desulfovibrio desulfuricans ND132（一种已知的汞甲基化菌）共同孵育时，共沉淀态汞-硫化亚铁中被甲基化的汞量反而高于吸附态汞-硫化亚铁，这一结果与基于Hg-S配位状态的预期相符，但与选择性浸出实验的结果相悖。 综上，本研究结果表明，颗粒态汞的生物可利用性无法仅通过体相溶液中的浸出潜力进行简单推断。生物可利用性实则涉及颗粒-细胞界面处更为微妙的相互作用，或与颗粒内部局部Hg-S配位状态密切相关。 本数据包包含已发表文献中的全部数据，涵盖所有图表。每张图表均对应独立的*.csv文件，所有文件的汇总信息也包含于xlsx文件中。此外，格式化数据还包括：硫化亚铁固体的X射线衍射数据（采用HPF格式，适配Panalytical软件）、X射线吸收光谱数据（保存为*.prj文件，适配Athena软件），以及原始格式的X射线荧光光谱数据。