Abstract：
:Arsenic is one of the inorganic pollutants typically found in natural waters, and its toxic effects on the human body are currently of great concern. For this reason, the search for detoxifying agents that can be used in a so-called "chelation therapy" is of primary importance. However, to the aim of finding the thermodynamic behavior of efficient chelating agents, extensive speciation studies, capable of reproducing physiological conditions in terms of pH, temperature, and ionic strength, are in order. Here, we report on the acid-base properties of meso-2,3-dimercaptosuccinic acid (DMSA) at different temperatures (i.e., T = 288.15, 298.15, 310.15, and 318.15 K). In particular, its capability to interact with As(III) has been investigated by experimentally evaluating some crucial thermodynamic parameters (ΔH and TΔS), stability constants, and its speciation model. Additionally, in order to gather information on the microscopic coordination modalities of As(III) with the functional groups of DMSA and, at the same time, to better interpret the experimental results, a series of state-of-the-art ab initio molecular dynamics simulations have been performed. For the sake of completeness, the sequestering capabilities of DMSA-a simple dithiol ligand-toward As(III) are directly compared with those recently emerged from similar analyses reported on monothiol ligands.
journal_name
Chem Res Toxicoljournal_title
Chemical research in toxicologyauthors
Chillè D,Cassone G,Giacobello F,Giuffrè O,Nardo VM,Ponterio RC,Saija F,Sponer J,Trusso S,Foti Cdoi
10.1021/acs.chemrestox.9b00506subject
Has Abstractpub_date
2020-04-20 00:00:00pages
967-974issue
4eissn
0893-228Xissn
1520-5010journal_volume
33pub_type
杂志文章abstract：:The reactions of aqueous ClO2 with tyrosine, N-acetyltyrosine, and dopa (3,4-dihydroxyphenylalanine) are investigated from pH 4 to 7. The reaction rates increase greatly with pH to give a series of oxidized products. Tyrosine and N-acetyltyrosine have similar reactivities with second-order rate constants (25.0 degrees...
journal_title：Chemical research in toxicology
pub_type： 杂志文章
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journal_title：Chemical research in toxicology
pub_type： 杂志文章
doi：10.1021/tx020029b
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journal_title：Chemical research in toxicology
pub_type： 杂志文章
doi：10.1021/acs.chemrestox.5b00468
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journal_title：Chemical research in toxicology
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journal_title：Chemical research in toxicology
pub_type： 杂志文章
doi：10.1021/acs.chemrestox.8b00068
更新日期：2018-08-20 00:00:00
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journal_title：Chemical research in toxicology
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doi：10.1021/tx00035a017
更新日期：1993-09-01 00:00:00
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journal_title：Chemical research in toxicology
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更新日期：2011-09-19 00:00:00
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journal_title：Chemical research in toxicology
pub_type： 杂志文章
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更新日期：1993-05-01 00:00:00
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journal_title：Chemical research in toxicology
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更新日期：2007-10-01 00:00:00
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journal_title：Chemical research in toxicology
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更新日期：1996-01-01 00:00:00
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journal_title：Chemical research in toxicology
pub_type： 杂志文章
doi：10.1021/tx025527z
更新日期：2002-07-01 00:00:00
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journal_title：Chemical research in toxicology
pub_type： 杂志文章
doi：10.1021/acs.chemrestox.0c00232
更新日期：2020-12-21 00:00:00
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journal_title：Chemical research in toxicology
pub_type： 杂志文章
doi：10.1021/tx800251p
更新日期：2009-02-01 00:00:00
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journal_title：Chemical research in toxicology
pub_type： 杂志文章
doi：10.1021/acs.chemrestox.9b00385
更新日期：2020-02-17 00:00:00
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journal_title：Chemical research in toxicology
pub_type： 杂志文章
doi：10.1021/tx300365g
更新日期：2012-11-19 00:00:00
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更新日期：1999-10-01 00:00:00
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更新日期：2009-09-01 00:00:00
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更新日期：2011-10-17 00:00:00
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更新日期：1996-10-01 00:00:00
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journal_title：Chemical research in toxicology
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更新日期：2014-08-18 00:00:00
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journal_title：Chemical research in toxicology
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更新日期：1993-03-01 00:00:00
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journal_title：Chemical research in toxicology
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更新日期：2019-06-17 00:00:00
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journal_title：Chemical research in toxicology
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doi：10.1021/tx0155449
更新日期：2002-02-01 00:00:00
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journal_title：Chemical research in toxicology
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更新日期：1997-12-01 00:00:00
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journal_title：Chemical research in toxicology
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更新日期：2011-05-16 00:00:00
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journal_title：Chemical research in toxicology
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更新日期：2007-11-01 00:00:00
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journal_title：Chemical research in toxicology
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更新日期：2015-03-16 00:00:00
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journal_title：Chemical research in toxicology
pub_type： 杂志文章
doi：10.1021/tx980056v
更新日期：1998-09-01 00:00:00
