Rational Design of an Ion-Imprinted Polymer for Aqueous Methylmercury Sorption
Autor(a) principal: | |
---|---|
Data de Publicação: | 2020 |
Outros Autores: | , , , , , , |
Tipo de documento: | Artigo |
Idioma: | eng |
Título da fonte: | Repositório do Instituto de Tecnologia de Alimentos |
Texto Completo: | http://repositorio.ital.sp.gov.br/jspui/handle/123456789/122 |
Resumo: | Methylmercury (MeHg+) is a mercury species that is very toxic for humans, and its monitoring and sorption fromenvironmental samples of water are a public health concern. In this work, a combination of theory and experiment was used to rationally synthesize an ion-imprinted polymer (IIP) with the aim of the extraction of MeHg+ from samples of water. Interactions among MeHg+ and possible reaction components in the pre-polymerization stage were studied by computational simulation using density functional theory. Accordingly, 2-mercaptobenzimidazole (MBI) and 2-mercaptobenzothiazole (MBT), acrylic acid (AA) and ethanol were predicted as excellent sulfhydryl ligands, a functional monomer and porogenic solvent, respectively. Characterization studies by scanning electron microscopy (SEM) and Brunauer–Emmett–Teller (BET) revealed the obtention of porous materials with specific surface areas of 11m2 g1 (IIP–MBI–AA) and 5.3m2 g1 (IIP–MBT–AA). Under optimized conditions, the maximum adsorption capacities were 157 g g1 (for IIP–MBI–AA) and 457 g g1 (for IIP–MBT–AA). The IIP–MBT–AA was selected for further experiments and application, and the selectivity coe cients were MeHg+/Hg2+ (0.86), MeHg+/Cd2+ (260), MeHg+/Pb2+ (288) and MeHg+/Zn2+ (1510), highlighting the material’s high a nity for MeHg+. The IIP was successfully applied to the sorption of MeHg+ in river and tap water samples at environmentally relevant concentrations. |
id |
ITAL-2_a5a693ab5d6dfbe2b2d747f12263cc32 |
---|---|
oai_identifier_str |
oai:http://repositorio.ital.sp.gov.br:123456789/122 |
network_acronym_str |
ITAL-2 |
network_name_str |
Repositório do Instituto de Tecnologia de Alimentos |
repository_id_str |
|
spelling |
Rational Design of an Ion-Imprinted Polymer for Aqueous Methylmercury SorptionBulk polymerizationComputational modellingEnvironmental analysisImprinting technologyMethylmercury (MeHg+) is a mercury species that is very toxic for humans, and its monitoring and sorption fromenvironmental samples of water are a public health concern. In this work, a combination of theory and experiment was used to rationally synthesize an ion-imprinted polymer (IIP) with the aim of the extraction of MeHg+ from samples of water. Interactions among MeHg+ and possible reaction components in the pre-polymerization stage were studied by computational simulation using density functional theory. Accordingly, 2-mercaptobenzimidazole (MBI) and 2-mercaptobenzothiazole (MBT), acrylic acid (AA) and ethanol were predicted as excellent sulfhydryl ligands, a functional monomer and porogenic solvent, respectively. Characterization studies by scanning electron microscopy (SEM) and Brunauer–Emmett–Teller (BET) revealed the obtention of porous materials with specific surface areas of 11m2 g1 (IIP–MBI–AA) and 5.3m2 g1 (IIP–MBT–AA). Under optimized conditions, the maximum adsorption capacities were 157 g g1 (for IIP–MBI–AA) and 457 g g1 (for IIP–MBT–AA). The IIP–MBT–AA was selected for further experiments and application, and the selectivity coe cients were MeHg+/Hg2+ (0.86), MeHg+/Cd2+ (260), MeHg+/Pb2+ (288) and MeHg+/Zn2+ (1510), highlighting the material’s high a nity for MeHg+. The IIP was successfully applied to the sorption of MeHg+ in river and tap water samples at environmentally relevant concentrations.MDPIMesa, Ruddy L.Villa, Javier E. L.Khan, SabirPeixoto, Rafaella R. AlvesMorgano, Marcelo A.Gonçalves, Luís MoreiraSotomayor, Maria D. P. T.Picasso, Gino2021-06-18T19:01:40Z2021-06-18T19:01:40Z2020info:eu-repo/semantics/publishedVersioninfo:eu-repo/semantics/articleapplication/pdfMESA, Ruddy L. M.; et. al. Rational design of an ion imprinted polymer for aqueous methylmercury sorption. Nanomaterials, Basel, v.10, n.12, 2541, 2020.http://repositorio.ital.sp.gov.br/jspui/handle/123456789/122reponame:Repositório do Instituto de Tecnologia de Alimentosinstname:Instituto de Tecnologia de Alimentos (ITAL)instacron:ITALenginfo:eu-repo/semantics/openAccess2022-05-20T16:12:54Zoai:http://repositorio.ital.sp.gov.br:123456789/122Repositório InstitucionalPUBhttp://repositorio.ital.sp.gov.br/oai/requestbjftsec@ital.sp.gov.br || bjftsec@ital.sp.gov.bropendoar:2022-05-20T16:12:54Repositório do Instituto de Tecnologia de Alimentos - Instituto de Tecnologia de Alimentos (ITAL)false |
dc.title.none.fl_str_mv |
Rational Design of an Ion-Imprinted Polymer for Aqueous Methylmercury Sorption |
title |
Rational Design of an Ion-Imprinted Polymer for Aqueous Methylmercury Sorption |
spellingShingle |
Rational Design of an Ion-Imprinted Polymer for Aqueous Methylmercury Sorption Mesa, Ruddy L. Bulk polymerization Computational modelling Environmental analysis Imprinting technology |
title_short |
Rational Design of an Ion-Imprinted Polymer for Aqueous Methylmercury Sorption |
title_full |
Rational Design of an Ion-Imprinted Polymer for Aqueous Methylmercury Sorption |
title_fullStr |
Rational Design of an Ion-Imprinted Polymer for Aqueous Methylmercury Sorption |
title_full_unstemmed |
Rational Design of an Ion-Imprinted Polymer for Aqueous Methylmercury Sorption |
title_sort |
Rational Design of an Ion-Imprinted Polymer for Aqueous Methylmercury Sorption |
author |
Mesa, Ruddy L. |
author_facet |
Mesa, Ruddy L. Villa, Javier E. L. Khan, Sabir Peixoto, Rafaella R. Alves Morgano, Marcelo A. Gonçalves, Luís Moreira Sotomayor, Maria D. P. T. Picasso, Gino |
author_role |
author |
author2 |
Villa, Javier E. L. Khan, Sabir Peixoto, Rafaella R. Alves Morgano, Marcelo A. Gonçalves, Luís Moreira Sotomayor, Maria D. P. T. Picasso, Gino |
author2_role |
author author author author author author author |
dc.contributor.none.fl_str_mv |
|
dc.contributor.author.fl_str_mv |
Mesa, Ruddy L. Villa, Javier E. L. Khan, Sabir Peixoto, Rafaella R. Alves Morgano, Marcelo A. Gonçalves, Luís Moreira Sotomayor, Maria D. P. T. Picasso, Gino |
dc.subject.none.fl_str_mv |
|
dc.subject.por.fl_str_mv |
Bulk polymerization Computational modelling Environmental analysis Imprinting technology |
topic |
Bulk polymerization Computational modelling Environmental analysis Imprinting technology |
description |
Methylmercury (MeHg+) is a mercury species that is very toxic for humans, and its monitoring and sorption fromenvironmental samples of water are a public health concern. In this work, a combination of theory and experiment was used to rationally synthesize an ion-imprinted polymer (IIP) with the aim of the extraction of MeHg+ from samples of water. Interactions among MeHg+ and possible reaction components in the pre-polymerization stage were studied by computational simulation using density functional theory. Accordingly, 2-mercaptobenzimidazole (MBI) and 2-mercaptobenzothiazole (MBT), acrylic acid (AA) and ethanol were predicted as excellent sulfhydryl ligands, a functional monomer and porogenic solvent, respectively. Characterization studies by scanning electron microscopy (SEM) and Brunauer–Emmett–Teller (BET) revealed the obtention of porous materials with specific surface areas of 11m2 g1 (IIP–MBI–AA) and 5.3m2 g1 (IIP–MBT–AA). Under optimized conditions, the maximum adsorption capacities were 157 g g1 (for IIP–MBI–AA) and 457 g g1 (for IIP–MBT–AA). The IIP–MBT–AA was selected for further experiments and application, and the selectivity coe cients were MeHg+/Hg2+ (0.86), MeHg+/Cd2+ (260), MeHg+/Pb2+ (288) and MeHg+/Zn2+ (1510), highlighting the material’s high a nity for MeHg+. The IIP was successfully applied to the sorption of MeHg+ in river and tap water samples at environmentally relevant concentrations. |
publishDate |
2020 |
dc.date.none.fl_str_mv |
2020 2021-06-18T19:01:40Z 2021-06-18T19:01:40Z |
dc.type.status.fl_str_mv |
info:eu-repo/semantics/publishedVersion |
dc.type.driver.fl_str_mv |
info:eu-repo/semantics/article |
format |
article |
status_str |
publishedVersion |
dc.identifier.none.fl_str_mv |
|
dc.identifier.uri.fl_str_mv |
MESA, Ruddy L. M.; et. al. Rational design of an ion imprinted polymer for aqueous methylmercury sorption. Nanomaterials, Basel, v.10, n.12, 2541, 2020. http://repositorio.ital.sp.gov.br/jspui/handle/123456789/122 |
identifier_str_mv |
MESA, Ruddy L. M.; et. al. Rational design of an ion imprinted polymer for aqueous methylmercury sorption. Nanomaterials, Basel, v.10, n.12, 2541, 2020. |
url |
http://repositorio.ital.sp.gov.br/jspui/handle/123456789/122 |
dc.language.none.fl_str_mv |
|
dc.language.iso.fl_str_mv |
eng |
language_invalid_str_mv |
|
language |
eng |
dc.rights.none.fl_str_mv |
|
dc.rights.driver.fl_str_mv |
info:eu-repo/semantics/openAccess |
rights_invalid_str_mv |
|
eu_rights_str_mv |
openAccess |
dc.format.none.fl_str_mv |
application/pdf |
dc.publisher.none.fl_str_mv |
MDPI |
publisher.none.fl_str_mv |
MDPI |
dc.source.none.fl_str_mv |
reponame:Repositório do Instituto de Tecnologia de Alimentos instname:Instituto de Tecnologia de Alimentos (ITAL) instacron:ITAL |
instname_str |
Instituto de Tecnologia de Alimentos (ITAL) |
instacron_str |
ITAL |
institution |
ITAL |
reponame_str |
Repositório do Instituto de Tecnologia de Alimentos |
collection |
Repositório do Instituto de Tecnologia de Alimentos |
repository.name.fl_str_mv |
Repositório do Instituto de Tecnologia de Alimentos - Instituto de Tecnologia de Alimentos (ITAL) |
repository.mail.fl_str_mv |
bjftsec@ital.sp.gov.br || bjftsec@ital.sp.gov.br |
_version_ |
1798311817946071040 |