Surface-Enhanced Raman Spectroscopy for Bisphenols Detection: Toward a Better Understanding of the Analyte–Nanosystem Interactions
Silver nanoparticles functionalized with thiolated β-cyclodextrin (CD-SH) were employed for the detection of bisphenols (BPs) A, B, and S by means of surface-enhanced Raman spectroscopy (SERS). The functionalization of Ag nanoparticles with CD-SH leads to an improvement of the sensitivity of the imp...
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| Format: | Article |
| Language: | English |
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MDPI AG
2021-03-01
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| Series: | Nanomaterials |
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| Online Access: | https://www.mdpi.com/2079-4991/11/4/881 |
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| author | Eleonora Roschi Cristina Gellini Marilena Ricci Santiago Sanchez-Cortes Claudia Focardi Bruno Neri Juan Carlos Otero Isabel López-Tocón Giulietta Smulevich Maurizio Becucci |
| author_facet | Eleonora Roschi Cristina Gellini Marilena Ricci Santiago Sanchez-Cortes Claudia Focardi Bruno Neri Juan Carlos Otero Isabel López-Tocón Giulietta Smulevich Maurizio Becucci |
| author_sort | Eleonora Roschi |
| collection | DOAJ |
| description | Silver nanoparticles functionalized with thiolated β-cyclodextrin (CD-SH) were employed for the detection of bisphenols (BPs) A, B, and S by means of surface-enhanced Raman spectroscopy (SERS). The functionalization of Ag nanoparticles with CD-SH leads to an improvement of the sensitivity of the implemented SERS nanosensor. Using a multivariate analysis of the SERS data, the limit of detection of these compounds was estimated at about 10<sup>−7</sup> M, in the range of the tens of ppb. Structural analysis of the CD-SH/BP complex was performed by density functional theory (DFT) calculations. Theoretical results allowed the assignment of key structural vibrational bands related to ring breathing motions and the inter-ring vibrations and pointed out an external interaction due to four hydrogen bonds between the hydroxyl groups of BP and CD located at the external top of the CD cone. DFT calculations allowed also checking the interaction energies of the different molecular species on the Ag surface and testing the effect of the presence of CD-SH on the BPs’ affinity. These findings were in agreement with the experimental evidences that there is not an actual inclusion of BP inside the CD cavity. The SERS sensor and the analysis procedure of data based on partial least square regression proposed here were tested in a real sample consisting of the detection of BPs in milk extracts to validate the detection performance of the SERS sensor. |
| first_indexed | 2024-03-10T12:46:42Z |
| format | Article |
| id | doaj.art-9b15b12b5d444db9a42a2330c89445e7 |
| institution | Directory Open Access Journal |
| issn | 2079-4991 |
| language | English |
| last_indexed | 2024-03-10T12:46:42Z |
| publishDate | 2021-03-01 |
| publisher | MDPI AG |
| record_format | Article |
| series | Nanomaterials |
| spelling | doaj.art-9b15b12b5d444db9a42a2330c89445e72023-11-21T13:27:23ZengMDPI AGNanomaterials2079-49912021-03-0111488110.3390/nano11040881Surface-Enhanced Raman Spectroscopy for Bisphenols Detection: Toward a Better Understanding of the Analyte–Nanosystem InteractionsEleonora Roschi0Cristina Gellini1Marilena Ricci2Santiago Sanchez-Cortes3Claudia Focardi4Bruno Neri5Juan Carlos Otero6Isabel López-Tocón7Giulietta Smulevich8Maurizio Becucci9Dipartimento di Chimica “Ugo Schiff”, Università di Firenze, I-50019 Sesto Fiorentino (Fi), ItalyDipartimento di Chimica “Ugo Schiff”, Università di Firenze, I-50019 Sesto Fiorentino (Fi), ItalyDipartimento di Chimica “Ugo Schiff”, Università di Firenze, I-50019 Sesto Fiorentino (Fi), ItalyInstituto de Estructura de la Materia, IEM-CSIC, Serrano, 121, E-28006 Madrid, SpainIstituto Zooprofilattico Sperimentale delle Regioni Lazio e Toscana, I-50010 San Martino alla Palma (FI), ItalyIstituto Zooprofilattico Sperimentale delle Regioni Lazio e Toscana, I-00178 Roma, ItalyAndalucía Tech, Unidad Asociada IEM-CSIC, Departamento de Química Física, Facultad de Ciencias, Universidad de Málaga, E-29071 Málaga, SpainAndalucía Tech, Unidad Asociada IEM-CSIC, Departamento de Química Física, Facultad de Ciencias, Universidad de Málaga, E-29071 Málaga, SpainDipartimento di Chimica “Ugo Schiff”, Università di Firenze, I-50019 Sesto Fiorentino (Fi), ItalyDipartimento di Chimica “Ugo Schiff”, Università di Firenze, I-50019 Sesto Fiorentino (Fi), ItalySilver nanoparticles functionalized with thiolated β-cyclodextrin (CD-SH) were employed for the detection of bisphenols (BPs) A, B, and S by means of surface-enhanced Raman spectroscopy (SERS). The functionalization of Ag nanoparticles with CD-SH leads to an improvement of the sensitivity of the implemented SERS nanosensor. Using a multivariate analysis of the SERS data, the limit of detection of these compounds was estimated at about 10<sup>−7</sup> M, in the range of the tens of ppb. Structural analysis of the CD-SH/BP complex was performed by density functional theory (DFT) calculations. Theoretical results allowed the assignment of key structural vibrational bands related to ring breathing motions and the inter-ring vibrations and pointed out an external interaction due to four hydrogen bonds between the hydroxyl groups of BP and CD located at the external top of the CD cone. DFT calculations allowed also checking the interaction energies of the different molecular species on the Ag surface and testing the effect of the presence of CD-SH on the BPs’ affinity. These findings were in agreement with the experimental evidences that there is not an actual inclusion of BP inside the CD cavity. The SERS sensor and the analysis procedure of data based on partial least square regression proposed here were tested in a real sample consisting of the detection of BPs in milk extracts to validate the detection performance of the SERS sensor.https://www.mdpi.com/2079-4991/11/4/881SERScyclodextrinbisphenol Abisphenol Bbisphenol SDFT calculations |
| spellingShingle | Eleonora Roschi Cristina Gellini Marilena Ricci Santiago Sanchez-Cortes Claudia Focardi Bruno Neri Juan Carlos Otero Isabel López-Tocón Giulietta Smulevich Maurizio Becucci Surface-Enhanced Raman Spectroscopy for Bisphenols Detection: Toward a Better Understanding of the Analyte–Nanosystem Interactions Nanomaterials SERS cyclodextrin bisphenol A bisphenol B bisphenol S DFT calculations |
| title | Surface-Enhanced Raman Spectroscopy for Bisphenols Detection: Toward a Better Understanding of the Analyte–Nanosystem Interactions |
| title_full | Surface-Enhanced Raman Spectroscopy for Bisphenols Detection: Toward a Better Understanding of the Analyte–Nanosystem Interactions |
| title_fullStr | Surface-Enhanced Raman Spectroscopy for Bisphenols Detection: Toward a Better Understanding of the Analyte–Nanosystem Interactions |
| title_full_unstemmed | Surface-Enhanced Raman Spectroscopy for Bisphenols Detection: Toward a Better Understanding of the Analyte–Nanosystem Interactions |
| title_short | Surface-Enhanced Raman Spectroscopy for Bisphenols Detection: Toward a Better Understanding of the Analyte–Nanosystem Interactions |
| title_sort | surface enhanced raman spectroscopy for bisphenols detection toward a better understanding of the analyte nanosystem interactions |
| topic | SERS cyclodextrin bisphenol A bisphenol B bisphenol S DFT calculations |
| url | https://www.mdpi.com/2079-4991/11/4/881 |
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