Amplification of Electronic Circular Dichroism—A Tool to Follow Self-Assembly of Chiral Molecular Capsules
Electronic circular dichroism (ECD) can be used to study various aspects of self-assembly (definition of stoichiometric ratios, chirality amplification during self-assembly, host-guest complexation). In this work, we show that ECD is a valuable tool for monitoring the self-assembly of chiral peptide...
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| Format: | Article |
| Language: | English |
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MDPI AG
2021-11-01
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| Series: | Molecules |
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| Online Access: | https://www.mdpi.com/1420-3049/26/23/7100 |
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| author | Marek P. Szymański Marcin Grajda Agnieszka Szumna |
| author_facet | Marek P. Szymański Marcin Grajda Agnieszka Szumna |
| author_sort | Marek P. Szymański |
| collection | DOAJ |
| description | Electronic circular dichroism (ECD) can be used to study various aspects of self-assembly (definition of stoichiometric ratios, chirality amplification during self-assembly, host-guest complexation). In this work, we show that ECD is a valuable tool for monitoring the self-assembly of chiral peptide-based capsules. By analyzing the signs, intensities, and temperature dependences of ECD bands, the effects of the non-specific processes can be separated from the restriction of intramolecular motion (RIM) caused by discrete self-assembly. Analysis of experimental and theoretical ECD spectra show that the differences between assembled and non-assembled species originate from induction of inherently chiral conformation and restriction of conformational freedom that leads to amplification of ECD signals during self-assembly of discrete species. |
| first_indexed | 2024-03-10T04:48:47Z |
| format | Article |
| id | doaj.art-d36bec51bd444408b9a631f58a12eeeb |
| institution | Directory Open Access Journal |
| issn | 1420-3049 |
| language | English |
| last_indexed | 2024-03-10T04:48:47Z |
| publishDate | 2021-11-01 |
| publisher | MDPI AG |
| record_format | Article |
| series | Molecules |
| spelling | doaj.art-d36bec51bd444408b9a631f58a12eeeb2023-11-23T02:47:20ZengMDPI AGMolecules1420-30492021-11-012623710010.3390/molecules26237100Amplification of Electronic Circular Dichroism—A Tool to Follow Self-Assembly of Chiral Molecular CapsulesMarek P. Szymański0Marcin Grajda1Agnieszka Szumna2Institute of Organic Chemistry, Polish Academy of Sciences, Kasprzaka 44/52, 01-224 Warsaw, PolandInstitute of Organic Chemistry, Polish Academy of Sciences, Kasprzaka 44/52, 01-224 Warsaw, PolandInstitute of Organic Chemistry, Polish Academy of Sciences, Kasprzaka 44/52, 01-224 Warsaw, PolandElectronic circular dichroism (ECD) can be used to study various aspects of self-assembly (definition of stoichiometric ratios, chirality amplification during self-assembly, host-guest complexation). In this work, we show that ECD is a valuable tool for monitoring the self-assembly of chiral peptide-based capsules. By analyzing the signs, intensities, and temperature dependences of ECD bands, the effects of the non-specific processes can be separated from the restriction of intramolecular motion (RIM) caused by discrete self-assembly. Analysis of experimental and theoretical ECD spectra show that the differences between assembled and non-assembled species originate from induction of inherently chiral conformation and restriction of conformational freedom that leads to amplification of ECD signals during self-assembly of discrete species.https://www.mdpi.com/1420-3049/26/23/7100circular dichroismself-assemblymolecular capsulespeptidesinherent chiralityDFT calculations |
| spellingShingle | Marek P. Szymański Marcin Grajda Agnieszka Szumna Amplification of Electronic Circular Dichroism—A Tool to Follow Self-Assembly of Chiral Molecular Capsules Molecules circular dichroism self-assembly molecular capsules peptides inherent chirality DFT calculations |
| title | Amplification of Electronic Circular Dichroism—A Tool to Follow Self-Assembly of Chiral Molecular Capsules |
| title_full | Amplification of Electronic Circular Dichroism—A Tool to Follow Self-Assembly of Chiral Molecular Capsules |
| title_fullStr | Amplification of Electronic Circular Dichroism—A Tool to Follow Self-Assembly of Chiral Molecular Capsules |
| title_full_unstemmed | Amplification of Electronic Circular Dichroism—A Tool to Follow Self-Assembly of Chiral Molecular Capsules |
| title_short | Amplification of Electronic Circular Dichroism—A Tool to Follow Self-Assembly of Chiral Molecular Capsules |
| title_sort | amplification of electronic circular dichroism a tool to follow self assembly of chiral molecular capsules |
| topic | circular dichroism self-assembly molecular capsules peptides inherent chirality DFT calculations |
| url | https://www.mdpi.com/1420-3049/26/23/7100 |
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