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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Autor*in:	Marek P. Szymański [verfasserIn] Marcin Grajda [verfasserIn] Agnieszka Szumna [verfasserIn]

Format:	E-Artikel
Sprache:	Englisch

Erschienen:	2021

Schlagwörter:	circular dichroism self-assembly molecular capsules peptides inherent chirality DFT calculations

Übergeordnetes Werk:	In: Molecules - MDPI AG, 2003, 26(2021), 23, p 7100
Übergeordnetes Werk:	volume:26 ; year:2021 ; number:23, p 7100

Links:	Link aufrufen Link aufrufen Link aufrufen Journal toc

DOI / URN:	10.3390/molecules26237100

Katalog-ID:	DOAJ054034248

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520			\|a 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.
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spelling	10.3390/molecules26237100 doi (DE-627)DOAJ054034248 (DE-599)DOAJd36bec51bd444408b9a631f58a12eeeb DE-627 ger DE-627 rakwb eng QD241-441 Marek P. Szymański verfasserin aut Amplification of Electronic Circular Dichroism—A Tool to Follow Self-Assembly of Chiral Molecular Capsules 2021 Text txt rdacontent Computermedien c rdamedia Online-Ressource cr rdacarrier 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. circular dichroism self-assembly molecular capsules peptides inherent chirality DFT calculations Organic chemistry Marcin Grajda verfasserin aut Agnieszka Szumna verfasserin aut In Molecules MDPI AG, 2003 26(2021), 23, p 7100 (DE-627)311313132 (DE-600)2008644-1 14203049 nnns volume:26 year:2021 number:23, p 7100 https://doi.org/10.3390/molecules26237100 kostenfrei https://doaj.org/article/d36bec51bd444408b9a631f58a12eeeb kostenfrei https://www.mdpi.com/1420-3049/26/23/7100 kostenfrei https://doaj.org/toc/1420-3049 Journal toc kostenfrei GBV_USEFLAG_A SYSFLAG_A GBV_DOAJ GBV_ILN_20 GBV_ILN_22 GBV_ILN_23 GBV_ILN_24 GBV_ILN_39 GBV_ILN_40 GBV_ILN_60 GBV_ILN_62 GBV_ILN_63 GBV_ILN_65 GBV_ILN_69 GBV_ILN_70 GBV_ILN_73 GBV_ILN_95 GBV_ILN_105 GBV_ILN_110 GBV_ILN_151 GBV_ILN_161 GBV_ILN_170 GBV_ILN_206 GBV_ILN_213 GBV_ILN_224 GBV_ILN_230 GBV_ILN_285 GBV_ILN_293 GBV_ILN_602 GBV_ILN_2005 GBV_ILN_2009 GBV_ILN_2011 GBV_ILN_2014 GBV_ILN_2055 GBV_ILN_2111 GBV_ILN_4012 GBV_ILN_4037 GBV_ILN_4112 GBV_ILN_4125 GBV_ILN_4126 GBV_ILN_4249 GBV_ILN_4305 GBV_ILN_4306 GBV_ILN_4307 GBV_ILN_4313 GBV_ILN_4322 GBV_ILN_4323 GBV_ILN_4324 GBV_ILN_4325 GBV_ILN_4338 GBV_ILN_4367 GBV_ILN_4700 AR 26 2021 23, p 7100
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allfieldsGer	10.3390/molecules26237100 doi (DE-627)DOAJ054034248 (DE-599)DOAJd36bec51bd444408b9a631f58a12eeeb DE-627 ger DE-627 rakwb eng QD241-441 Marek P. Szymański verfasserin aut Amplification of Electronic Circular Dichroism—A Tool to Follow Self-Assembly of Chiral Molecular Capsules 2021 Text txt rdacontent Computermedien c rdamedia Online-Ressource cr rdacarrier 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. circular dichroism self-assembly molecular capsules peptides inherent chirality DFT calculations Organic chemistry Marcin Grajda verfasserin aut Agnieszka Szumna verfasserin aut In Molecules MDPI AG, 2003 26(2021), 23, p 7100 (DE-627)311313132 (DE-600)2008644-1 14203049 nnns volume:26 year:2021 number:23, p 7100 https://doi.org/10.3390/molecules26237100 kostenfrei https://doaj.org/article/d36bec51bd444408b9a631f58a12eeeb kostenfrei https://www.mdpi.com/1420-3049/26/23/7100 kostenfrei https://doaj.org/toc/1420-3049 Journal toc kostenfrei GBV_USEFLAG_A SYSFLAG_A GBV_DOAJ GBV_ILN_20 GBV_ILN_22 GBV_ILN_23 GBV_ILN_24 GBV_ILN_39 GBV_ILN_40 GBV_ILN_60 GBV_ILN_62 GBV_ILN_63 GBV_ILN_65 GBV_ILN_69 GBV_ILN_70 GBV_ILN_73 GBV_ILN_95 GBV_ILN_105 GBV_ILN_110 GBV_ILN_151 GBV_ILN_161 GBV_ILN_170 GBV_ILN_206 GBV_ILN_213 GBV_ILN_224 GBV_ILN_230 GBV_ILN_285 GBV_ILN_293 GBV_ILN_602 GBV_ILN_2005 GBV_ILN_2009 GBV_ILN_2011 GBV_ILN_2014 GBV_ILN_2055 GBV_ILN_2111 GBV_ILN_4012 GBV_ILN_4037 GBV_ILN_4112 GBV_ILN_4125 GBV_ILN_4126 GBV_ILN_4249 GBV_ILN_4305 GBV_ILN_4306 GBV_ILN_4307 GBV_ILN_4313 GBV_ILN_4322 GBV_ILN_4323 GBV_ILN_4324 GBV_ILN_4325 GBV_ILN_4338 GBV_ILN_4367 GBV_ILN_4700 AR 26 2021 23, p 7100
allfieldsSound	10.3390/molecules26237100 doi (DE-627)DOAJ054034248 (DE-599)DOAJd36bec51bd444408b9a631f58a12eeeb DE-627 ger DE-627 rakwb eng QD241-441 Marek P. Szymański verfasserin aut Amplification of Electronic Circular Dichroism—A Tool to Follow Self-Assembly of Chiral Molecular Capsules 2021 Text txt rdacontent Computermedien c rdamedia Online-Ressource cr rdacarrier 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. circular dichroism self-assembly molecular capsules peptides inherent chirality DFT calculations Organic chemistry Marcin Grajda verfasserin aut Agnieszka Szumna verfasserin aut In Molecules MDPI AG, 2003 26(2021), 23, p 7100 (DE-627)311313132 (DE-600)2008644-1 14203049 nnns volume:26 year:2021 number:23, p 7100 https://doi.org/10.3390/molecules26237100 kostenfrei https://doaj.org/article/d36bec51bd444408b9a631f58a12eeeb kostenfrei https://www.mdpi.com/1420-3049/26/23/7100 kostenfrei https://doaj.org/toc/1420-3049 Journal toc kostenfrei GBV_USEFLAG_A SYSFLAG_A GBV_DOAJ GBV_ILN_20 GBV_ILN_22 GBV_ILN_23 GBV_ILN_24 GBV_ILN_39 GBV_ILN_40 GBV_ILN_60 GBV_ILN_62 GBV_ILN_63 GBV_ILN_65 GBV_ILN_69 GBV_ILN_70 GBV_ILN_73 GBV_ILN_95 GBV_ILN_105 GBV_ILN_110 GBV_ILN_151 GBV_ILN_161 GBV_ILN_170 GBV_ILN_206 GBV_ILN_213 GBV_ILN_224 GBV_ILN_230 GBV_ILN_285 GBV_ILN_293 GBV_ILN_602 GBV_ILN_2005 GBV_ILN_2009 GBV_ILN_2011 GBV_ILN_2014 GBV_ILN_2055 GBV_ILN_2111 GBV_ILN_4012 GBV_ILN_4037 GBV_ILN_4112 GBV_ILN_4125 GBV_ILN_4126 GBV_ILN_4249 GBV_ILN_4305 GBV_ILN_4306 GBV_ILN_4307 GBV_ILN_4313 GBV_ILN_4322 GBV_ILN_4323 GBV_ILN_4324 GBV_ILN_4325 GBV_ILN_4338 GBV_ILN_4367 GBV_ILN_4700 AR 26 2021 23, p 7100
language	English
source	In Molecules 26(2021), 23, p 7100 volume:26 year:2021 number:23, p 7100
sourceStr	In Molecules 26(2021), 23, p 7100 volume:26 year:2021 number:23, p 7100
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topic_facet	circular dichroism self-assembly molecular capsules peptides inherent chirality DFT calculations Organic chemistry
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callnumber-first	Q - Science
author	Marek P. Szymański
spellingShingle	Marek P. Szymański misc QD241-441 misc circular dichroism misc self-assembly misc molecular capsules misc peptides misc inherent chirality misc DFT calculations misc Organic chemistry Amplification of Electronic Circular Dichroism—A Tool to Follow Self-Assembly of Chiral Molecular Capsules
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topic_title	QD241-441 Amplification of Electronic Circular Dichroism—A Tool to Follow Self-Assembly of Chiral Molecular Capsules circular dichroism self-assembly molecular capsules peptides inherent chirality DFT calculations
topic	misc QD241-441 misc circular dichroism misc self-assembly misc molecular capsules misc peptides misc inherent chirality misc DFT calculations misc Organic chemistry
topic_unstemmed	misc QD241-441 misc circular dichroism misc self-assembly misc molecular capsules misc peptides misc inherent chirality misc DFT calculations misc Organic chemistry
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title	Amplification of Electronic Circular Dichroism—A Tool to Follow Self-Assembly of Chiral Molecular Capsules
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title_sort	amplification of electronic circular dichroism—a tool to follow self-assembly of chiral molecular capsules
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title_auth	Amplification of Electronic Circular Dichroism—A Tool to Follow Self-Assembly of Chiral Molecular Capsules
abstract	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.
abstractGer	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.
abstract_unstemmed	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.
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title_short	Amplification of Electronic Circular Dichroism—A Tool to Follow Self-Assembly of Chiral Molecular Capsules
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Amplification of Electronic Circular Dichroism—A Tool to Follow Self-Assembly of Chiral Molecular Capsules

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