pH and Medium Polarity-Induced Self-Assembly of Fmoc-Tryptophan into Multiple Superstructures: An Experimental and Theoretical Investigations

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61388963%3A_____%2F25%3A00636153" target="_blank" >RIV/61388963:_____/25:00636153 - isvavai.cz</a>

Výsledek na webu

<a href="https://doi.org/10.1002/cplu.202500036" target="_blank" >https://doi.org/10.1002/cplu.202500036</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1002/cplu.202500036" target="_blank" >10.1002/cplu.202500036</a>

Jazyk výsledku

angličtina

Název v původním jazyce

pH and Medium Polarity-Induced Self-Assembly of Fmoc-Tryptophan into Multiple Superstructures: An Experimental and Theoretical Investigations

Popis výsledku v původním jazyce

Self-assembly of functionalized molecular building blocks is an effective and resource-saving bottom-up technique to generate multiple superstructures with various functionality and morphologies. The nature of the molecule and the factors controlling the overall self-assembly process are extremely vital in fundamental aspects of self-assembly, which deliver insights into the fabrication of multiple assemblies with specific functionality. The self-assembly of suitably functionalized amino acids leads to the formation of diverse structures with distinct properties, making them ideal bio-organic scaffolds for various applications. The present study reports, the pH and solvent polarity-induced self-assembly of 9-fluorenylmethoxycarbonyl (Fmoc)-Tryptophan into various self-assembled superstructures with morphological individualities, explore the plausible pathway of morphological transformation of Fmoc-Trp into multiple superstructures having a wide range of well-defined morphologies, including spheres, hollow spheres, nanoflowers, nanosheets, nanorods, and cube-like structures, as characterized through conventional microscopic techniques. Detailed UV-vis, fluorescence, powder X-ray diffraction analysis, and Fourier transform infrared analyses reveal significant insights into the intermolecular interactions, which trigger the overall self-assembly process. The computational studies, including full geometry optimization and molecular dynamics simulations, are conducted to investigate the aggregation properties of modified amino acids (Fmoc-Trp). These studies highlight the crucial role of pi-pi stacking and hydrogen bonding in tuning the overall self-assembly with morphological variation.

Název v anglickém jazyce

pH and Medium Polarity-Induced Self-Assembly of Fmoc-Tryptophan into Multiple Superstructures: An Experimental and Theoretical Investigations

Popis výsledku anglicky

Self-assembly of functionalized molecular building blocks is an effective and resource-saving bottom-up technique to generate multiple superstructures with various functionality and morphologies. The nature of the molecule and the factors controlling the overall self-assembly process are extremely vital in fundamental aspects of self-assembly, which deliver insights into the fabrication of multiple assemblies with specific functionality. The self-assembly of suitably functionalized amino acids leads to the formation of diverse structures with distinct properties, making them ideal bio-organic scaffolds for various applications. The present study reports, the pH and solvent polarity-induced self-assembly of 9-fluorenylmethoxycarbonyl (Fmoc)-Tryptophan into various self-assembled superstructures with morphological individualities, explore the plausible pathway of morphological transformation of Fmoc-Trp into multiple superstructures having a wide range of well-defined morphologies, including spheres, hollow spheres, nanoflowers, nanosheets, nanorods, and cube-like structures, as characterized through conventional microscopic techniques. Detailed UV-vis, fluorescence, powder X-ray diffraction analysis, and Fourier transform infrared analyses reveal significant insights into the intermolecular interactions, which trigger the overall self-assembly process. The computational studies, including full geometry optimization and molecular dynamics simulations, are conducted to investigate the aggregation properties of modified amino acids (Fmoc-Trp). These studies highlight the crucial role of pi-pi stacking and hydrogen bonding in tuning the overall self-assembly with morphological variation.

Druh

J_imp - Článek v periodiku v databázi Web of Science

CEP obor

—

OECD FORD obor

10403 - Physical chemistry

Projekt

—

Návaznosti

I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Rok uplatnění

2025

Kód důvěrnosti údajů

S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Název periodika

ChemPlusChem

ISSN

2192-6506

e-ISSN

2192-6506

Svazek periodika

90

Číslo periodika v rámci svazku

6

Stát vydavatele periodika

US - Spojené státy americké

Počet stran výsledku

12

Strana od-do

e202500036

Kód UT WoS článku

001461336400001

EID výsledku v databázi Scopus

2-s2.0-105002169770