Comprehensive Characterization of Linalool-HP-β-Cyclodextrin Inclusion Complexes

The objective of the present study is to obtain linalool- cyclodextrin (CDs) solid complexes for possible applications in the food industry. For this purpose, a detailed study of linalool complexation was carried out at different pH values, to optimize the type of CDs and reaction medium that suppor...

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Main Authors: María Isabel Rodríguez-López, María Teresa Mercader-Ros, Carmen Lucas-Abellán, José Antonio Pellicer, Alfonso Pérez-Garrido, Horacio Pérez-Sánchez, María Josefa Yáñez-Gascón, José Antonio Gabaldón, Estrella Núñez-Delicado
Format: Article
Language:English
Published: MDPI AG 2020-11-01
Series:Molecules
Subjects:
Online Access:https://www.mdpi.com/1420-3049/25/21/5069
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author María Isabel Rodríguez-López
María Teresa Mercader-Ros
Carmen Lucas-Abellán
José Antonio Pellicer
Alfonso Pérez-Garrido
Horacio Pérez-Sánchez
María Josefa Yáñez-Gascón
José Antonio Gabaldón
Estrella Núñez-Delicado
author_facet María Isabel Rodríguez-López
María Teresa Mercader-Ros
Carmen Lucas-Abellán
José Antonio Pellicer
Alfonso Pérez-Garrido
Horacio Pérez-Sánchez
María Josefa Yáñez-Gascón
José Antonio Gabaldón
Estrella Núñez-Delicado
author_sort María Isabel Rodríguez-López
collection DOAJ
description The objective of the present study is to obtain linalool- cyclodextrin (CDs) solid complexes for possible applications in the food industry. For this purpose, a detailed study of linalool complexation was carried out at different pH values, to optimize the type of CDs and reaction medium that support the highest quantity of encapsulated linalool. Once demonstrated the ability of hydroxypropyl-β-cyclodextrin (HP-β-CDs), to form inclusion complexes with linalool (K<sub>C</sub> = 921 ± 21 L mol<sup>−1</sup>) and given their greater complexation efficacy (6.788) at neutral pH, HP-β-CDs were selected to produce solid inclusion complexes by using two different energy sources, ultrasounds and microwave irradiation, subsequently spraying the solutions obtained in the Spray Dryer. To provide scientific solidity to the experimental results, the complexes obtained were characterized by using different instrumental techniques in order to confirm the inclusion of linalool in the HP-β-CDs hydrophobic cavity. The linalool solid complexes obtained were characterized by using <sup>1</sup>H nuclear magnetic resonance (<sup>1</sup>H-NMR) and 2D nuclear magnetic resonance (ROSEY), differential scanning calorimetry, thermogravimetry and Fourier transform infrared spectrometry. Moreover, the structure of the complex obtained were also characterized by molecular modeling.
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spelling doaj.art-5ac831a406134d83990ecae96de378222023-11-20T19:26:28ZengMDPI AGMolecules1420-30492020-11-012521506910.3390/molecules25215069Comprehensive Characterization of Linalool-HP-β-Cyclodextrin Inclusion ComplexesMaría Isabel Rodríguez-López0María Teresa Mercader-Ros1Carmen Lucas-Abellán2José Antonio Pellicer3Alfonso Pérez-Garrido4Horacio Pérez-Sánchez5María Josefa Yáñez-Gascón6José Antonio Gabaldón7Estrella Núñez-Delicado8Molecular Recognition and Encapsulation Research Group (REM), Health Sciences Department, Universidad Católica de Murcia (UCAM), Campus de los Jerónimos 135, Guadalupe, 30107 Murcia, SpainMolecular Recognition and Encapsulation Research Group (REM), Health Sciences Department, Universidad Católica de Murcia (UCAM), Campus de los Jerónimos 135, Guadalupe, 30107 Murcia, SpainMolecular Recognition and Encapsulation Research Group (REM), Health Sciences Department, Universidad Católica de Murcia (UCAM), Campus de los Jerónimos 135, Guadalupe, 30107 Murcia, SpainMolecular Recognition and Encapsulation Research Group (REM), Health Sciences Department, Universidad Católica de Murcia (UCAM), Campus de los Jerónimos 135, Guadalupe, 30107 Murcia, SpainStructural Bioinformatics and High Performance Computing Group (BIO-HPC), Computer Engineering Department, Universidad Católica de Murcia (UCAM), Campus de los Jerónimos 135, Guadalupe, 30107 Murcia, SpainStructural Bioinformatics and High Performance Computing Group (BIO-HPC), Computer Engineering Department, Universidad Católica de Murcia (UCAM), Campus de los Jerónimos 135, Guadalupe, 30107 Murcia, SpainMolecular Recognition and Encapsulation Research Group (REM), Health Sciences Department, Universidad Católica de Murcia (UCAM), Campus de los Jerónimos 135, Guadalupe, 30107 Murcia, SpainMolecular Recognition and Encapsulation Research Group (REM), Health Sciences Department, Universidad Católica de Murcia (UCAM), Campus de los Jerónimos 135, Guadalupe, 30107 Murcia, SpainMolecular Recognition and Encapsulation Research Group (REM), Health Sciences Department, Universidad Católica de Murcia (UCAM), Campus de los Jerónimos 135, Guadalupe, 30107 Murcia, SpainThe objective of the present study is to obtain linalool- cyclodextrin (CDs) solid complexes for possible applications in the food industry. For this purpose, a detailed study of linalool complexation was carried out at different pH values, to optimize the type of CDs and reaction medium that support the highest quantity of encapsulated linalool. Once demonstrated the ability of hydroxypropyl-β-cyclodextrin (HP-β-CDs), to form inclusion complexes with linalool (K<sub>C</sub> = 921 ± 21 L mol<sup>−1</sup>) and given their greater complexation efficacy (6.788) at neutral pH, HP-β-CDs were selected to produce solid inclusion complexes by using two different energy sources, ultrasounds and microwave irradiation, subsequently spraying the solutions obtained in the Spray Dryer. To provide scientific solidity to the experimental results, the complexes obtained were characterized by using different instrumental techniques in order to confirm the inclusion of linalool in the HP-β-CDs hydrophobic cavity. The linalool solid complexes obtained were characterized by using <sup>1</sup>H nuclear magnetic resonance (<sup>1</sup>H-NMR) and 2D nuclear magnetic resonance (ROSEY), differential scanning calorimetry, thermogravimetry and Fourier transform infrared spectrometry. Moreover, the structure of the complex obtained were also characterized by molecular modeling.https://www.mdpi.com/1420-3049/25/21/5069linaloolHP-β-cyclodextrinssolid complexeschemical characterizationmolecular modeling
spellingShingle María Isabel Rodríguez-López
María Teresa Mercader-Ros
Carmen Lucas-Abellán
José Antonio Pellicer
Alfonso Pérez-Garrido
Horacio Pérez-Sánchez
María Josefa Yáñez-Gascón
José Antonio Gabaldón
Estrella Núñez-Delicado
Comprehensive Characterization of Linalool-HP-β-Cyclodextrin Inclusion Complexes
Molecules
linalool
HP-β-cyclodextrins
solid complexes
chemical characterization
molecular modeling
title Comprehensive Characterization of Linalool-HP-β-Cyclodextrin Inclusion Complexes
title_full Comprehensive Characterization of Linalool-HP-β-Cyclodextrin Inclusion Complexes
title_fullStr Comprehensive Characterization of Linalool-HP-β-Cyclodextrin Inclusion Complexes
title_full_unstemmed Comprehensive Characterization of Linalool-HP-β-Cyclodextrin Inclusion Complexes
title_short Comprehensive Characterization of Linalool-HP-β-Cyclodextrin Inclusion Complexes
title_sort comprehensive characterization of linalool hp β cyclodextrin inclusion complexes
topic linalool
HP-β-cyclodextrins
solid complexes
chemical characterization
molecular modeling
url https://www.mdpi.com/1420-3049/25/21/5069
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