Multifunctional Photostable Nanocomplex of ZnO Quantum Dots and Avobenzone via the Promotion of Enolate Tautomer

Abstract Ideal multifunctional ultraviolet radiation (UVR) absorbents with excellent photostability, high molar absorptivity, broadband UVR screening, and desired skin sensorial properties remain a significant challenge for the sunscreen industry. The potential of the nanocomplex (NCx) formed by mic...

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Main Authors: Adersh Asok, Prashant Deshlahra, Animesh M. Ramachandran, Ajit R. Kulkarni
Format: Article
Language:English
Published: Wiley 2018-11-01
Series:Global Challenges
Subjects:
Online Access:https://doi.org/10.1002/gch2.201800025
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author Adersh Asok
Prashant Deshlahra
Animesh M. Ramachandran
Ajit R. Kulkarni
author_facet Adersh Asok
Prashant Deshlahra
Animesh M. Ramachandran
Ajit R. Kulkarni
author_sort Adersh Asok
collection DOAJ
description Abstract Ideal multifunctional ultraviolet radiation (UVR) absorbents with excellent photostability, high molar absorptivity, broadband UVR screening, and desired skin sensorial properties remain a significant challenge for the sunscreen industry. The potential of the nanocomplex (NCx) formed by microwave synthesis of ZnO quantum dots (QDs) in the presence of Avobenzone (Av) for achieving these goals is reported. The NCx exhibits unique synergy between ZnO QD and Av components, which enhances the photostability and molar absorptivity, extends UVA filtering range, and provides a visible emission that matches the typical human in vivo skin emission color. Density functional theory (DFT) and time‐dependent DFT calculations of ZnO‐Av hybrid structures and comparison of their spectroscopic features with experiments suggest that ZnO QDs catalyze the formation of highly photostable surface enolate species via aldol condensation reaction. The combination of experiments and computations used in this study can advance the science and technology of photoprotection.
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spelling doaj.art-99e5838729f448358f0b3bc63787e2512023-08-14T09:40:49ZengWileyGlobal Challenges2056-66462018-11-01211n/an/a10.1002/gch2.201800025Multifunctional Photostable Nanocomplex of ZnO Quantum Dots and Avobenzone via the Promotion of Enolate TautomerAdersh Asok0Prashant Deshlahra1Animesh M. Ramachandran2Ajit R. Kulkarni3Materials Science and Technology Division National Institute for Interdisciplinary Science and Technology Council of Scientific and Industrial Research Thiruvananthapuram 695019 IndiaDepartment of Chemical and Biological Engineering Tufts University 4 Colby St. Medford MA 02155 USAMaterials Science and Technology Division National Institute for Interdisciplinary Science and Technology Council of Scientific and Industrial Research Thiruvananthapuram 695019 IndiaDepartment of Metallurgical Engineering and Materials Science Indian Institute of Technology Bombay Mumbai 400076 IndiaAbstract Ideal multifunctional ultraviolet radiation (UVR) absorbents with excellent photostability, high molar absorptivity, broadband UVR screening, and desired skin sensorial properties remain a significant challenge for the sunscreen industry. The potential of the nanocomplex (NCx) formed by microwave synthesis of ZnO quantum dots (QDs) in the presence of Avobenzone (Av) for achieving these goals is reported. The NCx exhibits unique synergy between ZnO QD and Av components, which enhances the photostability and molar absorptivity, extends UVA filtering range, and provides a visible emission that matches the typical human in vivo skin emission color. Density functional theory (DFT) and time‐dependent DFT calculations of ZnO‐Av hybrid structures and comparison of their spectroscopic features with experiments suggest that ZnO QDs catalyze the formation of highly photostable surface enolate species via aldol condensation reaction. The combination of experiments and computations used in this study can advance the science and technology of photoprotection.https://doi.org/10.1002/gch2.201800025avobenzoneDFT calculationshybrid materialsphotostabilityquantum dots
spellingShingle Adersh Asok
Prashant Deshlahra
Animesh M. Ramachandran
Ajit R. Kulkarni
Multifunctional Photostable Nanocomplex of ZnO Quantum Dots and Avobenzone via the Promotion of Enolate Tautomer
Global Challenges
avobenzone
DFT calculations
hybrid materials
photostability
quantum dots
title Multifunctional Photostable Nanocomplex of ZnO Quantum Dots and Avobenzone via the Promotion of Enolate Tautomer
title_full Multifunctional Photostable Nanocomplex of ZnO Quantum Dots and Avobenzone via the Promotion of Enolate Tautomer
title_fullStr Multifunctional Photostable Nanocomplex of ZnO Quantum Dots and Avobenzone via the Promotion of Enolate Tautomer
title_full_unstemmed Multifunctional Photostable Nanocomplex of ZnO Quantum Dots and Avobenzone via the Promotion of Enolate Tautomer
title_short Multifunctional Photostable Nanocomplex of ZnO Quantum Dots and Avobenzone via the Promotion of Enolate Tautomer
title_sort multifunctional photostable nanocomplex of zno quantum dots and avobenzone via the promotion of enolate tautomer
topic avobenzone
DFT calculations
hybrid materials
photostability
quantum dots
url https://doi.org/10.1002/gch2.201800025
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AT prashantdeshlahra multifunctionalphotostablenanocomplexofznoquantumdotsandavobenzoneviathepromotionofenolatetautomer
AT animeshmramachandran multifunctionalphotostablenanocomplexofznoquantumdotsandavobenzoneviathepromotionofenolatetautomer
AT ajitrkulkarni multifunctionalphotostablenanocomplexofznoquantumdotsandavobenzoneviathepromotionofenolatetautomer