Controlling the Uptake and Release of Semiochemicals in Channel-type Metal-Organic Frameworks through Pore Expansion

Joshua Nicks; Greig C. Shearer; Joseph Paul-Taylor; James Lai-Morrice; Christopher Dadswell; Daniel Guest; William O. H. Hughes; John Spencer; Tina Düren; Andrew Burrows

doi:10.1002/chem.202401407

Controlling the Uptake and Release of Semiochemicals in Channel-type Metal-Organic Frameworks through Pore Expansion

Joshua Nicks, Greig C. Shearer, Joseph Paul-Taylor, James Lai-Morrice, Christopher Dadswell, Daniel Guest, William O. H. Hughes, John Spencer, Tina Düren, Andrew Burrows

Research output: Contribution to journal › Article › peer-review

Abstract

Semiochemicals can be used to manipulate insect behaviour for sustainable pest management strategies, but their high volatility is a major issue for their practical implementation. Inclusion of these molecules within porous materials is a potential solution to this issue, as it can allow for a slower and more controlled release. In this work, we demonstrate that a series of Zr(IV) and Al(III) metal-organic frameworks (MOFs) with channel-type pores enable controlled release of three semiochemicals over 100 days by pore size design, with the uptake and rate of release highly dependent on the pore size. Insight from grand canonical Monte Carlo simulations indicates that this is due to weaker MOF-guest interactions per guest molecule as the pore size increases. These MOFs are all stable post-release and can be reloaded to show near-identical re-release profiles. These results provide valuable insight on the diffusion behaviour of volatile guests in MOFs, and for the further development of porous materials for sustainable agriculture applications.

Original language	English
Article number	e202401407
Journal	Chemistry - A European Journal
Volume	30
Issue number	39
Early online date	3 May 2024
DOIs	https://doi.org/10.1002/chem.202401407
Publication status	Published - 11 Jul 2024

Data Availability Statement

The data that support the findings of this study are available in the supplementary material of this article.

Funding

The authors thank the Leverhulme Trust through a Research Project Grant (RPG\u20102019\u2010009), the EPSRC (EP/L016354/1), and the University of Bath for financial support. The authors also acknowledge the Material and Chemical Characterisation Facility (MC) at the University of Bath (doi.org/10.15125/mx6j\u20103r54) for technical support and assistance, and the University of Bath's Research Computing (doi.org/10.15125/b6cd\u2010s854) for support in this work.

Funders	Funder number
University of Bath
Leverhulme Trust	RPG‐2019‐009
Leverhulme Trust
Engineering and Physical Sciences Research Council	EP/L016354/1
Engineering and Physical Sciences Research Council

Keywords

Adsorption
Guest release
Metal-organic frameworks (MOFs)
Porous materials
Sustainable chemistry

ASJC Scopus subject areas

Catalysis
General Chemistry
Organic Chemistry

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10.1002/chem.202401407Licence: CC BY

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title = "Controlling the Uptake and Release of Semiochemicals in Channel-type Metal-Organic Frameworks through Pore Expansion",

abstract = "Semiochemicals can be used to manipulate insect behaviour for sustainable pest management strategies, but their high volatility is a major issue for their practical implementation. Inclusion of these molecules within porous materials is a potential solution to this issue, as it can allow for a slower and more controlled release. In this work, we demonstrate that a series of Zr(IV) and Al(III) metal-organic frameworks (MOFs) with channel-type pores enable controlled release of three semiochemicals over 100 days by pore size design, with the uptake and rate of release highly dependent on the pore size. Insight from grand canonical Monte Carlo simulations indicates that this is due to weaker MOF-guest interactions per guest molecule as the pore size increases. These MOFs are all stable post-release and can be reloaded to show near-identical re-release profiles. These results provide valuable insight on the diffusion behaviour of volatile guests in MOFs, and for the further development of porous materials for sustainable agriculture applications.",

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AU - Lai-Morrice, James

AU - Dadswell, Christopher

AU - Guest, Daniel

AU - Hughes, William O. H.

AU - Spencer, John

AU - Düren, Tina

AU - Burrows, Andrew

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N2 - Semiochemicals can be used to manipulate insect behaviour for sustainable pest management strategies, but their high volatility is a major issue for their practical implementation. Inclusion of these molecules within porous materials is a potential solution to this issue, as it can allow for a slower and more controlled release. In this work, we demonstrate that a series of Zr(IV) and Al(III) metal-organic frameworks (MOFs) with channel-type pores enable controlled release of three semiochemicals over 100 days by pore size design, with the uptake and rate of release highly dependent on the pore size. Insight from grand canonical Monte Carlo simulations indicates that this is due to weaker MOF-guest interactions per guest molecule as the pore size increases. These MOFs are all stable post-release and can be reloaded to show near-identical re-release profiles. These results provide valuable insight on the diffusion behaviour of volatile guests in MOFs, and for the further development of porous materials for sustainable agriculture applications.

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Controlling the Uptake and Release of Semiochemicals in Channel-type Metal-Organic Frameworks through Pore Expansion

Abstract

Data Availability Statement

Funding

Keywords

ASJC Scopus subject areas

Access to Document

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