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1.
Inorg Chem ; 62(51): 20901-20905, 2023 Dec 25.
Article in English | MEDLINE | ID: mdl-38085262

ABSTRACT

Not only is excellent performance in SO2 capture by porous materials (uptake above 17 mmol g-1) relevant, but also finding a correlation between the architecture changes into a family and their SO2 adsorption is very useful. In this contribution, we studied the SO2 adsorption behavior (at very low pressure) of an Al(III)-MOF family that shares the pore architecture of MIL-53. The results indicate an inversely proportional trend for the SO2 capture and pore expansion, since by increasing the length of the channel pore, the SO2 uptake gradually decreases. In addition, this trend is clearly observed in the heat of adsorption, which describes the interaction between the SO2 molecule and the µ-OH functional group. These finding are supported by experimental analysis and computational studies.

2.
Dalton Trans ; 52(1): 16-19, 2022 Dec 20.
Article in English | MEDLINE | ID: mdl-36472152

ABSTRACT

The SO2 capture performance of MIL-53(Al)-TDC was optimised by confining a small amount of MeOH within its pores (MeOH@MIL-53(Al)-TDC). In comparison with fully activated MIL-53(Al)-TDC, MeOH@MIL-53(Al)-TDC shows a 39% higher SO2 capture capacity. Monte Carlo simulations revealed that such an enhancement is associated with an increase in the degree of confinement via the SO2 molecules resulting from the formation of a lump (MeOH molecules) in the vicinity of the µ-OH groups.

3.
ACS Appl Mater Interfaces ; 13(33): 39363-39370, 2021 Aug 25.
Article in English | MEDLINE | ID: mdl-34378377

ABSTRACT

Metal-organic frameworks MIL-53(Al)-TDC and MIL-53(Al)-BDC were explored in the SO2 adsorption process. MIL-53(Al)-TDC was shown to behave as a rigid-like material upon SO2 adsorption. On the other hand, MIL-53(Al)-BDC exhibits guest-induced flexibility of the framework with the presence of multiple steps in the SO2 adsorption isotherm that was related through molecular simulations to the existence of three different pore opening phases narrow pore, intermediate pore, and large pore. Both materials proved to be exceptional candidates for SO2 capture, even under wet conditions, with excellent SO2 adsorption, good cycling, chemical stability, and easy regeneration. Further, we propose MIL-53(Al)-TDC and MIL-53(A)-BDC of potential interest for SO2 sensing and SO2 storage/transportation, respectively.

4.
Dalton Trans ; 49(27): 9203-9207, 2020 Jul 21.
Article in English | MEDLINE | ID: mdl-32614350

ABSTRACT

The adsorption of sulphur dioxide (SO2) in CAU-10 is obtained with the use of advanced experimental and computational tools to gain insight into the molecular mechanisms responsible for the adsorption of SO2. It is shown that the adsorption by CAU-10 is highly energy efficient and that van der Waals interactions are the driving force that controls adsorption in this system.

5.
iScience ; 23(6): 101156, 2020 Jun 26.
Article in English | MEDLINE | ID: mdl-32450520

ABSTRACT

The Sc(III) MOF-type MFM-300(Sc) is demonstrated in this study to be stable under physiological conditions (PBS), biocompatible (to human skin cells), and an efficient drug carrier for the long-term controlled release (through human skin) of antioxidant ferulate. MFM-300(Sc) also preserves the antioxidant pharmacological effects of ferulate while enhancing the bio-preservation of dermal skin fibroblasts, during the delivery process. These discoveries pave the way toward the extended use of Sc(III)-based MOFs as drug delivery systems (DDSs).

6.
Chem Commun (Camb) ; 55(21): 3049-3052, 2019 Mar 07.
Article in English | MEDLINE | ID: mdl-30714581

ABSTRACT

The MOF-type MIL-53(Al)-TDC was demonstrated to be an optimal adsorbent for H2S capture combining an unprecedented uptake at room temperature, excellent cyclability and low-temperature regeneration.

7.
Chem Commun (Camb) ; 52(67): 10273-6, 2016 Aug 11.
Article in English | MEDLINE | ID: mdl-27469274

ABSTRACT

CO2 capture of InOF-1 was enhanced 3.6-fold, at 1 bar and 30 °C, by confining EtOH within its pores. Direct visualisation by single crystal X-ray diffraction revealed that EtOH divides InOF-1 channels in wide sections separated by "bottlenecks" caused by EtOH molecules bonded to the µ2-OH functional groups of InOF-1.

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