Refinement of pore size at sub-angstrom precision in robust metal–organic frameworks for separation of xylenes

Li, Xin; Wang, Juehua; Bai, Nan-Nan; Zhang, Xinran; Han, Xue; Silva, Iván da; Morris, Christopher G.; Xu, Shaojun; Wilary, Damian M.; Sun, Yinyong; Cheng, Yongqiang; Murray, Claire; Tang, Chiu C.; Frogley, Mark D.; Cinque, Gianfelice; Lowe, Tristan; Zhang, Haifei; Ramirez‐Cuesta, Anibal J.; Thomas, K. Mark; Bolton, Leslie W.; Yang, Sihai; Schröder, Martin

doi:10.1038/s41467-020-17640-4

Cited by 80 publications

(62 citation statements)

References 71 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…reported a series of MFM‐300(M) (M=In, V, Fe, Al) for the separation of xylene isomers at room temperature, achieving selectivity (PX< OX< MX) and separation factors of 4.6–18 for PX and MX. [111] Xing al. also reported a ZU‐61 MOF with accessible and rotational Lewis basic sites for the adaptive molecular discrimination of xylene isomers (Figure 17 ).…”

Section: Separation Of C 8 Aromaticsmentioning

confidence: 99%

Separation and Purification of Hydrocarbons with Porous Materials

Weckhuysen

2021

Angew Chem Int Ed

177

View full text Add to dashboard Cite

This Minireview focuses on the developments of the adsorptive separation of methane/nitrogen, ethene/ethane, propene/propane mixtures as well as on the separation of C8 aromatics (i.e. xylene isomers) with a wide variety of materials, including carbonaceous materials, zeolites, metal–organic frameworks, and porous organic frameworks. Some recent important developments for these adsorptive separations are also highlighted. The advantages and disadvantages of each material category are discussed and guidelines for the design of improved materials are proposed. Furthermore, challenges and future developments of each material type and separation processes are discussed.

show abstract

Section: Separation Of C 8 Aromaticsmentioning

confidence: 99%

Separation and Purification of Hydrocarbons with Porous Materials

Weckhuysen

2021

Angew Chem Int Ed

177

View full text Add to dashboard Cite

show abstract

“…By virtue of the isoreticular principle and building blocks approach in MOF chemistry, the pore adjustment of porous materials has been performed in a more predictable and more precise way 20 – 24 . By substituting organic linkers and/or metal nodes, the pore space in MOFs can integrate shape matching and specific binding toward targeted gas molecules 25 , 26 . SIFSIX-type MOFs featuring anionic MF 6 2− groups (M = Si, Ti, Ge, etc.)…”

Section: Introductionmentioning

confidence: 99%

Fine pore engineering in a series of isoreticular metal-organic frameworks for efficient C2H2/CO2 separation

et al. 2022

View full text Add to dashboard Cite

The separation of C2H2/CO2 is not only industrially important for acetylene purification but also scientifically challenging owing to their high similarities in physical properties and molecular sizes. Ultramicroporous metal-organic frameworks (MOFs) can exhibit a pore confinement effect to differentiate gas molecules of similar size. Herein, we report the fine-tuning of pore sizes in sub-nanometer scale on a series of isoreticular MOFs that can realize highly efficient C2H2/CO2 separation. The subtle structural differences lead to remarkable adsorption performances enhancement. Among four MOF analogs, by integrating appropriate pore size and specific binding sites, [Cu(dps)2(SiF6)] (SIFSIX-dps-Cu, SIFSIX = SiF62-, dps = 4.4’-dipyridylsulfide, also termed as NCU-100) exhibits the highest C2H2 uptake capacity and C2H2/CO2 selectivity. At room temperature, the pore space of SIFSIX-dps-Cu significantly inhibits CO2 molecules but takes up a large amount of C2H2 (4.57 mmol g−1), resulting in a high IAST selectivity of 1787 for C2H2/CO2 separation. The multiple host-guest interactions for C2H2 in both inter- and intralayer cavities are further revealed by dispersion-corrected density functional theory and grand canonical Monte Carlo simulations. Dynamic breakthrough experiments show a clean C2H2/CO2 separation with a high C2H2 working capacity of 2.48 mmol g−1.

show abstract

“…[Color figure can be viewed at wileyonlinelibrary.com] hardly sustain the passage of molecules with a radius of $7 Å like m-xylene (Li et al, 2020). We were puzzled that despite our finding that benzyl bromide can act as a competitive inhibitor of xylene-activated XylR in vivo (in both E. coli and P. putida, Figs.…”

Section: Discussionmentioning

confidence: 87%

An updated structural model of the A domain of the Pseudomonas putida XylR regulator poses an atypical interplay with aromatic effectors

Dvořák

Alvarez-Carreño

Ciordia

et al. 2021

Environmental Microbiology

View full text Add to dashboard Cite

A revised model of the aromatic binding A domain of the σ 54 -dependent regulator XylR of Pseudomonas putida mt-2 was produced based on the known 3D structures of homologous regulators PoxR, MopR and DmpR. The resulting frame was instrumental for mapping a number of mutations known to alter effector specificity, which were then reinterpreted under a dependable spatial reference. Some of these changes involved the predicted aromatic binding pocket but others occurred in distant locations, including dimerization interfaces and putative zinc binding site. The effector pocket was buried within the protein structure and accessible from the outside only through a narrow tunnel. Yet, several loop regions of the A domain could provide the flexibility required for widening such a tunnel for passage of aromatic ligands. The model was experimentally validated by treating the cells in vivo and the purified protein in vitro with benzyl bromide, which reacts with accessible nucleophilic residues on the protein surface. Structural and proteomic analyses confirmed the predicted in/out distribution of residues but also supported two additional possible scenarios of interaction of the A domain with aromatic effectors: a dynamic interaction of the fully structured yet flexible protein with the aromatic partner and/or inducer-assisted folding of the A domain.

show abstract

Refinement of pore size at sub-angstrom precision in robust metal–organic frameworks for separation of xylenes

Cited by 80 publications

References 71 publications

Separation and Purification of Hydrocarbons with Porous Materials

Separation and Purification of Hydrocarbons with Porous Materials

Fine pore engineering in a series of isoreticular metal-organic frameworks for efficient C2H2/CO2 separation

An updated structural model of the A domain of the Pseudomonas putida XylR regulator poses an atypical interplay with aromatic effectors

Contact Info

Product

Resources

About