Assembly of the active center of organophosphorus hydrolase in metal–organic frameworks via rational combination of functional ligands

2017 ◽  
Vol 53 (82) ◽  
pp. 11302-11305 ◽  
Author(s):  
Mengfan Xia ◽  
Caixia Zhuo ◽  
Xuejuan Ma ◽  
Xiaohong Zhang ◽  
Huaming Sun ◽  
...  
Keyword(s):  
Active Center ◽  
Coordination Sphere ◽  
Metal Organic Frameworks ◽  
Nerve Agents ◽  
Organophosphorus Hydrolase ◽  
Co Catalysts ◽  
Rational Combination ◽  
Metal Organic

Mimicking the total coordination sphere of the active center of organophosphorus hydrolase in MOFs to destruct nerve agents without co-catalysts.

scholarly journals X-ray crystallographic insights into post-synthetic metalation products in a metal–organic framework

2017 ◽  
Vol 375 (2084) ◽  
pp. 20160028 ◽  
Author(s):  
Michael T. Huxley ◽  
Campbell J. Coghlan ◽  
Witold M. Bloch ◽  
Alexandre Burgun ◽  
Christian J. Doonan ◽  
...  
Keyword(s):  
Transition Metal ◽  
Metal Complexes ◽  
Transition Metal Complexes ◽  
Coordination Sphere ◽  
Metal Organic Frameworks ◽  
Void Space ◽  
X Ray ◽  
X Ray Crystallography ◽  
Metal Nitrates ◽  
Metal Organic

Post-synthetic modification of metal–organic frameworks (MOFs) facilitates a strategic transformation of potentially inert frameworks into functionalized materials, tailoring them for specific applications. In particular, the post-synthetic incorporation of transition-metal complexes within MOFs, a process known as ‘metalation’, is a particularly promising avenue towards functionalizing MOFs. Herein, we describe the post-synthetic metalation of a microporous MOF with various transition-metal nitrates. The parent framework, 1 , contains free-nitrogen donor chelation sites, which readily coordinate metal complexes in a single-crystal to single-crystal transformation which, remarkably, can be readily monitored by X-ray crystallography. The presence of an open void surrounding the chelation site in 1 prompted us to investigate the effect of the MOF pore environment on included metal complexes, particularly examining whether void space would induce changes in the coordination sphere of chelated complexes reminiscent of those found in the solution state. To test this hypothesis, we systematically metalated 1 with first-row transition-metal nitrates and elucidated the coordination environment of the respective transition-metal complexes using X-ray crystallography. Comparison of the coordination sphere parameters of coordinated transition-metal complexes in 1 against equivalent solid- and solution-state species suggests that the void space in 1 does not markedly influence the coordination sphere of chelated species but we show notably different post-synthetic metalation outcomes when different solvents are used. This article is part of the themed issue ‘Coordination polymers and metal–organic frameworks: materials by design’.

Zirconium-Based Metal–Organic Frameworks for the Catalytic Hydrolysis of Organophosphorus Nerve Agents

2020 ◽  
Vol 12 (13) ◽  
pp. 14702-14720 ◽  
Author(s):  
Kent O. Kirlikovali ◽  
Zhijie Chen ◽  
Timur Islamoglu ◽  
Joseph T. Hupp ◽  
Omar K. Farha
Keyword(s):  
Metal Organic Frameworks ◽  
Nerve Agents ◽  
Catalytic Hydrolysis ◽  
Organophosphorus Nerve Agents ◽  
Metal Organic ◽  
Hydrolysis Of

Capture of Nerve Agents and Mustard Gas Analogues by Hydrophobic Robust MOF-5 Type Metal–Organic Frameworks

2011 ◽  
Vol 133 (31) ◽  
pp. 11888-11891 ◽  
Author(s):  
Carmen Montoro ◽  
Fátima Linares ◽  
Elsa Quartapelle Procopio ◽  
Irena Senkovska ◽  
Stefan Kaskel ◽  
...  
Keyword(s):  
Metal Organic Frameworks ◽  
Nerve Agents ◽  
Mustard Gas ◽  
Metal Organic

scholarly journals Magnesium Exchanged Zirconium Metal–Organic Frameworks with Improved Detoxification Properties of Nerve Agents

2019 ◽  
Vol 141 (30) ◽  
pp. 11801-11805 ◽  
Author(s):  
Rodrigo Gil-San-Millan ◽  
Elena López-Maya ◽  
Ana E. Platero-Prats ◽  
Virginia Torres-Pérez ◽  
Pedro Delgado ◽  
...  
Keyword(s):  
Metal Organic Frameworks ◽  
Nerve Agents ◽  
Metal Organic ◽  
Zirconium Metal

scholarly journals Unraveling the synergy between metal–organic frameworks and co-catalysts in photocatalytic water splitting

2020 ◽  
Vol 8 (39) ◽  
pp. 20493-20502
Author(s):  
Stefano Falletta ◽  
Patrick Gono ◽  
Zhendong Guo ◽  
Stavroula Kampouri ◽  
Kyriakos C. Stylianou ◽  
...  
Keyword(s):  
Water Splitting ◽  
Photocatalytic Performance ◽  
Metal Organic Frameworks ◽  
Water Systems ◽  
Band Alignment ◽  
Co Catalyst ◽  
Photocatalytic Water Splitting ◽  
Co Catalysts ◽  
Metal Organic

Theoretical methodologies for the band alignment at MOF/co-catalyst/water systems revealing the electronic and atomistic mechanisms underlying their photocatalytic performance.

scholarly journals Coordination sphere hydrogen bonding as a structural element in metal–organic Frameworks

2021 ◽  
Author(s):  
Chris S. Hawes
Keyword(s):  
Hydrogen Bonding ◽  
Coordination Sphere ◽  
Coordination Polymers ◽  
Metal Organic Frameworks ◽  
Ligand Design ◽  
Design Strategies ◽  
Structural Element ◽  
Metal Organic

Coordination sphere hydrogen bonding in coordination polymers and metal–organic frameworks (MOFs) is examined as a structurally and chemically stabilising influence, accessible through ligand design strategies.

scholarly journals Synthesis of Atomically Precise Single-Crystalline Ru2-Based Coordination Polymers

2020 ◽  
Author(s):  
Wen-Yang Gao ◽  
Gerard Van Trieste ◽  
David Powers
Keyword(s):  
Heterogeneous Catalyst ◽  
Coordination Sphere ◽  
Coordination Polymers ◽  
Network Topology ◽  
Metal Organic Frameworks ◽  
Systematic Variation ◽  
Single Crystalline ◽  
Metal Organic ◽  
Crystalline Metal

Methods to incorporate kinetically inert metal nodes and highly basic ligands into single-crystalline metal-organic frameworks (MOFs) are scarce, which prevents synthesis and systematic variation of many potential heterogeneous catalyst materials. Here we demonstrate that metallopolymerization of kinetically inert Ru<sub>2</sub> metallomonomers via labile Ag–N bonds provides access to a family of atomically precise single-crystalline Ru<sub>2</sub>-based coordination polymers with varied network topology and primary coordination sphere.

scholarly journals Taking Lanthanides out of Isolation: Tuning the Optical Properties of Metal-Organic Frameworks

2020 ◽  
Author(s):  
Samantha L. Anderson ◽  
Davide Tiana ◽  
Christopher Ireland ◽  
Gloria Capano ◽  
Maria Fumanal ◽  
...  
Keyword(s):  
Optical Absorption ◽  
Electronic Properties ◽  
Rational Design ◽  
Computational Study ◽  
Water Solution ◽  
Metal Organic Frameworks ◽  
Visible Region ◽  
Co Catalysts ◽  
Optical And Electronic Properties ◽  
Metal Organic

<div>Metal organic frameworks (MOFs) are increasingly used in applications that rely on the optical and electronic properties of these materials. These applications require a fundamental understanding on how the structure of these materials, and in particular the electronic interactions of the metal node and organic linker, determines these properties. </div><div><br></div><div>Herein, we report a combined experimental and computational study on two families of lanthanide-based MOFs: Ln-SION-1 and Ln-SION-2. Both comprise the same metal and ligand but with differing structural topologies. In the Ln-SION-2 series the optical absorption is dominated by the ligand and using different lanthanides has no impact on the absorption spectrum. The Ln-SION-1 series shows a completely different behavior in which the ligand and the metal node do interact electronically. By changing the lanthanide in Ln-SION-1, we were able to tune the optical absorption from the UV region to absorption that includes a large part of the visible region. For the early lanthanides we observe intraligand (electronic) transitions in the UV region, while for the late lanthanides a new band appears in the visible. DFT calculations showed that the new band in the visible originates in the spatial orbital overlap between the ligand and metal node. Our quantum calculations indicated that Ln-SION-1 with late lanthanides might be (photo)conductive. Experimentally, we confirm that these materials are weakly conductive and that with an appropriate co-catalysts they can generate hydrogen from a water solution using visible light. Our experimental and theoretical analysis provides fundamental insights for the rational design of Ln-MOFs with the desired optical and electronic properties.</div>

Hollow CoSe2 nanocages derived from metal–organic frameworks as efficient non-precious metal co-catalysts for photocatalytic hydrogen production

2019 ◽  
Vol 9 (17) ◽  
pp. 4702-4710 ◽  
Author(s):  
Eun Hwa Kim ◽  
D. Amaranatha Reddy ◽  
Hwan Lee ◽  
Seonghyun Jeong ◽  
D. Praveen Kumar ◽  
...  
Keyword(s):  
Hydrogen Production ◽  
Precious Metal ◽  
Metal Organic Frameworks ◽  
Photocatalytic Hydrogen Production ◽  
Co Catalysts ◽  
Metal Organic

Hollow structured CoSe2 nanocages are developed as efficient co-catalysts for photocatalytic hydrogen productions.

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