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Published in 2019 at "Inorganic chemistry"
DOI: 10.1021/acs.inorgchem.9b00148
Abstract: A flexible-ligand-based metal-organic cage containing functional amide and secondary amino groups as guest-interacted sites has been synthesized. The synergistic effect between the size-defined cavity and self-adaptive backbone endows the cage excellent properties for the selective…
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Keywords:
ligand based;
selective recognition;
self adaptive;
metal organic ... See more keywords
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Published in 2021 at "ACS Catalysis"
DOI: 10.1021/acscatal.1c01542
Abstract: The development of a bidirectional catalyst for oxygen reduction and water oxidation is the key to establishing sustainable energy transduction from renewable resources. We report a stable homogene...
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Keywords:
ligand molecular;
water;
electrocatalyst unfurls;
unfurls bidirectional ... See more keywords
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Published in 2022 at "Journal of the American Chemical Society"
DOI: 10.1021/jacs.2c05486
Abstract: Dicarbon is a reactive carbon allotrope that naturally exists only in the high-temperature medium of stellar space. We report the successful preparation of a series of bottleable phosphine-stabilized dicarbon (PDC) molecules. We explore the use…
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Keywords:
pdc;
flexible ligand;
dicarbon flexible;
reactive dicarbon ... See more keywords
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Published in 2022 at "Chemical communications"
DOI: 10.1039/d2cc04700d
Abstract: A conformationally flexible ligand, [(Flu)-(CH2)2-(NHC)-CH2-(NHC)-(CH2)2-(Flu)]2- (L), that offers four sequential organic donor modules and enwraps a Ca2+ pseudo-tetrahedrally in a twisted 'S'-shape is devised. The [(L)Ca] synthesis is intriguingly stepwise involving the intermediate [(LH)Ca(HMDS)], whereas…
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Keywords:
ch2 nhc;
flexible ligand;
flu ch2;
ch2 ... See more keywords
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Published in 2020 at "BMC Bioinformatics"
DOI: 10.1186/s12859-020-03630-2
Abstract: Background Protein-ligand docking has emerged as a particularly important tool in drug design and development, and flexible ligand docking is a widely used method for docking simulations. Many docking software packages can simulate flexible ligand…
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Keywords:
flexible ligand;
swarm optimization;
particle swarm;
ligand ... See more keywords