Tarzia, Andrew; Lewis, James E. M.; Jelfs, Kim E. published an article in 2021. The article was titled 《High-Throughput Computational Evaluation of Low Symmetry Pd2L4 Cages to Aid in System Design》, and you may find the article in Angewandte Chemie, International Edition.Recommanded Product: 1692-25-7 The information in the text is summarized as follows:
Unsym. ditopic ligands can self-assemble into reduced-symmetry Pd2L4 metallo-cages with anisotropic cavities, with implications for high specificity and affinity guest-binding. Mixtures of cage isomers can form, however, resulting in undesirable system heterogeneity. It is paramount to be able to design components that preferentially form a single isomer. Previous data suggested that computational methods could predict with reasonable accuracy whether unsym. ligands would preferentially self-assemble into single cage isomers under constraints of geometrical mismatch. Authors successfully apply a collaborative computational and exptl. workflow to mitigate costly trial-and-error synthetic approaches. Their rapid computational workflow constructs unsym. ligands and their Pd2L4 cage isomers, ranking the likelihood for exclusively forming cis-Pd2L4 assemblies. From this narrowed search space, we successfully synthesized four new, low-symmetry, cis-Pd2L4 cages. In the experiment, the researchers used many compounds, for example, Pyridin-3-ylboronic acid(cas: 1692-25-7Recommanded Product: 1692-25-7)
Pyridin-3-ylboronic acid(cas: 1692-25-7) belongs to pyridine. When pyridine is adsorbed on oxide surfaces or in porous materials, the following species are commonly observed: (i) pyridine coordinated to Lewis acid sites, (ii) pyridine H-bonded to weakly acidic hydroxyls, and (iii) protonated pyridine. At high coverage, physisorbed pyridine and protonated dimers can also be observed.Recommanded Product: 1692-25-7