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A comparative study is presented. The method via chemical variational autoencoder (VAE) and the method via similarity search are compared, focusing on their generation ability for new functional molecular design. Focusing on the natural porphyra-334 as a model molecule, we generated three groups: molecules of mycosporine-like amino acids (MAAs) as seeds (

We prepared iodine molecules encapsulated in single-walled carbon nanotubes (I@SWCNTs) by electro-oxidation of iodide ions with empty SWCNT electrode. Li-ion battery electrode properties of I@SWCNTs were investigated. It was found that the I@SWCNT sample can catch and release Li ions reversibly. We performed Raman measurements to reveal the Li-ion storage mechanism of I@SWCNT. It is plausible that chemical reactions of I2 from/into LiI in SWCNTs occur during Li-ion charging/discharging of I@SWCNT. We also prepared the CsI@SWCNT sample to verify that alkali metal ions can be extracted from alkali metal halide in SWCNTs. The extraction of cesium ions from CsI@SWCNT was confirmed by Raman measurements. It was also found that I@SWCNT can work as a Li-ion battery electrode in solid electrolyte as well.

Sulfonated solid acid materials, such as sulfonated carbon catalysts, are promising materials as heterogeneous catalysts for the hydrolysis of esters and polysaccharides in water solvents. The catalytic active site is a sulfonic acid functional group. Compared to conventional strong acidic ion-exchange resin catalysts, sulfonated carbon materials have less sulfonic acid functional groups but higher catalytic activity for hydrolysis of polysaccharides per catalyst weight. However, the details of catalytic properties and the substrate suitability of both catalysts are unclear. In this study, the hydrolytic activities and the adsorption properties of both catalysts were investigated for various oligosaccharides and polysaccharides with varying degrees of polymerization (DP). The catalytic activities for the hydrolysis with increase of the DP of saccharides were found to increase over the sulfonated carbon catalyst but decrease over strong acidic ion-exchange resin catalyst. The inverse catalytic properties attribute to the dependence of the amounts of adsorption and/or penetration of saccharides on the DP. Moreover, the catalytic activity per acidic sites of strong acidic ion-exchange resin is in good agreement with the value obtained by multiplying the catalytic activity of a dilute sulfuric acid by the penetration degrees.