A Regulable Internal Cavity inside a Resorcinarene‐Based Hemicarcerand

Covalent organic capsules, such as carcerands and hemicarcerands, are an interesting class of molecular hosts. These container molecules have confined spaces capable of hosting small molecules, although the fact that the size of the inner cavities cannot be changed substantially limits the scope of their applications. The title covalently linked container was produced by metal‐directed dimerization of a resorcinarene‐based cavitand having four 2,2′‐bipyridyl arms on the wide rim followed by olefin metathesis at the vertices of the resulting capsule with a second‐generation Grubbs catalyst. The covalently linked bipyridyl arms permit expansion of the inner cavity by demetalation. This structural change influences the molecular recognition properties; the metal‐coordinated capsule recognizes only 4,4′‐diacetoxybiphenyl, whereas the metal‐free counterpart can encapsulate not only 4,4′‐diacetoxybiphenyl, but also 2,5‐disubstituted‐1,4‐bis(4‐acetoxyphenylethynyl)benzene, which is 9.4 Å longer than the former guest. Molecular mechanics calculations predict that the capsule expands the internal cavity to encapsulate the long guest by unfolding the folded conformation of the alkyl chains, which demonstrates the flexible and regulable nature of the cavity. Guest competition experiments show that the preferred guest can be switched by metalation and demetalation. This external‐stimuli‐responsive guest exchange can be utilized for the development of functional supramolecular systems controlling the uptake, transport, and release of chemicals.This work was supported by JSPS KAKENHI Grant Numbers 18K05085, JP17H05375, JP19H04585, and JP17H05159. Funding from the Ogasawara Foundation for the Promotion of Science & Engineering, the Futaba Electronics Memorial Foundation, the Nippon Sheet Glass Foundation, the Iketani Science and Technology Foundation, the Takahashi Industrial and Economic Research Foundation, and the Fukuoka Naohiko Memorial Foundation is gratefully acknowledged

Generalization of pixel-wise phase estimation by CNN and improvement of phase-unwrapping by MRF optimization for one-shot 3D scan

Active stereo technique using single pattern projection, a.k.a. one-shot 3D scan, have drawn a wide attention from industry, medical purposes, etc. One severe drawback of one-shot 3D scan is sparse reconstruction. In addition, since spatial pattern becomes complicated for the purpose of efficient embedding, it is easily affected by noise, which results in unstable decoding. To solve the problems, we propose a pixel-wise interpolation technique for one-shot scan, which is applicable to any types of static pattern if the pattern is regular and periodic. This is achieved by U-net which is pre-trained by CG with efficient data augmentation algorithm. In the paper, to further overcome the decoding instability, we propose a robust correspondence finding algorithm based on Markov random field (MRF) optimization. We also propose a shape refinement algorithm based on b-spline and Gaussian kernel interpolation using explicitly detected laser curves. Experiments are conducted to show the effectiveness of the proposed method using real data with strong noises and textures.Comment: MVA202