Journal: Computational and Structural Biotechnology Journal

Article Title: WADDAICA: A webserver for aiding protein drug design by artificial intelligence and classical algorithm

doi: 10.1016/j.csbj.2021.06.017

Figure Lengend Snippet: Comparison of scoring power of classical score functions.

Article Snippet: AutoDock (PSO) , 0.466 , 0.513.

Techniques: Comparison

Journal: Nature Communications

Article Title: In-plane quasi-single-domain BaTiO 3 via interfacial symmetry engineering

doi: 10.1038/s41467-021-26660-7

Figure Lengend Snippet: a Calculated atomic structure of BTO/PSO \documentclass[12pt]{minimal} \usepackage{amsmath} \usepackage{wasysym} \usepackage{amsfonts} \usepackage{amssymb} \usepackage{amsbsy} \usepackage{mathrsfs} \usepackage{upgreek} \setlength{\oddsidemargin}{-69pt} \begin{document}$${(110)}_{{{{{{\rm{O}}}}}}}$$\end{document} ( 110 ) O heterostructure. b The spatial polarization distribution of BTO film obtained from the phase field simulation. The film was assumed to be 50 nm thick with a fully coherent interface with respect to the substrate. Color bar reflects the polarization angle with respect to PSO \documentclass[12pt]{minimal} \usepackage{amsmath} \usepackage{wasysym} \usepackage{amsfonts} \usepackage{amssymb} \usepackage{amsbsy} \usepackage{mathrsfs} \usepackage{upgreek} \setlength{\oddsidemargin}{-69pt} \begin{document}$${\left[1\bar{1}0\right]}_{{{{{{\rm{O}}}}}}}$$\end{document} 1 1 ¯ 0 O . c, d The out-of-plane polarization gradually decreases through the film thickness (from ( d ) to ( c )), becomes negligible near the film surface, predicting single domain in-plane BTO film.

Article Snippet: In all experiments, \documentclass[12pt]{minimal} \usepackage{amsmath} \usepackage{wasysym} \usepackage{amsfonts} \usepackage{amssymb} \usepackage{amsbsy} \usepackage{mathrsfs} \usepackage{upgreek} \setlength{\oddsidemargin}{-69pt} \begin{document}$${(110)}_{{{{{{\rm{O}}}}}}}$$\end{document} ( 110 ) O -oriented PSO substrates provided by CrysTec with miscut angles of ~0.1° were used.

Techniques:

Journal: Nature Communications

Article Title: In-plane quasi-single-domain BaTiO 3 via interfacial symmetry engineering

doi: 10.1038/s41467-021-26660-7

Figure Lengend Snippet: a A low-magnification HAADF-STEM image of the BTO film with a zone axis of PSO \documentclass[12pt]{minimal} \usepackage{amsmath} \usepackage{wasysym} \usepackage{amsfonts} \usepackage{amssymb} \usepackage{amsbsy} \usepackage{mathrsfs} \usepackage{upgreek} \setlength{\oddsidemargin}{-69pt} \begin{document}$${[002]}_{{{{{{\rm{O}}}}}}}$$\end{document} [ 002 ] O . b , c High resolution images taken from selected areas (red and blue boxes in Fig. 3( a ), respectively), shows out-of-plane component of Ti-displacement in the middle region ( b ), and near the interface region ( c ) of the BTO film, respectively. Note that the size of arrows corresponds to the amount of Ti-displacement. d Average value of out-of-plane Ti-displacement in each layer of BTO from the interface. e , f , High resolution images showing in-plane component of Ti-displacement in the middle region ( e ), and near the interface region ( f ) of the BTO film. g Average in-plane Ti-displacement in each layer of BTO from the interface. Both out-of-plane and in-plane Ti-displacements are extracted from the same regions in the BTO film. The error bars represent the 80% confidence intervals.

Article Snippet: In all experiments, \documentclass[12pt]{minimal} \usepackage{amsmath} \usepackage{wasysym} \usepackage{amsfonts} \usepackage{amssymb} \usepackage{amsbsy} \usepackage{mathrsfs} \usepackage{upgreek} \setlength{\oddsidemargin}{-69pt} \begin{document}$${(110)}_{{{{{{\rm{O}}}}}}}$$\end{document} ( 110 ) O -oriented PSO substrates provided by CrysTec with miscut angles of ~0.1° were used.

Techniques:

Journal: Nature Communications

Article Title: In-plane quasi-single-domain BaTiO 3 via interfacial symmetry engineering

doi: 10.1038/s41467-021-26660-7

Figure Lengend Snippet: a Schematics depicting parallel electrodes on the BTO/PSO sample. The 10-nm-thick SrRuO 3 patterns which are oriented along two different directions with 50-μm gap are used as electrodes for the measurements. b , c Room temperature hysteresis loop measurements for two parallel electrodes arrangements where the electric field is applied parallel to PSO \documentclass[12pt]{minimal} \usepackage{amsmath} \usepackage{wasysym} \usepackage{amsfonts} \usepackage{amssymb} \usepackage{amsbsy} \usepackage{mathrsfs} \usepackage{upgreek} \setlength{\oddsidemargin}{-69pt} \begin{document}$${[1\bar{1}0]}_{{{{{{\rm{O}}}}}}}$$\end{document} [ 1 1 ¯ 0 ] O ( b ), and PSO \documentclass[12pt]{minimal} \usepackage{amsmath} \usepackage{wasysym} \usepackage{amsfonts} \usepackage{amssymb} \usepackage{amsbsy} \usepackage{mathrsfs} \usepackage{upgreek} \setlength{\oddsidemargin}{-69pt} \begin{document}$${[002]}_{{{{{{\rm{O}}}}}}}$$\end{document} [ 002 ] O ( c ) directions, respectively.

Article Snippet: In all experiments, \documentclass[12pt]{minimal} \usepackage{amsmath} \usepackage{wasysym} \usepackage{amsfonts} \usepackage{amssymb} \usepackage{amsbsy} \usepackage{mathrsfs} \usepackage{upgreek} \setlength{\oddsidemargin}{-69pt} \begin{document}$${(110)}_{{{{{{\rm{O}}}}}}}$$\end{document} ( 110 ) O -oriented PSO substrates provided by CrysTec with miscut angles of ~0.1° were used.

Techniques:

Journal: Nature Communications

Article Title: In-plane quasi-single-domain BaTiO 3 via interfacial symmetry engineering

doi: 10.1038/s41467-021-26660-7

Figure Lengend Snippet: a – e Lateral PFM phase images with various relative sample-cantilever arm angles of 0° ( a ), 60° ( b ), 75° ( c ), 90° ( d ), and 105° ( e ). The inset shows the orientation of the cantilever with respect to the crystallographic directions of the PSO substrate. Note that the angle is defined by the angle between the polarization projection axis and PSO \documentclass[12pt]{minimal} \usepackage{amsmath} \usepackage{wasysym} \usepackage{amsfonts} \usepackage{amssymb} \usepackage{amsbsy} \usepackage{mathrsfs} \usepackage{upgreek} \setlength{\oddsidemargin}{-69pt} \begin{document}$${[1\bar{1}0]}_{{{{{{\rm{O}}}}}}}$$\end{document} [ 1 1 ¯ 0 ] O direction. f In-plane domain structure constructed from PFM images of a – e . The dashed arrows show two orthogonal in-plane components of in-plane polarization (solid arrows), g , Overall configuration of in-plane polarization in the BTO film. Designed single ferroelectric variant is achieved along PSO \documentclass[12pt]{minimal} \usepackage{amsmath} \usepackage{wasysym} \usepackage{amsfonts} \usepackage{amssymb} \usepackage{amsbsy} \usepackage{mathrsfs} \usepackage{upgreek} \setlength{\oddsidemargin}{-69pt} \begin{document}$${[1\bar{1}0]}_{{{{{{\rm{O}}}}}}}$$\end{document} [ 1 1 ¯ 0 ] O direction, while there are unavoidable extra variants along PSO \documentclass[12pt]{minimal} \usepackage{amsmath} \usepackage{wasysym} \usepackage{amsfonts} \usepackage{amssymb} \usepackage{amsbsy} \usepackage{mathrsfs} \usepackage{upgreek} \setlength{\oddsidemargin}{-69pt} \begin{document}$${\left\langle 002\right\rangle }_{{{{{{\rm{O}}}}}}}\,$$\end{document} 002 O directions due to absence of suitable single crystal substrates.

Article Snippet: In all experiments, \documentclass[12pt]{minimal} \usepackage{amsmath} \usepackage{wasysym} \usepackage{amsfonts} \usepackage{amssymb} \usepackage{amsbsy} \usepackage{mathrsfs} \usepackage{upgreek} \setlength{\oddsidemargin}{-69pt} \begin{document}$${(110)}_{{{{{{\rm{O}}}}}}}$$\end{document} ( 110 ) O -oriented PSO substrates provided by CrysTec with miscut angles of ~0.1° were used.

Techniques: Construct, Variant Assay