Additional file 1: Table S1. of Disease causality extraction based on lexical semantics and document-clause frequency from biomedical literature

195 Diseases. Table S2. Disease causality pairs (1011 pairs). Figure S1. Causal disease network of 149 diseases. (PDF 1173 kb

Additional file 1: of Network mirroring for drug repositioning

Graph-based Semi-Supervised Learning. (DOCX 38 kb

Visualization 1: Enhancement of light-matter interaction and photocatalytic efficiency of Au/TiO₂ hybrid nanowires

Real-time view of Au growth along hybrid nanowires driven by local UV illumination. Originally published in Optics Express on 11 July 2016 (oe-24-14-15171

Atomic-Layer Deposition into 2- versus 3‑Dimensionally Ordered Nanoporous Media: Pore Size or Connectivity?

Atomic-layer deposition (ALD) is now being recognized as a powerful, general tool for modifying the surfaces of nanomaterials in applications for many energy conversion devices. However, ALD involves slow processes particularly when it is subjected to nanoporous media with high-aspect ratios. Predicting the exact experimental conditions of the desired reactions for coating inside deep pores by ALD is not available because of the lack of complete understanding of diffusion in nanoporous media. Here, we report a comparative study of the ALD coating onto two distinctive templates having nanopores, i.e., 2- and 3-dimensionally ordered media (DOM), of similar porosity and pore dimension. Self-supporting, crack-free templates were carefully prepared in centimeters for both 2- and 3-DOM and thus avoid any possible sources of uncontrollable diffusion of precursor gas molecules through unwanted microvoids and cracks. Comparison of the ALD coating profiles across the thickness of both templates reveals a fundamentally distinct coating mechanism. While a uniform growth zone develops along the pores of the 2-DOM (i.e., 1-D diffusion path), a gradual decrease in the deposition is observed in those of the 3-DOM (i.e., 3-D diffusion path) as ALD pulse time increases. This observation suggests an essential role of the pore connectivity, rather than individual pore sizes, in the gas diffusion dynamics inside nanoporous media. The present model can universally predict the ALD behaviors in nanoporous media even with different types of pore connectivity

Spatial Charge Separation in Asymmetric Structure of Au Nanoparticle on TiO₂ Nanotube by Light-Induced Surface Potential Imaging

Both enhancing the excitons’ lifetime and ingeniously controlling the spatial charge transfer are the key to the realization of efficiently photocatalytic and artificially photosynthetic devices. Nanostructured metal/metal-oxide interfaces often exhibit improved energy conversion efficiency. Understanding the surface potential changes of nano-objects under light illumination is crucial in photoelectrochemical cells. Under ultraviolet (UV) illumination, here, we directly observed the charge separation phenomena at the Au-nanoparticle/TiO₂-nanotube interfaces by using Kelvin probe force microscopy. The surface potential maps of TiO₂ nanotubes with and without Au nanoparticles were compared on the effect of different substrates. We observed that in a steady state, approximately 0.3 electron per Au particle of about 4 nm in diameter is effectively charged and consequently screens the surface potential of the underlying TiO₂ nanotubes. Our observations should help design improved photoelectrochemical devices for energy conversion applications

Initial Self-Ordering of Porous Anodic Alumina: Transition from Polydispersity to Monodispersity

Self-ordered porous anodic alumina (PAA) membranes have been widely employed as a scaffold for fabricating various nanomaterials and functional nanostructures with an excellent uniformity. The self-organization processes are only found in narrow experimental windows even in PAA, and their formation mechanisms have not been fully understood yet and might allow us to access a hint that generally extends into other material systems. Here, we revisit the self-organization process of PAA by experimentally observing its initial stage in great detail. Surface morphologies of PAA were carefully monitored which have been imprinted upon the first anodization in the solutions of oxalic acid around the inflection point in the current–time curves. The physical dimensions were analyzed by electron microscopy, and the degree of ordering was evaluated using the radial power spectral density method. We found that the inflection point reflects the occurrence of a uniform pore diameter as well as interpore distance which is crucial for the self-organization phenomena resulting from the minimization of surface free energy. The proposed model was further supported by electric field simulation near the inflection point

Additional file 1: of Quad-phased data mining modeling for dementia diagnosis

Table of Contents. Table A: The list of selected variables from proposer module. Table B: The list of patient groups from descriptor module. (DOCX 35 kb

Edge-On MoS₂ Thin Films by Atomic Layer Deposition for Understanding the Interplay between the Active Area and Hydrogen Evolution Reaction

The edge sites of molybdenum disulfide (MoS₂) have been shown to be efficient electrocatalysts for the hydrogen evolution reaction (HER). To utilize these structures, two main strategies have been proposed. The first strategy is to use amorphous structures, which should be beneficial in maximizing the area of the edge-site moieties of MoS₂. However, these structures experience structural instability during HER. The other strategy is nanostructuring, in which, to enhance the resulting HER performance, the exposed surfaces of MoS₂ cannot be inert basal planes. Therefore, MoS₂ may need critical nanocrystallinity to produce the desired facets. Here, we first describe that when atomic layer deposition (ALD) is applied to layered materials such as MoS₂, MoS₂ exhibits the nonideal mode of ALD growth on planar surfaces. As a model system, the ALD of MoCl₅ and H₂S was studied. This nonideality does not allow for the conventional linear relationship between the growth thickness and the number of cycles. Instead, it provides the ability to control the relative ratios of the edge sites and basal planes of MoS₂ to the exposed surfaces. The number of edge sites produced was carefully characterized in terms of the geometric surface area and effective work function and was correlated to the HER performance, including Tafel slopes and exchange current densities. We also discussed how, as a result of the low growth temperature, the incorporation of chlorine impurities affected the electron doping and formation of mixed 2H and 1T phases. Remarkably, the resulting 1T phase was stable even upon thermal annealing at 400 °C. With the simple, planar MoS₂ films, we monitored the resulting catalytic performance, finding current densities of up to 20 mA cm^–2 at −0.3 V versus the reversible hydrogen electrode (RHE), a Tafel slope of 50–60 mV/decade, and an onset potential of 143 mV versus RHE

Effect of Rubidium Incorporation on the Structural, Electrical, and Photovoltaic Properties of Methylammonium Lead Iodide-Based Perovskite Solar Cells

We report the electrical properties of rubidium-incorporated methylammonium lead iodide ((Rb_<i>x</i>MA_1–<i>x</i>)­PbI₃) films and the photovoltaic performance of (Rb_<i>x</i>MA_1–<i>x</i>)­PbI₃ film-based p–i–n-type perovskite solar cells (PSCs). The incorporation of a small amount of Rb⁺ (<i>x</i> = 0.05) increases both the open circuit voltage (<i>V</i>_oc) and the short circuit photocurrent density (<i>J</i>_sc) of the PSCs, leading to an improved power conversion efficiency (PCE). However, a high fraction of Rb⁺ incorporation (<i>x</i> = 0.1 and 0.2) decreases the <i>J</i>_sc and thus the PCE, which is attributed to the phase segregation of the single tetragonal perovskite phase to a MA-rich tetragonal perovskite phase and a RbPbI₃ orthorhombic phase at high Rb fractions. Conductive atomic force microscopic and admittance spectroscopic analyses reveal that the single-phase (Rb_0.05MA_0.95)­PbI₃ film has a high electrical conductivity because of a reduced deep-level trap density. We also found that Rb substitution enhances the diode characteristics of the PSC, as evidenced by the reduced reverse saturation current (<i>J</i>₀). The optimized (Rb_<i>x</i>MA_1–<i>x</i>)­PbI₃ PSCs exhibited a PCE of 18.8% with negligible hysteresis in the photocurrent–voltage curve. The results from this work enhance the understanding of the effect of Rb incorporation into organic–inorganic hybrid halide perovskites and enable the exploration of Rb-incorporated mixed perovskites for various applications, such as solar cells, photodetectors, and light-emitting diodes

Cerium-Doped Yttrium Aluminum Garnet Hollow Shell Phosphors Synthesized via the Kirkendall Effect

We report, for the first time, the synthesis of the Y₃Al₅O₁₂:Ce³⁺ hollow phosphor particles with a uniform size distribution via the Kirkendall effect, characterized by using a combination of <i>in situ</i> X-ray diffraction and high-resolution transmission electron microscopy analyses as a function of calcination temperature. The formation of hollow Y₃Al₅O₁₂:Ce³⁺ particles was revealed to originate from the different diffusivities of atoms (Al and Y) in a diffusion couple, causing a supersaturation of lattice vacancies. The optical characterization using photoluminescence spectroscopy and scanning confocal microscopy clearly showed the evidence of YAG (yttrium aluminum garnet) hollow shells with emission at 545 nm. Another advantage of this methodology is that the size of hollow shells can be tunable by changing the size of initial nanotemplates that are spherical aluminum hydroxide nanoparticles. In this study, we synthesized the hollow shell particles with average diameters of 140 and 600 nm as representatives to show the range of particle sizes. Because of the unique structural and optical properties, the Y₃Al₅O₁₂:Ce³⁺ hollow shells can be another alternative to luminescence materials such as quantum dots and organic dyes, which promote their utilization in various fields, including optoelectronic and nanobio devices