Publications by authors named "Yongbo Shi"

Background: Colon cancer (CC) occurrence and progression are considerably influenced by the tumor microenvironment. However, the exact underlying regulatory mechanisms remain unclear.

Aim: To investigate immune infiltration-related differentially expressed genes (DEGs) in CC and specifically explored the role and potential molecular mechanisms of complement factor I (CFI).

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Using a machine learning (ML) approach to fit DFT data, interatomic potentials have been successfully extracted. In this study, the phase transition, mechanical behavior and lattice thermal conductivity are investigated for halogen perovskites using NEP-based MD simulations in a large supercell including 16 000 atoms, which breaks through the size and temperature effects in DFT. A clear phase transition from orthorhombic (γ) → tetragonal (β) → cubic (α) is observed during the heating process.

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Recently, novel 2D InGeTe has been successfully synthesized and attracted attention due to its excellent properties. In this study, we investigated the mechanical properties and transport behavior of InGeX (X = S, Se and Te) monolayers using density functional theory (DFT) and machine learning (ML). The key physical parameters related to mechanical properties, including Poisson's ratio, elastic modulus, tensile strength and critical strain, were revealed.

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In the breakthrough progress made in the latest experiment Hou(2022507), 2DC60polymer was exfoliated from the quasi-hexagonal bulk crystals. BulkC60polymer with quasi-tetragonal phase was found to easily form 1D fullerene structure withC60molecules connected by C=C. Inspired by the experiment, we investigate the strain behaviors of 1D and 2DC60polymers by first-principles calculations.

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Long non-coding RNAs (lncRNAs) are reported to participate in tumor development. It has been manifested in previous researches that lncRNA is involved in early-stage colon adenocarcinoma with potential diagnostic value. However, no studies have revealed the specific mechanism of in colon cancer, and there are no other studies on whether is associated with tumorigenesis.

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Two ruthenium complexes featuring bulky ancillary ligands, XS48 and XS49, were synthesized and studied as dyes in dye-sensitized solar cells (DSCs). Both dyes exhibit higher solar-to-electrical energy conversion efficiency when compared to a commonly used N3 sensitizer under the same conditions. To examine the influence of the bulky ancillary ligands and alleviate the electron recombination in cells, we have developed a dual functioned truxene-based coadsorbent (MXD1) as an alternative candidate to chenodeoxycholic acid (CDCA).

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