Modulation of edge defects on dual-spin filtering in zigzag ß-SiC7 nanoribbons.

The unique edge states of the zigzag ß-SiC7 nanoribbons aroused our attention, and therefore, based on first-principles calculations, we investigated their spin-dependent electronic transport properties by constructing controllable defects to modulate these special edge states. Interestingly, by introducing rectangular edge defects in the SiSi and SiC edge-terminated systems, not only the spin-unpolarized is successfully converted to completely spin-polarized, but also the direction of polarization can be switched, thus enabling a dual spin filter. The analyses further reveal that the two transmission channels with opposite spins are spatially separated and that the transmission eigenstates are highly concentrated at the relative edges. The specific edge defect introduced only suppresses the transmission channel at the same edge but reserves the transmission channel at the other edge. In addition, for the CSi and CC edge-terminated systems, an additional spin-down band exists due to spin splitting in the spin-up band at EF, so that besides the original spatially separated two spin-opposite channels, an extra spin channel is distributed at the upper edge, resulting in unidirectional fully spin-polarized transport. The peculiar spatially separated edge states and excellent spin filtering properties could open up further possibilities for ß-SiC7-based electronic devices in spintronics applications.

Correction: Rich magnetic phase transitions and completely dual-spin polarization of zigzag PC3 nanoribbons under uniaxial strain.

Correction for 'Rich magnetic phase transitions and completely dual-spin polarization of zigzag PC3 nanoribbons under uniaxial strain' by Hui-Min Ni et al., Phys. Chem. Chem. Phys., 2023, https://doi.org/10.1039/d2cp05066h.

Rich magnetic phase transitions and completely dual-spin polarization of zigzag PC3 nanoribbons under uniaxial strain.

Among many modulation methods, strain engineering is often chosen for nanomaterials to produce tunable band gaps continuously. Inspired by the recently reported two-dimensional material PC3, we explore the tuning of strain on the spin-dependent transport properties of PC3 nanoribbons using the first-principle approach. Surprisingly, strain regulation achieves uninterrupted completely dual-spin polarization over a wide energy range near EF. Analysis reveals that the peculiar transmission spectra arise from the interesting evolution of the band structure, in which strain induces bands to shift and broaden/flatten. This results in triggering the transition of PC3NRs from bandgap-tunable bipolar magnetic semiconductors to spin-gapless semiconductors to ferromagnetic metals or half-metal magnets. Their unique performance demonstrates great potential in spintronics, and our study is expected to provide ideas and theoretical support for the design and application of novel PC3-based spintronic devices in the future.

Electrically modulated reversible dual-spin filter in zigzag ß-SiC7 nanoribbons.

Compared with traditional magnetic approaches, electrical modulation of spin-polarized current can greatly reduce the energy consumption and scale of nanodevices and improve their operating speed, which has become a promising research field in spintronics. Motivated by the latest reported novel two-dimensional material ß-SiC7, we employ first-principles calculations to investigate its spin-dependent electron transport with diverse edge configurations. By introducing a gate voltage, the three-terminal device can not only switch between spin-unpolarized and fully spin-polarized states, but also easily change the polarization direction, behaving as an excellent electrically modulated reversible dual-spin filter. Surprisingly, an arbitrary proportion of spin-up and spin-down electron numbers is achieved, enabling precise control of spin polarization. Analysis reveals that it is attributed to the peculiar transmission spectrum, where two broad peaks with opposite spins are located around the Fermi level and respond differently to gate voltage. They belong to the spatially separated edge states originating from the p orbitals of the edge atoms. This feature is robust to different edge configurations of ß-SiC7 nanoribbons, indicating that this may be an intrinsic property of such systems, showing great potential for applications.

Agent Repurposing for the Treatment of Advanced Stage Diffuse Large B-Cell Lymphoma Based on Gene Expression and Network Perturbation Analysis.

Over 50% of diffuse large B-cell lymphoma (DLBCL) patients are diagnosed at an advanced stage. Although there are a few therapeutic strategies for DLBCL, most of them are more effective in limited-stage cancer patients. The prognosis of patients with advanced-stage DLBCL is usually poor with frequent recurrence and metastasis. In this study, we aimed to identify gene expression and network differences between limited- and advanced-stage DLBCL patients, with the goal of identifying potential agents that could be used to relieve the severity of DLBCL. Specifically, RNA sequencing data of DLBCL patients at different clinical stages were collected from the cancer genome atlas (TCGA). Differentially expressed genes were identified using DESeq2, and then, weighted gene correlation network analysis (WGCNA) and differential module analysis were performed to find variations between different stages. In addition, important genes were extracted by key driver analysis, and potential agents for DLBCL were identified according to gene-expression perturbations and the Crowd Extracted Expression of Differential Signatures (CREEDS) drug signature database. As a result, 20 up-regulated and 73 down-regulated genes were identified and 79 gene co-expression modules were found using WGCNA, among which, the thistle1 module was highly related to the clinical stage of DLBCL. KEGG pathway and GO enrichment analyses of genes in the thistle1 module indicated that DLBCL progression was mainly related to the NOD-like receptor signaling pathway, neutrophil activation, secretory granule membrane, and carboxylic acid binding. A total of 47 key drivers were identified through key driver analysis with 11 up-regulated key driver genes and 36 down-regulated key diver genes in advanced-stage DLBCL patients. Five genes (MMP1, RAB6C, ACCSL, RGS21 and MOCOS) appeared as hub genes, being closely related to the occurrence and development of DLBCL. Finally, both differentially expressed genes and key driver genes were subjected to CREEDS analysis, and 10 potential agents were predicted to have the potential for application in advanced-stage DLBCL patients. In conclusion, we propose a novel pipeline to utilize perturbed gene-expression signatures during DLBCL progression for identifying agents, and we successfully utilized this approach to generate a list of promising compounds.