piRNA and PIWI proteins have been confirmed for disease diagnosis and treatment as novel biomarkers due to its abnormal expression in various cancers. However, the current research is not strong enough to further clarify the functions of piRNA in cancer and its underlying mechanism. Therefore, how to provide large-scale and serious piRNA candidates for biological research has grown up to be a pressing issue. In this study, a novel computational model based on the structural perturbation method is proposed to predict potential disease-associated piRNAs, called SPRDA. Notably, SPRDA belongs to positive-unlabeled learning, which is unaffected by negative examples in contrast to previous approaches. In the 5-fold cross-validation, SPRDA shows high performance on the benchmark dataset piRDisease, with an AUC of 0.9529. Furthermore, the predictive performance of SPRDA for 10 diseases shows the robustness of the proposed method. Overall, the proposed approach can provide unique insights into the pathogenesis of the disease and will advance the field of oncology diagnosis and treatment.
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http://dx.doi.org/10.1093/bib/bbac498 | DOI Listing |
Chemphyschem
January 2025
South China University of Technology School of Materials Science and Engineering, State Key Laboratory of Luminescent Materials and Devices and Institute of Polymer Optoelectronic Materials and Devices, 381 Wushan Road, 510640, Guangzhou, CHINA.
Multi-resonance thermally activated delayed fluorescence (MR-TADF) materials possess unique advantages of high-efficiency and narrowband emission, which have rapidly occupied an important position in the field of organic light-emitting diodes (OLEDs). In recent years, significant advancements have been made in the development of MR-TADF materials, particularly in achieving spectral narrowing for high-color-purity OLED applications. Based on diverse MR-TADF molecular skeletons, this review summarizes the primary molecular strategies to narrow spectrum by suppressing structural relaxation and intermolecular interactions.
View Article and Find Full Text PDFAngew Chem Int Ed Engl
January 2025
Nanjing University, School of Chemistry and Chemical Engineering, No. 163 Xianlin Road, 210023, Nanjing, CHINA.
Hydroxylation, an extensive post-translational modification on proline, is critical for the modulation of protein structures, further dominating their functions in life systems. However, current mass spectrometry-based identification, could hardly distinguish hydroxylation from neighboring oxidation due to the same mass shifts, as well as challenges posed by low abundance and exogenous oxidation during sample preparation. To address these, an engineered nanopore was designed, capable of discriminating single hydroxyl group, to achieve the identification of proline hydroxylation on individual native peptides directly in the mixture.
View Article and Find Full Text PDFChem Asian J
January 2025
Kyoto University, Institute for Integrated Cell-Material Sciences, Yoshida, Sakyo-ku, 606-8501, Kyoto, JAPAN.
The architectural characteristics of metal-organic frameworks (MOFs) can be examined through their net topology, which consists of nodes and linkers. A node's connectivity and site symmetry are likely the key elements influencing the net topology of MOFs. Metal-organic polyhedra (MOPs) function effectively as nodes when used as supermolecular building blocks (SBBs).
View Article and Find Full Text PDFNutr Clin Pract
January 2025
Department of Clinical Nutrition, Faculty of Medicine, Hacettepe University, Ankara, Turkey.
Background: This project aimed to develop an evidence-based nursing care bundle after gastrostomy feeding tube insertion and implement it into clinical practice using the Knowledge to Action (KTA) framework.
Methods: This mixed-method design project was conducted in a university hospital between December 2021 and June 2022. The project was carried out in four phases: (1) development of an evidence-based care bundle, (2) education for care bundle training, (3) implementation of the care bundle, (4) evaluation of the care bundle.
Magn Reson Chem
January 2025
Laboratório de Química Computacional e Modelagem Molecular (LQC-MM), Departamento de Química Inorgânica, Instituto de Química, Universidade Federal Fluminense (UFF), Niterói, Rio de Janeiro, Brazil.
We present a DFT-PCM NMR study of 3-indoleacetic acid (3-IAA), used as a working example, including explicit solvent molecules, named PCM-nCHCl, PCM-nDMSO (n = 0, 2, 4, 8, 14, 20, and 25), to investigate the dimer formation in solution. Apart from well-known cyclic (I) and open (II) acetic acid (AA) dimers, two new structures were located on DFT-PCM potential energy surface (PES) for 3-IAA named quasicyclic A (III) and quasicyclic B (IV), the last one having N-H…O hydrogen bond (instead of O-H…O). In addition, four other structures having π-π type interactions named V, VI, VII, and VIII were also obtained completing the sample on the PES.
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