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Directed Electrostatics Strategy Integrated as a Graph Neural Network Approach for Accelerated Cluster Structure Prediction.
J Chem Theory Comput
January 2025
Advanced Artificial Intelligence Theoretical and Computational Chemistry Laboratory, School of Chemistry, University of Hyderabad, Hyderabad, Telangana 500046, India.
We present a directed electrostatics strategy integrated as a graph neural network (DESIGNN) approach for predicting stable nanocluster structures on their potential energy surfaces (PESs). The DESIGNN approach is a graph neural network (GNN)-based model for building structures of large atomic clusters with specific sizes and point-group symmetry. This model assists in the structure building of atomic metal clusters by predicting molecular electrostatic potential (MESP) topography minima on their structural evolution paths.
View Article and Find Full Text PDFThe Indo-Burma biodiversity hotspot for ferns: Updated phylogeny, hidden diversity, and biogeography of the java fern genus (Polypodiaceae).
Plant Divers
November 2024
CAS Key Laboratory of Mountain Ecological Restoration and Bioresource Utilization and Ecological Restoration and Biodiversity Conservation Key Laboratory of Sichuan Province, Chengdu Institute of Biology, Chinese Academy of Sciences, P.O. Box 416, Chengdu, Sichuan 610041, China.
The Indo-Burma Biodiversity Hotspot is renowned for its rich biodiversity, including that of vascular plants. However, the fern diversity and its endemism in this hotspot have not been well understood and so far, the diversity of very few groups of ferns in this region has been explored using combined molecular and morphological approaches. Here, we updated the plastid phylogeny of the Java fern genus with 226 (115% increase of the latest sampling) samples across the distribution range, specifically those of three phylogenetically significant species, , .
View Article and Find Full Text PDFDirected evolution of an orthogonal transcription engine for programmable gene expression in eukaryotes.
iScience
January 2025
Laboratory of Antibody Discovery and Accelerated Protein Therapeutics, Center for Infectious Diseases, Houston Methodist Research Institute and Department of Pathology and Genomic Medicine, Houston Methodist Hospital, Houston, TX, USA.
T7 RNA polymerase (RNAP) has enabled orthogonal control of gene expression and recombinant protein production across diverse prokaryotic host chassis organisms for decades. However, the absence of 5' methyl guanosine caps on T7 RNAP-derived transcripts has severely limited its utility and widespread adoption in eukaryotic systems. To address this shortcoming, we evolved a fusion enzyme combining T7 RNAP with the single subunit capping enzyme from African swine fever virus using .
View Article and Find Full Text PDFBibliometric analysis of laryngeal cancer treatment literature (2003-2023).
Heliyon
January 2025
Department of Otolaryngology Head and Neck Surgery, the Second People's Hospital of Shenzhen, the First Affiliated Hospital of Shenzhen University, Shenzhen, Guangdong Province, 518035, China.
Background: Despite advancements in medical science, the 5-year survival rate for laryngeal squamous cell carcinoma remains low, posing significant challenges in clinical management. This study explores the evolution of key topics and trends in laryngeal cancer research. Bibliometric and knowledge graph analysis are utilized to assess contributions in treating this carcinoma and to forecast emerging research hotspots that may enhance future clinical outcomes.
View Article and Find Full Text PDFVitamin D Controversies in the Laboratory Medicine: A Review of Clinical Guidelines and Recommendations.
EJIFCC
December 2024
Clinical Analysis Department, Hospital Infanta Elena, Huelva, Spain.
A narrative review of the main guidelines and recommendations published from 2011 up to date about the status of vitamin D deficiency has been carried out. The objective of this review is to discuss the origin of the controversy about the status of this entity, as well as the evolution of the methodological aspects and clinical situations that require vitamin D screening. The results obtained indicate that the criteria defining vitamin D status, according to two studies published in 2011, the Institute of Medicine (IOM) recommendations and the Endocrine Society (ES) guidelines, regardless the affected population.
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