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Application of monomer structures and fragments of local symmetry for simulation of glass transition temperatures of polymers.
SAR QSAR Environ Res
January 2025
Interdisciplinary Nanotoxicity Center, Department of Chemistry, Physics and Atmospheric Sciences, Jackson State University, Jackson, MS, USA.
A scheme for constructing models of the 'structure-glass transition temperature of a polymer' is proposed. It involves the representation of the molecular structure of a polymer through the architecture of monomer units represented through a simplified molecular input-line entry system (SMILES) and the fragments of local symmetry (FLS). The statistical quality of such models is quite good: the determination coefficient values for active training set, passive training set, calibration set, and validation set are 0.
View Article and Find Full Text PDFHolographic light potentials generated by phase-modulating liquid-crystal spatial light modulators (SLMs) are widely used in quantum technology applications. Accurate calibration of the wavefront and intensity profile of the laser beam at the SLM display is key to the high fidelity of holographic potentials. Here, we present a new calibration technique that is faster than previous methods while maintaining the same level of accuracy.
View Article and Find Full Text PDFDeveloping a clinical prediction model to modify empirical antibiotics for non-typhoidal Salmonella bloodstream infection in children under-five in the Democratic Republic of Congo.
BMC Infect Dis
January 2025
Department of Development and Regeneration, KU Leuven, Louvain, Belgium.
Background: Non-typhoidal Salmonella (NTS) frequently cause bloodstream infection in children under-five in sub-Saharan Africa, particularly in malaria-endemic areas. Due to increasing drug resistance, NTS are often not covered by standard-of-care empirical antibiotics for severe febrile illness. We developed a clinical prediction model to orient the choice of empirical antibiotics (standard-of-care versus alternative antibiotics) for children admitted to hospital in settings with high proportions of drug-resistant NTS.
View Article and Find Full Text PDFExternal validation of the "simplified hospital" scale as a predictor of 30-day readmission after hospitalisation in osi araba medical services.
Rev Clin Esp (Barc)
January 2025
Universidad del País Vasco-Euskal Herriko Unibertsitatea, Unidad Docente de Medicina y Enfermería, Campus de Álava, Vitoria-Gasteiz, Spain; Instituto de Investigación Sanitaria Bioaraba, Vitoria-Gasteiz, Spain; Servicio de Hospitalización a Domicilio, Osakidetza-Servicio Vasco de Salud, País Vasco, Spain. Electronic address:
Background: A readmission is defined as a new admission to hospital for at least one night in the 30 days following a discharge. Some are caused by events unrelated to the reason for the initial admission (unavoidable) and others caused by the same pathology (related). Different predictive models allow the identification of patients at higher risk of readmission.
View Article and Find Full Text PDFMechanical forces are critical for virtually all fundamental biological processes, yet quantification of mechanical forces at the molecular scale remains challenging. Here, we present a new strategy using calibrated coiled-coils as genetically encoded, compact, tunable, and modular mechano-sensors to substantially simplify force measurement , via diverse readouts (luminescence, fluorescence and analytical biochemistry) and instrumentation readily available in biology labs. We demonstrate the broad applicability and ease-of-use of these coiled-coil mechano-sensors by measuring forces during cytokinesis (formin Cdc12) and endocytosis (epsin Ent1) in yeast, force distributions in nematode axons (β-spectrin UNC-70), and forces transmitted to the nucleus (mini-nesprin-2G) and within focal adhesions (vinculin) in mammalian cells.
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