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Machine-Learning-Aided Engineering Hemoglobin as Carbene Transferase for Catalyzing Enantioselective Olefin Cyclopropanation.
JACS Au
December 2024
Key Laboratory of Molecular Enzymology and Engineering of Ministry of Education, School of Life Sciences, Jilin University, Changchun 130023, P. R. China.
In this study, we developed a machine-learning-aided protein design strategy for engineering hemoglobin (VHb) as carbene transferase. A Natural Language Processing (NLP) model was used for the first time to construct an algorithm (EESP, enzyme enantioselectivity score predictor) and predict the enantioselectivity of VHb. We identified critical amino acid residue sites by molecular docking and established a simplified mutation library by site-saturated mutagenesis.
View Article and Find Full Text PDFBayesian semiparametric inference in longitudinal metabolomics data.
Sci Rep
December 2024
Department of Statistical Science, Duke University, Durham, 27708-0251, USA.
The article is motivated by an application to the EarlyBird cohort study aiming to explore how anthropometrics and clinical and metabolic processes are associated with obesity and glucose control during childhood. There is interest in inferring the relationship between dynamically changing and high-dimensional metabolites and a longitudinal response. Important aspects of the analysis include the selection of the important set of metabolites and the accommodation of missing data in both response and covariate values.
View Article and Find Full Text PDFA simplified multidimensional scale approach is effective in predicting mortality in hospitalized older adults and highlights the role of nutrition.
Clin Nutr
December 2024
Department of Medical, Surgical and Health Sciences, University of Trieste, Trieste, Italy; Geriatric Clinic, Maggiore University Hospital, Azienda Sanitaria Universitaria Giuliano Isontina (ASUGI), Trieste, Italy; School of Dietetics, University of Trieste - Pordenone branch, Pordenone, Italy.
Background & Aims: Malnutrition and cognitive impairment are among the major contributors to frailty, that significantly increases the risk of mortality of older hospitalized patients. Multidimensional frailty assessment tools, such as the multidimensional prognostic index-MPI, a tool based on a standard comprehensive geriatric assessment (CGA), have proven valuable for predicting adverse outcomes, including mortality of older adults following acute illness but its application in everyday clinical practice is limited. We hypothesized that removing parameters not closely associated with mortality and sorting the patient population according to the presence or not of cognitive impairment with possible integration of common laboratory markers, could provide a simplified approach that could improve practicability in all settings with at least comparable 1-year mortality predictive value.
View Article and Find Full Text PDFPredicting Bleeding Related Events in Robotic-Assisted Partial Nephrectomy for Angiomyolipoma: Simplifying Risk Assessment with Tumor Diameter and Depth, A Retrospective Study.
Ther Clin Risk Manag
December 2024
Department of Medicine, Chang Gung University, Taoyuan City, Taiwan.
Background: Evaluating risk factors for bleeding events in robot-assisted partial nephrectomy (RAPN) for renal angiomyolipoma (RAML) is essential for improving surgical outcomes.
Methods: We performed a retrospective analysis of patients who underwent RAPN for renal masses between May 2019 and June 2023 at a single medical center, categorizing them into AML and non-AML groups. We assessed demographic data, perioperative complications, and postoperative outcomes.
Descending necrotizing mediastinitis complicating deep neck abscesses: clinical features and prognostic assessment in 45 ICU patients.
Eur Arch Otorhinolaryngol
December 2024
Pulmonology and Thoracic Surgery Service, General Hospital of Mexico "Dr. Eduardo Liceaga", Dr. Balmis 148, Colonia Doctores, 06726, Mexico City, Mexico.
Purpose: To describe the clinical features and identify mortality risk factors in descending necrotizing mediastinitis (DNM) complicating deep neck abscesses (DNA) among patients admitted to the ICU.
Methods: A retrospective analysis was conducted on consecutive patients admitted to the ICU of a tertiary care public hospital. Data were collected from July 2017 to July 2024.
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