Background: Thyroidectomy may be performed for clinical indications that include malignancy, benign nodules or cysts suspicious findings on fine needle aspiration (FNA) biopsy, dyspnea from airway compression or dysphagia from cervical esophageal compression, etc. The incidences of vocal cord palsy (VCP) caused by thyroid surgery were reported to range from 3.4% to 7.2% and 0.2% to 0.9% for temporary and permanent vocal fold palsy respectively which is a serious complication of thyroidectomy that is worrisome for patients.
Objective: Therefore, it is aimed to determine the patients who have the risk of developing vocal cord palsy before thyroidectomy by using machine learning methods in the study. In this way, the possibility of developing palsy can be reduced by applying appropriate surgical techniques to individuals in the high-risk group.
Method: For this aim, 1039 patients with thyroidectomy, between the years 2015 and 2018, have been used from Karadeniz Technical University Medical Faculty Farabi Hospital at the department of general surgery. The clinical risk prediction model was developed using the proposed sampling and random forest classification method on the dataset.
Conclusion: As a result, a novel quite a satisfactory prediction model with 100% accuracy was developed for VCP before thyroidectomy. Using this clinical risk prediction model, physicians can be helped to identify patients at high risk of developing post-operative palsy before the operation.
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http://dx.doi.org/10.1016/j.cmpb.2023.107563 | DOI Listing |
JACS Au
December 2024
SUNCAT Center for Interface Science and Catalysis, SLAC National Accelerator Laboratory, 2575 Sand Hill Road, Menlo Park, California 94025, United States.
Establishing energy correlations among different metals can accelerate the discovery of efficient and cost-effective catalysts for complex reactions. Using a recently introduced coordination-based model, we can predict site-specific metal binding energies (Δ ) that can be used as a descriptor for chemical reactions. In this study, we have examined a range of metals including Ag, Au, Co, Cu, Ir, Ni, Os, Pd, Pt, Rh, and Ru and found linear correlations between predicted Δ and adsorption energies of CH and O (Δ and Δ ) at various coordination environments for all the considered metals.
View Article and Find Full Text PDFJACS Au
December 2024
Freie Universität Berlin, Physics Department, Experimental Molecular Biophysics, Arnimallee 14, 14195 Berlin, Germany.
Vibrational Stark effect (VSE) spectroscopy has become one of the most important experimental approaches to determine the strength of noncovalent, electrostatic interactions in chemistry and biology and to quantify their influence on structure and reactivity. Nitriles (C≡N) have been widely used as VSE probes, but their application has been complicated by an anomalous hydrogen bond (HB) blueshift which is not encompassed within the VSE framework. We present an empirical model describing the anomalous HB blueshift in terms of H-bonding geometry, i.
View Article and Find Full Text PDFJACS Au
December 2024
Department of Chemical and Biomolecular Engineering, Lehigh University, Bethlehem, Pennsylvania 18015, United States.
Understanding the origin and effect of the confinement of molecules and transition states within the micropores of a zeolite can enable targeted design of such materials for catalysis, gas storage, and membrane-based separations. Linear correlations of the thermodynamic parameters of molecular adsorption in zeolites have been proposed; however, their generalizability across diverse molecular classes and zeolite structures has not been established. Here, using molecular simulations of >3500 combinations of adsorbates and zeolites, we show that linear trends hold in many cases; however, they collapse for highly confined systems.
View Article and Find Full Text PDFJACS 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 PDFJ Inflamm Res
December 2024
Department of Gynecology, The First Affiliated Hospital of Chongqing Medical University, Chongqing, 400016, People's Republic of China.
Background: Surgery is the best approach to treat endometrial cancer (EC); however, there is currently a deficiency in effective scoring systems for predicting EC recurrence post-surgical resection. This study aims to develop a clinicopathological-inflammatory parameters-based nomogram to accurately predict the postoperative recurrence-free survival (RFS) rate of EC patients.
Methods: A training set containing 1068 patients and an independent validation set consisting of 537 patients were employed in this retrospective study.
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