Combining Deep Learning and Structural Modeling to Identify Potential Acetylcholinesterase Inhibitors from Hericium erinaceus

Abstract

In this study, we introduce a new nondestructive measurement technique based on a thermal approach for the determination of substandard amoxicillin. The quality control of amoxicillin is critical for patient safety, and one of the essential parameters for its evaluation is the content of the active ingredient. Traditional methods for assessing amoxicillin content are defined by their time-consuming nature, reliance on skilled personnel, and frequent necessity for specific reagents. The proposed device aims to provide a rapid and low-cost alternative that can accurately measure the amoxicillin content without damaging the sample. The method validation results indicate coefficient of determination (R2) exceeding 0.99, with percent recoveries falling within the range of 98.70-103.40%. The calculated values for limit of detection and limit of quantitation were determined to be 28.11 and 85.17 mg/L, respectively. Our experiments employed amoxicillin samples with predetermined concentrations, all of which were below the standard quality. It was observed that the proposed analytical device effectively quantifies the amoxicillin content in aqueous solutions. Each measurement took no more than 10 min, underscoring the efficiency of the analysis process. The experiments were validated through independent testing at the Government Pharmaceutical Organization in Thailand and the department of engineering science in Oxford, which provides strong evidence for the effectiveness and robustness of the technique. Overall, this study demonstrates the feasibility of using a thermal approach for the nondestructive measurement of substandard amoxicillin. ? 2024 The Authors. Published by American Chemical Society.