Acrylamide-Based Molecularly Imprinted Polymers for 3-Hydroxybutyrate in Diabetic Ketoacidosis: Synthesis, Characterization, and Multiple Docking Analysis of Urinary Interfering Compounds
نویسندگان
1 Department of Pharmacochemistry, Faculty of Pharmacy, Universitas Bhakti Kencana, Bandung, Indonesia
2 Department of Pharmacochemistry, Faculty of Pharmacy, Universitas Bhakti Kencana, Bandung, Indonesia
3 Department of Pharmacochemistry, Faculty of Pharmacy, Universitas Bhakti Kencana, Bandung, Indonesia
4 Department of Pharmacology and Clinical Pharmacy, Universitas Bhakti Kencana, Bandung, Indonesia
5 Department of Pharmacology and Clinical Pharmacy, Faculty of Pharmacy, Universitas Padjadjaran, Jatinangor, Indonesia
6 Department of Pharmacy, Faculty of Sports and Health Sciences, Universitas Negeri Gorontalo, Gorontalo, Indonesia
7 Chemical Engineering Department, Faculty of Engineering, Universitas Syiah Kuala, Banda Aceh, Indonesia
doi
10.48309/chemm.2026.569120.2075چکیده
Accurate detection of 3-hydroxybutyrate (3HB) in urine is critical for early diagnosis and management of diabetic ketoacidosis (DKA). Conventional methods often suffer from limited selectivity and sensitivity, particularly in the presence of urinary metabolites such as glucose, urea, and acetoacetate AA, which can interfere with 3HB measurement. Despite the potential of molecularly imprinted polymers (MIPs) for selective recognition, few studies have addressed the design of MIPs specifically targeting 3HB. This study aimed to develop acrylamide-based MIPs for selective 3HB recognition and to assess their adsorption behavior, selectivity, and interaction with common urinary interfering compounds. Non-imprinted polymers (NIPs) were synthesized as controls to evaluate non-specific binding. The polymers were prepared using two initiators, AIBN and benzoyl peroxide, with varying template-to-monomer ratios, and their physicochemical characteristics were analyzed using FTIR, particle sizing, and adsorption studies. Molecular docking simulations were conducted using AutoDock Vina to investigate the interactions between 3HB, interfering compounds, and the polymer matrix at the molecular level. Adsorption studies demonstrated that MIPs exhibited markedly higher binding capacities and selectivity compared with NIPs. While AIBN-initiated MIPs exhibited moderate adsorption capacities (Qmax = 12.49–19.98 mg/g), benzoyl peroxide–initiated MIPs demonstrated superior performance, with MIP04 achieving the highest adsorption capacity (39.27 mg/g) and imprinting factor (IF) (5.62). In conclusion, MIP04 exhibited the highest imprinting efficiency and selectivity, demonstrating strong binding toward 3HB even in the presence of potential urinary interferents.