Date of Completion

2024

Document Type

Thesis

Degree Name

Bachelor of Science in Biochemistry

Keywords

Mycobacterium tuberculosis, Aggregation-Induced Emission, Petroselinum crispum, molecular docking, detection

Abstract

Tuberculosis (TB) remains one of the deadliest communicable diseases due to delays in diagnosis, which typically takes several weeks. This study explores a novel approach for rapid TB detection using aggregation-induced emission (AIE). Researchers investigated Petroselinum crispum (parsley) extract, which exhibited red light emission at 366 nm with ethyl acetate but lost emission with water, suggesting the presence of a polar AIE-active compound. The compound was isolated using normal phase chromatography and confirmed to emit red light in its solid state. Fluorescence measurements at 405 nm excitation and 540 nm emission showed increased intensity with higher hexane volumes, characteristic of AIE. High-Performance Liquid Chromatography with Photodiode Array detection (HPLC-PDA) revealed a single peak at 0.592 minutes, indicating the primary component's polar nature. Further validation with mass spectrometry and 13C-NMR is recommended for structural elucidation. Proton nuclear magnetic resonance (1H-NMR) spectroscopy and correlation spectroscopy suggested the presence of functional groups consistent with highly conjugated structures like chlorophyll a (Chl a), chlorophyll b (Chl b), and protochlorophyllide. Molecular docking against Mycobacterium tuberculosis biomarker InHA showed that these compounds have high binding affinities, with Chl a exhibiting the lowest binding energy. The study suggests that binding of AIEgens to InHA restricts their movement, enhancing fluorescence and enabling TB detection. Future research should focus on in vitro studies and derivatization of these compounds to improve their interaction and emission properties. The abundance of Chl a, Chl b, and protochlorophyllide in plants offers potential for developing a commercially viable device for early TB detection, mitigating the disease's impact.

First Advisor

Margel C. Bonifacio

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