Microextraction experimental and forcefield theoretical modelling study on exploring a silica-enriched oil palm frond biomass for the determination of polycyclic aromatic hydrocarbons in Psidium guajava

Nur Husna Zainal Abidin, Wan Nazihah Wan Ibrahim, Yanuardi Raharjo, Hamed Rashidi Nodeh, Roswanira Abdul Wahab, Muhamad Kamil Yaakob, Noorfatimah Yahaya, Sazlinda Kamaruzaman, Nursyamsyila Mat Hadzir, Nor Suhaila Mohamad Hanapi

Research output: Contribution to journalArticlepeer-review

Abstract

In this study, a dispersive micro-solid phase extraction (D-µ-SPE) based on oil palm frond-based silica (OPF-SiO2) sorbent was investigated for the determination of four polycyclic aromatic hydrocarbons (PAHs) in Psidium guajava integrated with high-performance liquid chromatography (HPLC-DAD). The physicochemical characterization of the acid-treated and thermally extracted OPF-SiO2 by FTIR showed peaks at 806 cm−1 and 446 cm−1 allotted to siloxane stretching vibrations and siloxane terminating vibrations, while the FESEM spectrum of EDX analysis corroborated the presence of silicon in OPF-SiO2. Likewise, the XRD diffractograms displayed prominent peaks at 2θ = 24°, indicating a predominantly amorphous silica structure. The XRF analysis further corroborated this result, which revealed that silica constituted 78 % of the major elemental composition. The established optimized condition of D-µ-SPE extraction of PAHs required 60 mg of sorbent, an extraction time of 15 min using acetonitrile as the elution solvent, and a 5 min desorption time. The prepared sorbents exhibited a high affinity for PAHs through van der Waals and hydrogen bonding. The D-µ-SPE was linear between 50 and 5000 µg kg−1 for naphthalene, fluorene, anthracene, and pyrene (R2 = 0.9921–––0.9997). The RSDs were acceptable for intraday (0.65–1.52 %, n = 3) and interday (0.60–1.92 %) analyses, coupled with low detection limits (2.33–4.90 µg kg−1) and satisfactory relative recovery (95.05–108.88 %). The experimental results supported the subsequent forcefield theory calculations for the PAHs and the OPF-SiO2 composite's interactions. Analytical GREEnness (AGREE) with a metric score 0.60 indicates that the developed approach is green.

Original languageEnglish
Article number109885
JournalMicrochemical Journal
Volume197
DOIs
Publication statusPublished - Feb 2024

Keywords

  • Dispersive micro solid phase extraction
  • Forcefield theory
  • Green assessment
  • Liquid chromatography
  • Oil palm frond-based silica
  • Polycyclic aromatic hydrocarbons
  • Psidium guajava

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