Rapid determination of benzalkonium chloride in aqueous samples by FTIR spectroscopy in tandem with chemometrics

Asghari, Ahmad; Adl, Alireza; ghajarbeygi, peyman; Darzi, Sina

doi:10.1016/j.infrared.2021.103762

Infrared Physics & Technology

2021

DOI: 10.1016/j.infrared.2021.103762

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Rapid determination of benzalkonium chloride in aqueous samples by FTIR spectroscopy in tandem with chemometrics

Ahmad Asghari

Alireza Adl

peyman ghajarbeygi

et al.

Abstract: The FTIR spectroscopy accompanied by chemometrics methods was carried out for the determination of Benzalkonium chloride in in aqueous samples.A genetic algorithm was used as a robust method for wavelength selection.The SVM-R and PLS-R regression were used as the calibration model.The GA-SVR model represented better static results compared to GA-PLS.

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Cited by 5 publications

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“…Voltametric sensors for BA + analysis based on carbon paste, glassy carbon, gold, and boron-doped diamond electrodes have been reported. [24][25][26][27] Interestingly, potentiometric sensors for the determination of BA + are much less common. In a comparative study, Gaber et al fabricated solid contact (PVCcoated silver wire) and liquid contact ion-selective electrodes (ISEs) and used them determine BA + levels in ophthalmic solutions.…”

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Potentiometric Analysis of Benzalkonium Chloride with 3D Printed Ion-Selective Membranes

Glasco

Bell

2022

ECS Sens. Plus

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Benzalkonium (BA+) chloride is one of the most common preservatives used in prescription-based and over-the-counter eye drops. Knowing the concentration of BA+ in eye drops is important for quality control (at the pharmaceutical preparation stage) and human health (ocular toxicity has been linked to BA+ use). This paper describes the design and fabrication of a benzalkonium-selective potentiometric sensor for the determination of BA+ in ophthalmic solutions. The sensor is composed of a 3D-printed ion-selective membrane (ISM) that selectively measures BA+ in the presence of potentially interfering ions routinely found in ophthalmic formulations (i.e., Mg2+, Ca2+, Na+, and K+). The 3D printed BA+-ion-selective electrodes (ISEs) produced a Nernstian response of 55 mV/Decade across a range of 1.0 mM to 31.0 µM BA+ along with an LOD of 8 µM, which covers the relevant concentration range found in ophthalmic solutions. The 3D printed BA+-ISEs proved to be highly stable with an average drift of 205 µV/hr. Successful measurement of BA+ in diluted ophthalmic solutions was completed from 100 to 500 µM. The mass production capability afforded by 3D-printing offers a unique and intriguing fabrication protocol for developing low-cost sensors which could be incorporated quickly and seamlessly by pharmaceutical companies or community-based pharmacies.

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confidence: 99%

Potentiometric Analysis of Benzalkonium Chloride with 3D Printed Ion-Selective Membranes

Glasco

Bell

2022

ECS Sens. Plus

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Detection of benzalkonium chloride on glass surfaces using silver nanoparticles

Nguyen

Son

et al. 2021

Bulletin Korean Chem Soc

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Raman reporter‐based surface‐enhanced Raman scattering (SERS) has been used to investigate the detection of one member of a class of the cationic surfactant quaternary ammonium compounds, alkyl dimethyl benzyl ammonium chloride, also known as benzalkonium chloride (BAC). For this study, SERS was performed using silver nanoparticles (AgNPs). Density functional theory (DFT) of BAC on Ag6 clusters was introduced to estimate binding at the level of the B3LYP/LANL2DZ basis sets. As the chain length increased from n = 8 to 18, the binding energies were expected to increase by 2.1 kcal/mol. Methylene blue (MB) Raman reporter molecules were subsequently treated on BAC thin‐film‐covered glass surfaces. Atomic force microscopy (AFM) images were used to determine the coverage of BAC on the glass, and field‐emission electron microscope (FE‐SEM) images revealed the surface morphologies of the SERS substrates. A standard calibration curve was prepared to quantify BAC within a concentration range of 0.0036805 to 36 805 ppm (r2 ≥ 0.99), according to the BAC‐correlated SERS intensities of MB Raman peaks at ~1620 cm−1 adsorbed on AgNPs. A molecular dynamics (MD) simulation supported strong adsorption of BAC on glass surfaces.

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New application of ATR-FTIR spectroscopy for postmortem interval estimation based on puparia of the sarcosaprophagous fly Chrysomya megacephala (Diptera: Calliphoridae)

Hao

Wang

et al. 2023

Forensic Chemistry

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Rapid determination of benzalkonium chloride in aqueous samples by FTIR spectroscopy in tandem with chemometrics

Cited by 5 publications

References 36 publications

Potentiometric Analysis of Benzalkonium Chloride with 3D Printed Ion-Selective Membranes

Potentiometric Analysis of Benzalkonium Chloride with 3D Printed Ion-Selective Membranes

Detection of benzalkonium chloride on glass surfaces using silver nanoparticles

New application of ATR-FTIR spectroscopy for postmortem interval estimation based on puparia of the sarcosaprophagous fly Chrysomya megacephala (Diptera: Calliphoridae)

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