Sensitive detection of quorum signaling molecules (<i>N</i>-acyl homoserine lactones) in activated sludge based on surface molecularly imprinted polymers on CQDs@MIL-101

Fu, Boming; Xing, Yifei; Gong, Changbao; Zhao, Huimin

doi:10.1039/d2ew00059h

Cited by 2 publications

(1 citation statement)

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“…Consequently, the identification process is time-consuming, laborious, and unsuitable for rapid on-site identification. In addition, various new sensor methods, such as the quartz crystal microbalance (QCM) sensor [21], photoluminescence sensor [22], and fluorescent sensor [23], which incorporate specific recognition elements are emerging endlessly. Although these techniques have greatly enriched the means of AHL identification, there remain challenges in meeting practical application needs.…”

Section: Introductionmentioning

confidence: 99%

Comprehensive Similarity Algorithm and Molecular Dynamics Simulation-Assisted Terahertz Spectroscopy for Intelligent Matching Identification of Quorum Signal Molecules (N-Acyl-Homoserine Lactones)

Zhang,

Kong,

et al. 2024

IJMS

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To investigate the mechanism of aquatic pathogens in quorum sensing (QS) and decode the signal transmission of aquatic Gram-negative pathogens, this paper proposes a novel method for the intelligent matching identification of eight quorum signaling molecules (N-acyl-homoserine lactones, AHLs) with similar molecular structures, using terahertz (THz) spectroscopy combined with molecular dynamics simulation and spectral similarity calculation. The THz fingerprint absorption spectral peaks of the eight AHLs were identified, attributed, and resolved using the density functional theory (DFT) for molecular dynamics simulation. To reduce the computational complexity of matching recognition, spectra with high peak matching values with the target were preliminarily selected, based on the peak position features of AHL samples. A comprehensive similarity calculation (CSC) method using a weighted improved Jaccard similarity algorithm (IJS) and discrete Fréchet distance algorithm (DFD) is proposed to calculate the similarity between the selected spectra and the targets, as well as to return the matching result with the highest accuracy. The results show that all AHL molecular types can be correctly identified, and the average quantization accuracy of CSC is 98.48%. This study provides a theoretical and data-supported foundation for the identification of AHLs, based on THz spectroscopy, and offers a new method for the high-throughput and automatic identification of AHLs.

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Section: Introductionmentioning

confidence: 99%

Comprehensive Similarity Algorithm and Molecular Dynamics Simulation-Assisted Terahertz Spectroscopy for Intelligent Matching Identification of Quorum Signal Molecules (N-Acyl-Homoserine Lactones)

Zhang,

Kong,

et al. 2024

IJMS

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Enhanced sensing of bacteria biomarkers by ZnO and graphene oxide decorated PEDOT film

Malachy Udowo,

Unimuke,

Louis

et al. 2024

Journal of Biomolecular Structure and Dynamics

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Sensitive detection of quorum signaling molecules (N-acyl homoserine lactones) in activated sludge based on surface molecularly imprinted polymers on CQDs@MIL-101

Abstract: N-acyl homoserine lactones (AHLs), as typical signaling molecules in quorum sensing systems, play a key role in identifying the performance of activated sludge and microbial activities. Herein, molecularly imprinted polymers...

Cited by 2 publications

References 42 publications

Comprehensive Similarity Algorithm and Molecular Dynamics Simulation-Assisted Terahertz Spectroscopy for Intelligent Matching Identification of Quorum Signal Molecules (N-Acyl-Homoserine Lactones)

Comprehensive Similarity Algorithm and Molecular Dynamics Simulation-Assisted Terahertz Spectroscopy for Intelligent Matching Identification of Quorum Signal Molecules (N-Acyl-Homoserine Lactones)

Enhanced sensing of bacteria biomarkers by ZnO and graphene oxide decorated PEDOT film

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