Enhanced Spectroscopic Fingerprinting and Automated Scoring for Tributyltin (TBT) Residue Analysis in Seawater: A Multi-Modal Analytical Framework

**Abstract:** This paper introduces a novel, automated analytical framework for the detection and quantification of tributyltin (TBT) residues in seawater, addressing key limitations of current methods regarding sensitivity, cost-effectiveness, and analytical throughput. Our approach, termed "HyperScoreSpectroscopy" (HSS), leverages advanced signal processing techniques applied to inductively coupled plasma mass spectrometry (ICP-MS) data, coupled with a machine learning-driven scoring system for accurate residue quantification. HSS reduces analysis time by 2x, improves detection limits by 3x, and offers a standardized, reproducible workflow significantly simplifying TBT monitoring programs. This technology offers a clear pathway to scalable, high-throughput TBT residue analysis, addressing a critical need for environmental monitoring and assessment.

Institutions

Publication Details

Journal
Zenodo (CERN European Organization for Nuclear Research)
Published
2025-08-10
DOI
https://doi.org/10.5281/zenodo.16787221
Primary Topic
Marine Biology and Environmental Chemistry
Type
article
Field-Weighted Citation Impact
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article

Enhanced Spectroscopic Fingerprinting and Automated Scoring for Tributyltin (TBT) Residue Analysis in Seawater: A Multi-Modal Analytical Framework

Zenodo (CERN European Organization for Nuclear Research)
Marine Biology and Environmental Chemistry
article

Enhanced Spectroscopic Fingerprinting and Automated Scoring for Tributyltin (TBT) Residue Analysis in Seawater: A Multi-Modal Analytical Framework

article en

Abstract

**Abstract:** This paper introduces a novel, automated analytical framework for the detection and quantification of tributyltin (TBT) residues in seawater, addressing key limitations of current methods regarding sensitivity, cost-effectiveness, and analytical throughput. Our approach, termed "HyperScoreSpectroscopy" (HSS), leverages advanced signal processing techniques applied to inductively coupled plasma mass spectrometry (ICP-MS) data, coupled with a machine learning-driven scoring system for accurate residue quantification. HSS reduces analysis time by 2x, improves detection limits by 3x, and offers a standardized, reproducible workflow significantly simplifying TBT monitoring programs. This technology offers a clear pathway to scalable, high-throughput TBT residue analysis, addressing a critical need for environmental monitoring and assessment.

Zenodo (CERN European Organization for Nuclear Research)
Freed–Hardeman University (US)
Life below water
Openalex Percentile: Top 48%
Marine Biology and Environmental Chemistry
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