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Comparison of Gap-Segment and Savitzky-Golay Algorithms in Forensic Discrimination of Soils Based on Ultra-Performance Liquid Chromatography Data

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Abstract

Soil discrimination is one of the most critical forensic analyses aiming to establish a link between a suspect and a crime scene or victim. Preliminary studies have indicated that ultra-performance liquid chromatography (UPLC) is useful in acquiring organic profiles of soils. However, the resulting chromatograms are often imperfect but consist of fluctuated baseline and overlapped peaks. Hence, this work aims to compare the performances of two derivative algorithms, i.e., Gap-Segment (GS) and Savitzky–Golay (SG) algorithms, in improving the UPLC chromatograms of soils for forensic investigation purposes. A set of 45 chromatograms was prepared by analyzing 15 Malaysian soil samples in triplicate by using a UPLC-photodiode array detector system. The capability of the two algorithms in discriminating the chromatograms from five geographical origins was studied based on predictive capability of K-nearest neighbor algorithm. Results showed that the GS algorithm slightly outperformed the SG algorithm. In conclusion, lower polynomial and differentiation order are preferred for improving the quality of the UPLC chromatograms of soils. The study provides an understanding of the relative merits between Gap-Segment and Savitzky–Golay algorithms in preprocessing UPLC data.

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ACKNOWLEDGMENTS

The authors are indebted to Ameeta, Anas and Syahiera for preparing the UPLC-PDA data of soils. Mr. Abdul Aziz Ishak was thanked for assisting in running the UPLC-PDA system.

Funding

This study was funded by the CRIM, Universiti Kebangsaan Malaysia (UKM) via the GUP-2020-085.

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Authors and Affiliations

  1. Forensic Science Program, CODTIS, Faculty of Health Sciences, Universiti Kebangsaan, Malaysia, Malaysia

    Yaishnavee A/P Ravi, Nur  Ain Najihah Binti Mohd Rosdi, Nadirah Abd Hamid, Hukil Sino & Loong Chuen Lee

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  1. Yaishnavee A/P Ravi
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  2. Nur  Ain Najihah Binti Mohd Rosdi
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  3. Nadirah Abd Hamid
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  4. Hukil Sino
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  5. Loong Chuen Lee
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Correspondence to Loong Chuen Lee.

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Ravi, Y., Rosdi, N., Hamid, N.A. et al. Comparison of Gap-Segment and Savitzky-Golay Algorithms in Forensic Discrimination of Soils Based on Ultra-Performance Liquid Chromatography Data. J Anal Chem 78, 1398–1405 (2023). https://doi.org/10.1134/S1061934823100143

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  • DOI: https://doi.org/10.1134/S1061934823100143

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