Chemometrics in forensic science: approaches and applications

Sauzier, Georgina; Bronswijk, Wilhelm van; Lewis, Simon W.

doi:10.1039/d1an00082a

Cited by 66 publications

(35 citation statements)

References 354 publications

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“…[ 11,15 ] Hence, the PCs are calculated independently (i.e., uncorrelated variables) and account for the largest possible variance in the original dataset in a decreasing manner (i.e., PC 1 describes a greater variance than PC 2 and so on for successive PCs). [ 11,15 ]…”

Section: Methodsmentioning

confidence: 99%

“…Mathematically, the original dataset ( X ) is separated into distinct score ( T ), loading ( P ), and residual ( E ) matrices, according to the subsequent equation [ 15 ] :

bold-italicX goodbreak= bold-italicT P^{'} goodbreak+ bold-italicE .

…”

Section: Methodsmentioning

confidence: 99%

“…Many advantages, including extraction of relevant information by reducing dimensionality of datasets, easier and objective interpretation of pertinent data, and facilitation of automation of data treatment processes, testify to this fact. [ 11–15 ]…”

Section: Introductionmentioning

confidence: 99%

See 2 more Smart Citations

Hyperspectral Raman imaging and multivariate statistical analysis for the reconstruction of obliterated serial numbers in polymers

Skokan

Ruediger

Muehlethaler

2022

J Raman Spectroscopy

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As recent years have shown an increasing use of polymers for the fabrication of firearms, it is necessary to develop techniques for the reconstruction of obliterated serial numbers that are stamped in these materials. Hyperspectral Raman imaging has proven to be a suitable technique for this purpose, as it is sensitive to residual strain. The extraction of relevant information however requires an advanced two-step fitting procedure (i.e., the identification of strain-sensitive peaks followed by the fitting itself) that may be somewhat time consuming. In this study, principal component analysis (PCA), an exploratory method of the Raman data, is proposed to overcome this deficit. The results show that PCA offers better visual contrast in comparison to the previously reported mathematical modeling technique, as it is able to highlight pertinent variance in the original dataset, for multiple polymers, such as polycarbonate, polyethylene, nylon, and nylatron. Results obtained by limiting acquisition

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Section: Methodsmentioning

confidence: 99%

“…Mathematically, the original dataset ( X ) is separated into distinct score ( T ), loading ( P ), and residual ( E ) matrices, according to the subsequent equation [ 15 ] :

bold-italicX goodbreak= bold-italicT P^{'} goodbreak+ bold-italicE .

…”

Section: Methodsmentioning

confidence: 99%

See 1 more Smart Citation

Hyperspectral Raman imaging and multivariate statistical analysis for the reconstruction of obliterated serial numbers in polymers

Skokan

Ruediger

Muehlethaler

2022

J Raman Spectroscopy

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show abstract

“…PCA is an unsupervised pattern recognition technique, which detects patterns and trends in datasets without any prior labels or outcomes and helps in understanding the structure of the data [29]. It reduces the dimensionality in large datasets consisting of co‐related variables by transforming them into few significant variables or coordinates called the principal components (PCs) while retaining the information in the dataset [30,31].…”

Section: Methodsmentioning

confidence: 99%

Discrimination of electrical tapes using ATR‐FTIR spectroscopy and chemometrics

Nimi

Chophi

Singh

2022

Journal of Forensic Sciences

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Electrical tapes are recovered during criminal investigations as physical evidence in cases of rape, kidnapping, and explosion incidents. The analysis of such evidence can provide an evidentiary link between the suspect, the victim, object, or the crime scene. In the present study, 25 brands of electrical tapes have been analyzed using ATR‐FTIR (attenuated total reflectance Fourier transform infrared) spectroscopy. Samples (1 cm2) were analyzed in the mid IR (Infrared) region from 4000–600 cm−1, and the functional groups of various components have been profiled. Chemometric methods‐PCA (principal component analysis) and PCA‐LDA (linear discriminant analysis) have been employed to interpret the data and classify the samples into its respective classes. Preliminary assessment of sample clustering due to similar chemical composition was visualized using PCA. PCA‐LDA applied for classification purpose yielded classification accuracy (calibration) of 92.98% for the adhesive side and 88% for the backing side. The validation results showed classification accuracy of 89.47% for the adhesive side and 84% for the backing side. Blind validation study was carried out using 5 samples, and classification accuracy of 100% and 80% was obtained for the adhesive and the backing side, respectively. In the current study, a preliminary substrate study was carried out, and the results showed that the backing samples could be more accurately matched to their correct source of origin than the adhesive side.

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“…Die Chemometrik wird damit zu einem unentbehrlichen Werkzeug in Disziplinen, mit denen sie bislang eher wenige Berührungen hatte, beispielsweise in der Forensik. 79) Wer angesichts der Entwicklungen sein Wissen über Chemometrik auffrischen und vertiefen möchte, dem sei ein kürzlich erschienenes Review empfohlen. 80) Eine auf das Jahr 2021 rückblickenden Trendanalyse der Chemometrik kommt an einem Punkt nicht vorbei: Die Pandemie hat uns gelehrt, wie wichtig eine wissenschaftlich fundierte Analyse und Interpretation von Messwerten ist.…”

Section: Größere Datenmengen Neue Anwendungsfelderunclassified

Trendbericht Analytische Chemie 2022

Simon¹,

Gehrenkemper²,

Au³

et al. 2022

Nachr Chem

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Über neue Techniken in der Elementanalytik, neue Isotope für die Spurensuche in der forensischen Umweltanalytik und in der Archäometrie, Miniaturisierung in Chromatographie und Elektroanalytik, Biosensoren für die Point‐of‐Care‐Diagnostik, spektroskopische Methoden in der Prozessanalytik, Digitalisierung und Analyse von Kunststoffen in der chemischen Industrie, neue Methoden in der Chemometrie sowie über Strukturanalyse mit Elektronen und Quantenkristallographie.

show abstract

Chemometrics in forensic science: approaches and applications

Abstract: Forensic investigations are often reliant on physical evidence to reconstruct events surrounding a crime. However, there remains a need for more objective approaches to evidential interpretation, along with rigorously validated...

Cited by 66 publications

References 354 publications

Hyperspectral Raman imaging and multivariate statistical analysis for the reconstruction of obliterated serial numbers in polymers

Hyperspectral Raman imaging and multivariate statistical analysis for the reconstruction of obliterated serial numbers in polymers

Discrimination of electrical tapes using ATR‐FTIR spectroscopy and chemometrics

Trendbericht Analytische Chemie 2022

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