A rapid and non-destructive ATR-FTIR spectroscopy method supported by chemometrics for discriminating between facial creams and the classification into herbal and non-herbal brands

Sharma, Anjali; Chauhan, Rohini; Kumar, Raj; Mankotia, Priyanka; Verma, Rishabh; Sharma, Vishal

doi:10.1016/j.saa.2021.119803

Cited by 18 publications

(9 citation statements)

References 28 publications

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“…Due to the supervised nature of PLS‐DA, the sample plot can show the discrimination of samples and their classes. The accuracy of classification is ascertained through cross‐validation and by the use of distance metric that gives a minimum error of classification [20–26]. In this study, PLS‐DA was performed using the mixOmics package in R Software [20].…”

Section: Methodsmentioning

confidence: 99%

“…PLS‐DA is used for the discrimination and classification of spectral data [20–26]. PLS‐DA transforms the original spectral variables to latent variables of lesser dimensions than the original data.…”

Section: Methodsmentioning

confidence: 99%

“…F I G U R E 2 PLS-DA sample plot from ATR-FTIR lipstick data for 10 brands. sification is ascertained through cross-validation and by the use of distance metric that gives a minimum error of classification [20][21][22][23][24][25][26].…”

Section: F I G U R Ementioning

confidence: 99%

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Rapid and nondestructive analysis of lipstick on different substrates using ATR‐FTIR spectroscopy and chemometrics

Khei

Verma

Tan

et al. 2023

Journal of Forensic Sciences

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Lipstick can be an important piece of evidence in crimes like murders, rapes, and suicides. Due to its prevalence, it can be an important corroborative evidence in crime reconstruction. The analysis of such evidence can provide an evidentiary link between the suspect, the victim, object, or the crime scene. We report the use of nondestructive ATR‐FTIR spectroscopy combined with chemometrics for the classification of 10 brands of lipsticks with nine samples each. Chemometric method of partial least square‐discriminant analysis (PLS‐DA) has been employed to interpret the data and classify the samples into their respective classes. The PLS‐DA model provides an AUC figure above 0.99 in all brands except one; for which it is slightly less at 0.94. We have also tested the traces of these lipstick samples on different substrates treating them as unknowns in the already trained PLS‐DA model. 100% of the samples on nine substrates viz. a cotton, nylon, plastic, dry tissue, denim (blue jeans), wet tissue, nitrile gloves, white paper, and polyester were correctly attributed to their source brand. In conclusion, the results suggest that ATR‐FTIR combined with the chemometrics is a rapid, nondestructive, and accurate method for the discrimination and source attribution of lipstick. This study has potential for use in actual forensic casework conditions.

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Section: Methodsmentioning

confidence: 99%

Section: Methodsmentioning

confidence: 99%

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Rapid and nondestructive analysis of lipstick on different substrates using ATR‐FTIR spectroscopy and chemometrics

Khei

Verma

Tan

et al. 2023

Journal of Forensic Sciences

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“…Another group utilized ATR-FTIR spectroscopy to differentiate facial creams based on their chemical composition, herbal vs nonherbal. 88 PLS-DA was used to classify the 57 samples (31 nonherbal and 26 herbal) analyzed. During internal validation, the prediction accuracy was 73%, while for external validation, the class prediction was 90%.…”

Section: T H Imentioning

confidence: 99%

“…Additionally, they tested common substrates that foundation is smeared onto (tissue paper and white cotton) and were still able to properly identify the stains. Another group utilized ATR-FTIR spectroscopy to differentiate facial creams based on their chemical composition, herbal vs nonherbal . PLS-DA was used to classify the 57 samples (31 nonherbal and 26 herbal) analyzed.…”

Section: Chemistry: Trace Evidencementioning

confidence: 99%

Innovative Vibrational Spectroscopy Research for Forensic Application

et al. 2023

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Considerations and future perspectives for the vibrational spectroscopic analysis of forensic cosmetic evidence

Bruce,

Arnold,

Sauzier

et al. 2024

WIREs Forensic Science

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Cosmetics such as makeup or other personal products are widely used and easily transferred upon physical contact. As such, they may be used as trace evidence to link people to each other or to places in criminal investigations. To maximize their probative value, it is important to understand the variability among representative market products and the way in which they transfer to, or persist on various surfaces. Additionally, it is required that analysis techniques be non‐destructive, readily available and relatively inexpensive. Raman spectroscopy and attenuated total reflectance—Fourier transform infrared (ATR‐FTIR) are powerful tools for probing the chemistry of trace cosmetics. As well as fitting the criteria above, they offer the capability of studying a wide range of sample types with minimal prior preparation. The complementary information derived from these techniques can help analysts to understand and visualize spectral variability, potentially enabling discrimination between samples. However, the move from academic research toward forensic casework is not without challenges. In this article, we provide a focused exploration of the current state‐of‐the‐art in forensic cosmetic research; providing context for how we may begin to address these challenges to more effectively exploit cosmetic traces for criminal investigation.This article is categorized under: Forensic Chemistry and Trace Evidence > Emerging Technologies and Methods Forensic Chemistry and Trace Evidence > Trace Evidence

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A rapid and non-destructive ATR-FTIR spectroscopy method supported by chemometrics for discriminating between facial creams and the classification into herbal and non-herbal brands

Cited by 18 publications

References 28 publications

Rapid and nondestructive analysis of lipstick on different substrates using ATR‐FTIR spectroscopy and chemometrics

Rapid and nondestructive analysis of lipstick on different substrates using ATR‐FTIR spectroscopy and chemometrics

Innovative Vibrational Spectroscopy Research for Forensic Application

Considerations and future perspectives for the vibrational spectroscopic analysis of forensic cosmetic evidence

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