Multimodal spectroscopy with chemometrics for the forensic analysis of Western Australian sandy soils

Newland, Talia; Pitts, Kari; Lewis, Simon W.

doi:10.1016/j.forc.2022.100412

Cited by 8 publications

(3 citation statements)

References 35 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…Overall, ATR-FTIR spectroscopy was able to identify organic and inorganic constituents of soil and discriminate based on location due to their different principal components. 132 To determine the organic and inorganic composition of the soil for forensic purposes, Chauhan et al used ATR-FTIR spectroscopy. They claimed that the spectral bands associated with soil samples belonging to close locations had similar chemical characteristics.…”

Section: T H Imentioning

confidence: 99%

“…The spectra showed correlation of the spectral bands of the following minerals and compounds: kaolinite, quartz, gibbsite, vermiculite, goethite, and microcline feldspar. Overall, ATR-FTIR spectroscopy was able to identify organic and inorganic constituents of soil and discriminate based on location due to their different principal components . To determine the organic and inorganic composition of the soil for forensic purposes, Chauhan et al used ATR-FTIR spectroscopy.…”

Section: Chemistry: Trace Evidencementioning

confidence: 99%

See 1 more Smart Citation

Innovative Vibrational Spectroscopy Research for Forensic Application

et al. 2023

View full text Add to dashboard Cite

Section: T H Imentioning

confidence: 99%

Section: Chemistry: Trace Evidencementioning

confidence: 99%

Innovative Vibrational Spectroscopy Research for Forensic Application

et al. 2023

View full text Add to dashboard Cite

“…Together, chemometric and spectroscopic techniques improve our understanding of instrumental data and can be applied in different areas of forensic science [34]. Chemometric studies have been carried out on blood traces [35], urine traces for sex discrimination [36], soils [37], biological traces [38], textile fibers [39], and vehicle bumper fragments [40], among others [41][42][43][44][45]. The combination of chemometric and spectroscopic methods applied to experimental analyses of classic illicit drugs is already being widely used [7,35,37,38,43,46].…”

Section: Introductionmentioning

confidence: 99%

In Silico Infrared Spectroscopy as a Benchmark for Identifying Seized Samples Suspected of Being N-Ethylpentylone

2022

View full text Add to dashboard Cite

New psychoactive substances (NPSs) have concerned authorities worldwide, and monitoring them has become increasingly complex. In addition to the frequent emergence of new chemical structures, the composition of adulterants has changed rapidly. Reliable reference data on NPS are not always available, and identifying them has become an operational problem. In this study, we evaluated the infrared spectral data of 68 seized samples suspected of containing a synthetic cathinone (N-ethylpentylone). We used quantum chemistry tools to simulate infrared spectra as a benchmark and obtained infrared spectra for different cathinones, structurally analogous amphetamines, and possible adulterants. We employed these in silico data to construct different chemometric models and investigated the internal and external validation and classification requirements of the models. We applied the best models to predict the classification of the experimental data, which showed that the seized samples did not have a well-defined profile. Infrared spectra alone did not allow N-ethylpentylone to be distinguished from other substances. This study enabled us to evaluate whether experimental, in silico, and applied statistical techniques help to promote forensic analysis for decision-making. The seized samples required in-depth treatment and evaluation so that they could be correctly analyzed for forensic purposes.

show abstract