Burned bones forensic investigations employing near infrared spectroscopy
The use of near infrared (NIR) spectroscopy was evaluated, by using chemometric tools, for the study of the environmental impact on burned bones. Spectra of internal and external parts of burned bones, together with sediment samples, were treated by Principal Component Analysis and cluster classification as exploratory techniques to select burned bone samples, less affected by environmental processes, to properly carry out forensic studies. Partial Least Square Discriminant Analysis was used to build a model to classify bone samples based on their burning conditions, providing an efficient and accurate method to discern calcined and carbonized bone. Additionally, Partial Least Square regres…
Determination of fatty acids and lipid classes in salmon oil by near infrared spectroscopy
International audience; Near-infrared (NIR) spectroscopy was evaluated as a rapid method for the determination of oleic, palmitic, linoleic and linolenic acids as well as omega-3, omega-6, and to predict polyunsaturated, monounsaturated and saturated fatty acids, together with triacylglycerides, diglycerides, free fatty acids and ergosterol in salmon oil. To do it, Partial Least Squares (PLS) regression models were applied to correlate NIR spectra with aforementioned fatty acids and lipid classes. Results obtained were validated in front of reference procedures based on high performance thin layer and gas chromatography. PLS-NIR has a good predictive capability with relative root mean squar…
Prediction of alkaline earth elements in bone remains by near infrared spectroscopy.
An innovative methodological approach has been developed for the prediction of the mineral element composition of bone remains. It is based on the use of Fourier Transform Near Infrared (FT-NIR) diffuse reflectance measurements. The method permits a fast, cheap and green analytical way, to understand post-mortem degradation of bones caused by the environment conditions on different skeletal parts and to select the best preserved bone samples. Samples, from the Late Roman Necropolis of Virgen de la Misericordia street and En Gil street located in Valencia (Spain), were employed to test the proposed approach being determined calcium, magnesium and strontium in bone remains and sediments. Coef…
Variable selection for the determination of total polar materials in fried oils by near infrared spectroscopy
Total polar materials (TPM) content is considered as the best indicator and the most common parameter to check the quality of deep-frying oils. The development of simpler and quicker analytical techniques than the available methods to monitor oil quality in restaurants and fried food outlets is an important topic related to the human health. This paper reports a comparison of the variable selection of near infrared (NIR) spectra by multiple linear regression (MLR-NIR) with partial least squares (PLS-NIR) models for the quantification of TPM in fried vegetable oils. The use of PLS-NIR offers an alternative in laboratory bench equipment for the determination of TPM in oils employed for fryin…
Comparison of near and mid infrared spectroscopy as green analytical tools for the determination of total polar materials in fried oils
Abstract Total polar materials (TPM) are used as an indicator of the quality in the frying oil because of high values may be harmful for human health. Spanish legislation establishes the maximum level of total polar materials for frying fats and oils for human consumption around 25% (w/w). Official methods to monitor oil quality are time consuming and use a lot of chemicals; therefore it is necessary a simple and quick analytical technique to evaluate fried oils. Transmittance near-infrared (NIR) and attenuated total reflection mid-infrared (ATR-MIR) spectroscopy measurements, combined with partial least squares (PLS) regression, offer alternatives to determine TPM in fried oils with relati…