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 postmortem 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. Coefficients of determination obtained between predicted values and reference ones for Ca, Mg and Sr were 90.4, 97.3 and 97.4, with residual predictive deviation of 3.2, 5.3 and 2.3, respectively, and relative root mean square error of prediction between 10% and 37%. Results obtained evidenced that NIR spectra combined with statistical analysis can help to predict bone mineral profiles suitable to evaluate bone diagenesis

Biomarkers of exposure in urine of active smokers, non-smokers and vapers

The exposure to smoking related products has been evaluated through urine illness risk marker determination through the analysis of urine samples of smokers and vapers. Biomarkers and their metabolites such as N-acetyl-S-(2-cyanoethyl)-L cysteine (CEMA), N-acetyl-S-(3,4-dihydroxybutyl)-L-cysteine (DHBMA), N-acetyl-S-[1-(hydroxymethyl)-2-propen-1-yl)-L cysteine (MHBMA), N-acetyl-S-(3-hydroxypropyl)-L-cysteine (3HPMA), 2R-N-acetyl-S-(4-hydroxybutan-2-yl)-L-cysteine (HMPMA), and N-acetyl-S-(3-carboxy-2-propyl)-L-cysteine (CMEMA) together with nicotine and cotinine were identifed and quantifed by LC-HRMS and LC-MS/MS, and data found normalized to the creatinine level. One hundred two urine samples were collected from smokers, non-smokers, and vapers, spanning an age range from 16 to 79 years. Results obtained showed that CEMA was only detected in urine samples from smokers and MHBMA was in the same order of magnitude in all the urine samples analyzed. HMPMA was found in the urine of vapers at the same order of concentration as in non smokers. 3HPMA in vapers was lower than in the urine of smokers, presenting an intermediate situation between smokers and non-smokers. On the other hand, DHBMA in vapers can reach similar values to those found for smokers, while CMEMA shows concentrations in the urine of vapers higher than in the case of non-smokers and traditional smokers, requiring new research to link this metabolite to the use of electronic cigarettes and possible alternative metabolomic routes. In general, this study seems to verify that traditional smoking practice constitutes a major source of carcinogenic chemicals compared with substitutive practices, although those practices are not free of potential harm.Peer ReviewedPostprint (published version

HPLC determination of oxadiazon in commercial pesticide formulations

A simple, fast and precise high performance liquid chromatographic (HPLC) procedure has been developed for the determination of oxadiazon in emulsifiable concentrated pesticide formulations. 20 µL of diluted sample in acetonitrile were injected in a Kromasil C18 (250 ×am injetados em uma coluna Kromasil C18 4.6 mm, 5 µm) column, using acetonitrile:water (80:20) as mobile phase at 1 mL min-1 flow rate and oxadiazon determined by absorbance measurement at 292 nm. A theoretical limit of detection of 0.02 µg mL-1, a limit of quantification of 0.047 µg mL-1, corresponding to a 0.02 and 0.07% m/v in the original sample, and a relative standard deviation of 0.08% for three replicate analysis of samples containing 25% m/v. Oxadiazon were achieved using the developed procedure. The accuracy of the whole method was evidenced by recovery percentages from 98% to 99% for samples spiked with 0.015 to 0.085 mg oxadiazon as well as by the good comparability between results found by the recommended procedure and by Fourier Transform Infrared (FTIR) spectrophotometry for actual samples of formulated products

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 regression models were built to predict calcium, magnesium and strontium concentration of bone samples from their NIR spectra, being obtained an accurate root mean square error of prediction of 5.2% for calcium. Furthermore a screen methodology, for magnesium and strontium prediction, with a RPD of 0.24 and 1.08 respectively, was developed

Gamificación: El concurso como actividad grupal de enseñanza/aprendizaje

[EN] The present study consist of the use of game mechanics to promote the development of applications and activities to stimulate, in an attractive way but without sacrificing the rigor required, the teaching and learning in the subjects of Chemistry and Analytical Chemistry in Chemistry degree.[ES] Se plantea el desarrollo de actividades y aplicaciones que permitan poner en marcha procesos de gamificación para estimular, de una forma atractiva pero sin renunciar al rigor que se requiere, el proceso de enseñanza/aprendizaje en las asignaturas de Química General y Química Analítica del Grado en QuímicaEsteve Turrillas, F.; Armenta, S.; Cervera, M.; De La Guardia, M.; Pastor, A.; Morales Rubio, Á.; Garrigues, S. (2016). Gamificación: El concurso como actividad grupal de enseñanza/aprendizaje. En In-Red 2016. II Congreso nacional de innovación educativa y docencia en red. Editorial Universitat Politècnica de València. https://doi.org/10.4995/INRED2016.2016.4405OC

Evaluación del efecto de una ley como una intervención social: Comprobación del efecto a largo plazo de una serie temporal interrumpida

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