Latent fingerprint is an important crime scene evidence, but it is not always recoverable or technically suitable for analysis with fingerprint patterns. Forensic science has shown that other information can be explored from traces using chemical compounds. Infrared spectroscopy is a nondestructive technique that is widely applied to a variety of forensic evidence. In this work, infrared spectroscopy and partial least square discriminant analysis were used to determine the human sex based on latent fingermark analysis. Fingerprint samples were taken from 42 male and female donors, then kept in either dark or light storage conditions, and the Fourier transform infrared (FTIR) spectra were measured considering a period of up to 30 days from collection. The regions from 3000 to 2800 cm-1 and 1790 to 1150 cm-1 presented the greatest differences in the peak intensities among the two sex groups. The results showed a correct discrimination rate higher than 80%.

Medicines containing anabolic steroids are one of the main targets for counterfeiting worldwide, including Brazil. The aim of this work was to propose a method for discriminating original and counterfeit Durateston® ampoules by Fourier transform infrared spectroscopy (FTIR) followed by chemometric analysis. Ninety-six ampoules of Durateston®, 49 originals and 47 counterfeits, were analyzed by gas chromatography with mass spectrometry (GC-MS) and by FTIR. Principal component analysis was applied to the infrared spectra to detected different clusters, corresponding to original samples and different types of counterfeits. A partial least squares - discriminant analysis method was proposed to discriminate original samples from those counterfeits that were indistinguishable from the originals in the infrared analysis. A training subset comprised of one-third of the available spectra was used to establish a suitable model that correctly discriminated all samples in the test subset, resulting in 0% of false positive or negative results and 100% of efficiency rate, sensitivity and specificity. In addition to the low cost of the infrared technique, the proposed method is fast, reliable and suitable to replace GC-MS methods used in Durateston® ampoule analyses to detect counterfeiting.

The application of analytical procedures based on multivariate calibration models has been limited in several areas due to requirements of validation and certification of the model. Procedures for validation are presented based on the determination of figures of merit, such as precision (mean, repeatability, intermediate), accuracy, sensitivity, analytical sensitivity, selectivity, signal-to-noise ratio and confidence intervals for PLS models. An example is discussed of a model for polymorphic purity control of carbamazepine by NIR diffuse reflectance spectroscopy. The results show that multivariate calibration models can be validated to fulfill the requirements imposed by industry and standardization agencies.