This is an initial study using infrared (IR) in silico data as a standard database in preliminary method for new synthetic seized drugs. For this purpose, ten of the most common synthetic illicit seized substances on the Brazilian market were compared and computational chemistry was used as a tool for theoretical standard database. Infrared data from standard electronic library, experimental data from seized samples and data simulated by Density Functional Theory (DFT) were evaluated. The feasibility of the method was based on the degree of correlation of evaluated data. The results suggest that the computational methodology can be a viable way to analyze the structures of new synthetic drugs and obtain preliminary infrared profiles. Correlations data indicated a presumptive identification of the analyzed samples and it was also possible to observe a preliminary identification of drugs in five classes. However, it was observed that some synthetic cathinones and phenylethylamines were confused with amphetamines. Therefore, new studies must be developed to optimize the use of these data, because the simulated IR spectra can be advantageous to evaluate the profile of possible substances that may be synthesized in the future. (IR purpose library DFT (DFT profiles classes However amphetamines Therefore future

Criminal minds create new psychoactive substances (NPS) to dribble the Drug Regulatory System. Early Warning Systems (EWA) were instituted worldwide to combat this practice. Brazilian government has started establishing EWA at a national level since August 2021. The role of drug analysis laboratories in EWA is very important and experts working at forensic laboratories are in the main position to detect NPS and any changes in the molecular structures. However, for this practice, it is necessary to use reliable analyses techniques for unequivocal identification. The goal of this work is to use single-crystal X-ray diffraction (XRD) to detect the presence of NPS and elucidate its molecular structure using single crystals from a seized blotter paper. XRD is also useful to prepare reference substances to produce entries to be included in Fourier transformed infrared spectroscopy (FTIR) and mass spectrometry databases, which are some of the most relevant routine techniques in forensic laboratories. This approach was used to study the NPS 25R-NBOH and 25I-NBOMe using XRD, FTIR, Raman, and nuclear magnetic resonance spectroscopies. The results showed that molecular structure methods must be used to elucidate NPS in an unambiguous manner and the potential of XRD use in the forensic area as a reference method.

Micelles have aroused interest due to their ability to assist in the transport of poorly soluble drugs. In this study the mixture of copolymers F127/E45S8 in different proportions (F/ES 30/70, 50/50 and 70/30) was performed to improve the bioavailability of griseofulvin and quercetin. The results of cytotoxicity (MTT assay) revealed that the copolymers F127 and E45S8 had considerable biocompatibility and did not affect the metabolism of human neutrophils. The binary systems were also evaluated by critical micellar concentration (CMC) and thermoresponsive behavior. The CMC values were intermediate to those of the isolated copolymers. The systems maintained the thermoresponsive properties present in F127 making the systems interesting for subcutaneous administration. The systems presented small size, an average range in size from 17 to 38 nm, and the samples prepared with higher hydrophobic proportion presented more uniform sizes. Results suggest stability and the increasing of the nanosystems circulation time. The F/ES 30/70 system has polydispersity smaller than 0.1 and showed an increase of 129 times for quercetin solubility. Thus, it is possible to consider F127/E45S8 micelles as potential nanosystems for poorly soluble drug delivery.