Hair can provide chemical information about drug use. This study employed matrix-assisted laser desorption ionization mass spectrometry (MALDI-MS) to detect drugs in hair samples. The technique was used to detect cocaine (COC, molecular weight (Mw) = 303.14 Da) and its main metabolites, benzoylecgonine (BZE, Mw = 289.13 Da), cocaethylene (COCE, Mw = 317.16 Da) and ecgonine methyl ester (EME, Mw = 199.12 Da) in hair strands using 2,5-dihydroxybenzoic acid (DHB, 7.0 mg mL-1) and α-cyano-4-hydroxycinnamic acid (CHCA, at concentrations of 1.5, 3.0, 7.0, and 10 mg mL-1) as the evaluated matrices. Among these, CHCA was selected. Subsequently, the qualitative results obtained by MALDI(+) MS were correlated with the quantitative analyses of gas chromatography-mass spectrometry (GC-MS), demonstrating a significant correlation in responses (70%), with the detection of analytes by MALDI(+) MS even at low concentrations, determined by GC-MS. The concentration ranges obtained by GC MS analysis were from 0.6 to 4.1 ng mg-1 of COC, and from 0.05 to 0.4 ng mg-1 of COCE. The effect of pre-washing on the detection of COC and its metabolites was also evaluated, and the results indicated less influence from the pre-washing stage and confirmed the reduction in COC detection in hair exposed to bleaching. use matrixassisted matrix assisted MALDIMS MALDI (MALDI-MS samples (COC (Mw 30314 303 14 303.1 Da BZE, BZE (BZE 28913 289 13 289.1 Da, , COCE, COCE (COCE 31716 317 16 317.1 EME, EME (EME 19912 199 12 199.1 2,5dihydroxybenzoic 25dihydroxybenzoic dihydroxybenzoic 2,5 2 5 DHB, DHB (DHB 70 7 0 7. mL1 mL 1 mL-1 αcyano4hydroxycinnamic αcyanohydroxycinnamic α cyano 4 hydroxycinnamic CHCA, (CHCA 15 1.5 30 3 3.0 matrices these selected Subsequently MALDI+ + MALDI(+ chromatographymass chromatography GCMS, GCMS (GC-MS) 70%, 70% (70%) GCMS. MS. GC-MS 06 6 0. 41 4. mg1 mg- 005 05 0.0 04 prewashing pre washing bleaching 3031 303. 2891 28 289. 3171 31 317. 1991 19 199. 5dihydroxybenzoic 25 2, mL- αcyano 1. 3. MALDI( (GC-MS (70% 00 (70 (7 (

In the criminal sphere, it is extremely important to identify perpetrators of crimes based on latent fingerprints (invisible to the naked eye) revealed at crime scenes and their corresponding objects. The present work aimed to evaluate four synthetic analogues of curcumin as possible IDL developers, and to compare their results with those of carbon black developer, as well as to reach the most adequate parameters in the use of the LTQ and FT-ICR mass spectrometers with the paper spray ionization (PS) source to study the chemical composition of the endogenous substances contained in the IDL. For this, a 24-1 factorial design was developed, where it was verified that the distance and voltage factors were the most influential for the increase in the response of signals, in the analysis of latent fingerprints by PS. Among the detected substances we can mention around 20 fatty acids, and squalene. Finally, four potential developers, synthetic analogues of curcumin, were compared with carbon black developer. The revelation of latent fingerprints occurred efficiently, allowing the visualization of minutiae, such as bifurcation and end of line, making it possible to classify them, according to the Vucetich Fingerprint Classification System. sphere invisible eye objects developers developer FTICR FT ICR PS (PS this 241 24 1 24- developed signals 2 acids squalene Finally efficiently minutiae line them System

Pineapple, important in Brazilian fruit growing and highly consumed worldwide, can be affected by fusariosis, a disease caused by Fusarium guttiforme, which compromises the quality of the fruit and produces a mycotoxin called beauvericin (BEA), which is harmful to the health of consumers. The importance of detecting BEA and establishing maximum permitted limits is urgent, as there are few studies on this mycotoxin and there is still no regulation in world legislation. In this work, methodologies were used to detect BEA using HPLC-DAD and MALDI-FT-ICR MS. The results of HPLC-DAD allowed the detection of BEA in the tissues of the samples with F. guttiforme, evidenced by chromatographic peaks in the retention time, 6.1 min, similar to the standard, however, in the samples of visibly healthy tissue the mycotoxin was not detected. With MALDI-FT-ICR MS, BEA was detected with mass errors of less than 1 ppm in all samples (tissues infected with F. guttiforme and in healthy tissues), showing that, in addition to the greater sensitivity of the method, there is the possibility of mycotoxin diffusion in the healthy tissues of fruits inoculated with F. guttiforme, when these tissues are also contaminated. Pineapple worldwide fusariosis BEA, , (BEA) consumers urgent legislation work HPLCDAD HPLC DAD MALDIFTICR MALDI FT ICR MS F time 61 6 6. min standard however tissues, tissues) that method contaminated (BEA

Among stimulant drugs, cocaine deserves attention due to its high rates of seizures worldwide. This work presents the synthesis and characterization of hybrid molecularly imprinted polymers (MIPs) for use in preparing biological samples using a homemade microextraction in a packed sorbent device to extract cocaine. The MIPs synthesized using caffeine and cocaine as templates have been compared. Caffeine was used due to its low value and be easier to obtain than cocaine. Additionally, restricted access molecularly imprinted polymers (RAMIPs) were also produced for comparison purposes. The polymeric materials were characterized using scanning electron microscopy, textural analysis, Fourier transform infrared spectroscopy, and cross polarization/ magic angle spinning 13C nuclear magnetic resonance. The method optimization was performed using linear ion trap mass spectrometer to evaluate the effects of sample pH, type of eluent, washing solvent, adsorption cycles, and eluent volume. In the optimized method, RAMIPs indicated better cocaine extraction compared to MIPs. The quantitative study demonstrated that the developed method was able to accurately quantify cocaine in urine samples with values close to actual concentrations. drugs worldwide (MIPs Additionally (RAMIPs purposes microscopy analysis spectroscopy polarization C resonance pH solvent cycles volume concentrations

Multi-drug-resistant bacteria (MDR) are the cause of different infections and diseases that have affected humanity for a long time, and have been an emerging global health problem that has led to increased morbidity and mortality. The growing emergence of MDR bacteria has underlined the need for development and discovery of new antibacterial compounds. In this context, a series of new paeonol 1,2,3-triazole and ether derivatives were synthesized using copper(I)-catalyzed azide-alkyne cycloaddition (CuAAC) reaction and nucleophilic substitution. Paeonol has been a natural product widely studied due to its many biological activities, as well as its derivatives. Three ether derivatives (two unpublished) and ten triazole derivatives (six unpublished) of paeonol were obtained, which were determined by nuclear magnetic resonance (NMR), Fourier transform infrared spectrometry (FTIR), Fourier-transform ion cyclotron resonance mass spectrometry (FT-ICR MS) and six of them by X-rays, which is the first study of this type presented for these compounds. All the synthesized compounds were evaluated as antibacterial agents against Staphylococcus aureus and Escherichia coli, obtaining a minimum inhibitory concentration (MIC) above 100 µg mL-1. The results showed that CuAAC and nucleophilic substitution were very useful to obtain new paeonol triazole and ether derivatives and the products were obtained in yields from 21.3 to 98.5%. The advantages of these reactions (high yield in most compounds, reaction time, low impurities) show that using the method to produce new derivatives is advisable thus assisting in the discovery of new potential bioactive compounds. Multidrugresistant Multi drug resistant (MDR time mortality context 1,2,3triazole 123triazole 1,2,3 1 2 3 copperIcatalyzed copper I catalyzed azidealkyne azide alkyne (CuAAC activities two unpublished NMR, NMR , (NMR) FTIR, FTIR (FTIR) Fouriertransform FTICR FT ICR MS Xrays, Xrays X rays, rays X-rays coli MIC (MIC 10 mL1. mL1 mL 1. mL-1 213 21 21. 985 98 5 98.5% high impurities 3triazole 123 1,2, (NMR (FTIR mL- 9 98.5 12 1,2 98. 1,

The Cannabis sativa L. plant has a complex chemical composition, containing various chemical compounds such as terpenes, sugars, hydrocarbons, steroids, flavonoids, and amino acids. Few works have attempted to identify the constitutional isomers of cannabinoids that are found in the plant. The present study reported the analysis of seven cannabinoid standards: five neutral and two acidic, as well as Cannabis products (hashish and marijuana) and parts of the Cannabis plant (flower and leaf) using mono-dimensional gas chromatography coupled with mass spectrometry (GC-MS) and two-dimensional gas chromatography coupled with quadrupole MS (GC × GC-QMS), ultra performance liquid chromatography coupled with electrospray ionization-quadrupole-time of flight (UPLC-ESI-QTOF)-MS and UPLC-ESI-travelling wave ion mobility (TWIM)-MS. The results of GC-MS demonstrated close retention times (∆tR = 1.303 min) in separation of the five cannabinoid standards, whereas GC × GC-QMS provided a substantially better identification and distinction of constitutional isomers of cannabinoids, where a total of 11 cannabinoids were identified in the hashish sample. UPLC-QTOF-MS and UPLC-TWIM-MS data obtained complete chemical information, in which ESI(+) revealed the presence of seven constitutional isomers of ∆9-tetrahydrocannabinol (∆9-THC), whereas ESI(-) proved the presence of four isomers of ∆9-tetrahydrocannabinolic acid A (∆9-THCA A).