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Chromium and potassium-doped iron oxides are widely used as industrial catalysts in the dehydrogenation of ethylbenzene to produce styrene. They have several advantages but deactivate with time, because of the loss of potassium. Also, they are toxic due to chromium compounds. Therefore there is a need for developing alternative non toxic catalysts without potassium. Then, iron and aluminum compounds were prepared by different methods in this work. Different phases were produced depending on the preparation method. Aluminum-doped hematite was more active and selective to styrene than the aluminum ferrite. Aluminum acts both as textural and structural promoter in the catalysts.

Abstract Background The shotgun strategy (liquid chromatography coupled with tandem mass spectrometry) is widely applied for identification of proteins in complex mixtures. This method gives rise to thousands of spectra in a single run, which are interpreted by computational tools. Such tools normally use a protein database from which peptide sequences are extracted for matching with experimentally derived mass spectral data. After the database search, the correctness of obtained peptide-spectrum matches (PSMs) needs to be evaluated also by algorithms, as a manual curation of these huge datasets would be impractical. The target-decoy database strategy is largely used to perform spectrum evaluation. Nonetheless, this method has been applied without considering sensitivity, i.e., only error estimation is taken into account. A recently proposed method termed MUDE treats the target-decoy analysis as an optimization problem, where sensitivity is maximized. This method demonstrates a significant increase in the retrieved number of PSMs for a fixed error rate. However, the MUDE model is constructed in such a way that linear decision boundaries are established to separate correct from incorrect PSMs. Besides, the described heuristic for solving the optimization problem has to be executed many times to achieve a significant augmentation in sensitivity. Results Here, we propose a new method, termed MUMAL, for PSM assessment that is based on machine learning techniques. Our method can establish nonlinear decision boundaries, leading to a higher chance to retrieve more true positives. Furthermore, we need few iterations to achieve high sensitivities, strikingly shortening the running time of the whole process. Experiments show that our method achieves a considerably higher number of PSMs compared with standard tools such as MUDE, PeptideProphet, and typical target-decoy approaches. Conclusion Our approach not only enhances the computational performance, and thus the turn around time of MS-based experiments in proteomics, but also improves the information content with benefits of a higher proteome coverage. This improvement, for instance, increases the chance to identify important drug targets or biomarkers for drug development or molecular diagnostics.

Polymer-based herbicide nanocarriers have shown potential for increasing the herbicide efficacy and environmental safety. This study aimed to develop, characterize, and evaluate toxicity to target and nontarget organisms of natural-based polymeric nanosystems for glyphosate. Polymers such as chitosan (CS), zein (ZN), and lignin (LG) were used in the synthesis. Nanosystem size, surface charge, polydispersity index, encapsulation efficiency, toxicity to weed species ( Amaranthus hybridus , Ipomoea grandifolia , and Eleusine indica ), and Roundup Ready (RR) crops, soil respiration, and enzyme activity were evaluated. The most stable system was the combination of ZN with the cross-linker poloxamer (PL), with higher weed control efficacy (90-96%) for A. hybridus , compared to commercial glyphosate (40%). No improvement was observed for I. grandifolia and E. indica . No glyphosate toxicity was observed in RR crops, soil respiration, or soil enzymes, indicating no toxic effects of the nanoformulation in these models. ZN-PL systems can be a promising alternative for glyphosate delivery, using environmentally friendly materials, with improved efficiency for weed control in agriculture.

Gold(I) N-heterocyclic carbenes have been explored for their therapeutic potential against several diseases. Neglected tropical diseases, including leishmaniasis, Chagas disease, and viral infections, such as zika, mayaro, and chikungunya, urgently require new treatment options. The emergent SARS-CoV-2 also demands significant attention. Gold complexes have shown promise as alternative treatments for these conditions. Previously, gold(I)(1,3-bis(mesityl)imidazole-2-ylidene)Cl (AuIMesCl) demonstrated significant leishmanicidal and anti-Chikungunya virus activities. In this study, we synthesized and fully characterized a series of gold(I)(1,3-bis(mesityl)imidazole-2-ylidene)(SR) complexes, where SR includes thiolate donor species such as 1,3-thiazolidine-2-thione, 1,3-benzothiazole-2-thione, 2-mercaptopyrimidine, and 2-thiouracil. These compounds were stable in solution, and ligand exchange reactions with N -acetyl-L-cysteine indicated that complexes with SR ligands are more labile than those with chloride. Although the reactions are rapid, they reach equilibrium at varying molar ratios depending on the SR ligand. The increased lability of these compounds results in higher cytotoxicity to host cells, such as Vero E6 and bone marrow-differentiated macrophages, compared to AuIMesCl. Despite this, the compounds effectively inhibited viral replication, achieving 95.5% inhibition of Zika virus replication at 2 μM with 96% host cell viability. Although active at low concentrations (∼2 μM) against Leishmania (L.) amazonensis and Trypanosoma cruzi , their high cytotoxicity for macrophages confirmed AuIMesCl as a better candidate with a higher selectivity index. This work correlates the coordination chemistry of pyrimidines and thiazolidines with their in vitro biological activities against significant diseases.

Weeds cause economic losses in cropping systems, leading to the use of 1.7 million tons of herbicides worldwide for weed control annually. Once in the environment, herbicides can reach non-target organisms, causing negative impacts on the ecosystem. Herbicide retention, transport, and degradation processes determine their environmental fate and are essential to assure the safety of these molecules. Radiometric strategies using carbon-14 herbicides ( 14 C) are suitable approaches for determining herbicide absorption, translocation, degradation, retention, and transport in soil, plants, and water. In this work, we demonstrate how 14 C-herbicides can be used from different perspectives. Our work focused on herbicide-plant-environment interactions when the herbicide is applied (a) through the leaf, (b) in the soil, and (c) in the water. We also quantified the mass balance in each experiment. 14 C-mesotrione foliar absorption increased with oil and adjuvant addition (5-6 % to 25-46 %), and translocation increased only with adjuvant. More than 80 % of 14 C-quinclorac and 14 C-indaziflam remained in the soil and cover crops species absorbed less than 20 % of the total herbicides applied. In water systems, Salvinia spp. plants removed 10-18 % of atrazine from the water. Atrazine metabolism was not influenced by the presence of the plants. The radiometric strategies used were able to quantify the fate of the herbicide in different plant systems and the mass balance varied from 70 % to 130 %. Importantly, we highlight a critical and practical view of tracking herbicides in different matrices. This technique can aid scientists to explore other pesticides as environmental contaminants., Competing Interests: Declaration of Competing Interest The authors declare that they have no known competing financial interests or personal relationships that could have appeared to influence the work reported in this paper., (Copyright © 2024 The Authors. Published by Elsevier Inc. All rights reserved.)

β-Amidated carboxylic acids, or succinamic acid derivatives, constitute a valuable chemical scaffold with broad applications in pharmaceuticals, agrochemicals, and polymer sciences. Herein, we report a redox-neutral multicomponent reaction for the synthesis of succinamic acid derivatives in good yields. This protocol involves styrene, CO 2 and 1,4-carbamoyl-dihydropyridine as radical precursors. The method exhibits a broad substrate scope under mild reaction conditions, including late-stage functionalization. Moreover, by employing 13 CO 2 , the method enables the synthesis of labeled 1,2-dicarboxylic compounds.

This work studied suspicious and authentic artworks by Brazilian painters Ivan Serpa, Ismael Nery, and Iberê Camargo by XRF, FTIR, OM, and MA-XRF techniques. The studies made it possible to verify that all suspicious artworks are counterfeit artifacts. The analyses were conducted in situ, and different approaches were applied for data treatment. For example, principal component analysis and spectral deconvolution were performed on the XRF data. From these methods, it was possible to verify that the suspect artworks by Ivan Serpa and Iberê Camargo have different materiality than the authentic paintings. Additionally, MA-XRF images did not reveal the presence of a polychrome preparation layer in the suspicious paintings by Ivan Serpa. The suspect artworks from Ismael Nery exhibited a Ca-K/Ti-K ratio that indicates they were created on a low-quality paper support, which is not suitable for paintings. The differences in materials used in the suspicious and authentic artworks are further supported by the FTIR and OM results. In addition to the physicochemical analysis, the paintings were studies graphotechnical examinations, financial evaluations, and artistic analyses that demonstrated they were counterfeit artifacts. The results of the analysis demonstrate how physicochemical techniques can contribute to the forensic investigation of paintings. However, this work highlights the importance of applying distinct treatments to the XRF data in order to accentuate the differences between the suspect and authentic artworks., Competing Interests: Declaration of Competing Interest The authors declare that they have no known competing financial interests or personal relationships that could have appeared to influence the work reported in this paper., (Copyright © 2023 Elsevier B.V. All rights reserved.)

Background: Pain is a common experience during nasoenteral catheterization. Although the procedure causes discomfort and distress to patients, procedural pain remains neglected and undertreated., Objective: To evaluate the analgesic efficacy of the use of 10% lidocaine spray during nasoenteral catheterization., Method: A randomized, triple-blind trial of 50 patients was performed. The patients were randomly assigned to two groups: an intervention group (IG), in which 10% lidocaine spray combined with 2% lidocaine gel was used, and a control group (CG), in which a saline solution spray combined with 2% lidocaine gel was used. Pain and discomfort were assessed during and after nasoenteral catheterization using numerical rating scale (NRS) and the visual analogue scale (VAS), respectively., Results: Intervention group participants reported lower pain scores during (0.20 ± 0.71 vs. 5.00 ± 2.84, p < .001; |d| = -0.677) and after (0.00 ± 0.00 vs. 2.80 ± 2.83, p < .001; |d| = -0.718) nasoenteral catheterization compared to the CG., Conclusion: Spraying 10% lidocaine spray before nasoenteral catheterization was most effective for relieving discomfort and pain, with lower pain and discomfort recorded in NRS and VAS. Topical administration of 10% lidocaine spray is therefore a suggested measure for procedural pain relief related to nasoenteral catheterization., Significance: The use of 10% lidocaine spray was more effective in relieving procedural pain and discomfort during nasoenteral catheterization. Patients who received 10% lidocaine spray registered lower discomfort and pain scores than those from 2% lidocaine gel group; there were less complications among patients in the IG., (© 2019 European Pain Federation - EFIC®.)

Several polymers have been investigated for producing cationic nanocarriers due to their ability to cross biological barriers. Polycations such as copolymers of polymethylmethacrylate are highlighted due to their biocompatibility and low toxicity. The purpose of this study was to produce small and narrow-sized cationic nanoparticles able to overcome cell membranes and improve the biological activity of benznidazole (BNZ) in normal and cancer cells. The effect of composition and procedure parameters of the used emulsification-solvent evaporation method were controlled for this purpose. The experimental approach included particle size, polydispersity index, zeta potential, atomic force microscopy (AFM), attenuated total reflectance Fourier transforms infrared spectroscopy (ATR- FTIR), drug loading efficiency, and physical stability assays. Spherical and stable (over six weeks) sub 150nm cationic nanoparticles were optimized, with the encapsulation efficiency >80%. The used drug/copolymer ratio modulated the slow drug release, which was adjusted by the parabolic diffusion mathematical model. In addition, the ability of the cationic nanoparticles improve the BNZ uptake in the normal kidney cells (HEK 293) and the human colorectal cancer cells (HT 29) demonstrate that this novel BNZ-loaded cationic has great potential as a chemotherapeutic application of benznidazole., (Copyright © 2017. Published by Elsevier B.V.)