Thiazolylazo dyes and their application in analytical methods

An overview is presented on thiazolylazo dyes and their analytical applications in the determination, preconcentration or separation of trace metal ions. The article summarizes conventional analytical methods based on spectrophotometry, solid phase extraction, liquid chromatography and liquid–liquid and cloud point extraction. Both in-batch and on-line procedures are considered. General properties about these ligands are also commented on. Finally, the use of thiazolylazo dyes in procedures involving electroanalytical and other methods is presented.     

Stability and electronic structure of BN negative disclination

We investigate, using first-principles calculations, the stability and electronic structure of disclinations, in nitride boron monolayers, with angle of θ=-60^°, called saddle-like compounds. Such structures present antiphase boundaries (APBs) that cause a reduction of the work function of the nanosaddle, relative to the BN bulk value, by as much as . Our results also indicate that nanosaddles with a lower number of B-B and N-N are the most stable among the studied structures. In addition, we find that APBs with carbon can enhance their stability.     

The effect of non-linear capacitances in the localization properties of aperiodic dual electric transmission lines

This study investigates the localization properties of dual electric transmission lines with non-linear capacitances. The V_C,n voltage across each capacitor is selected as a non-linear function of the electric charge q_n, i.e., V_C,n = q_n(1/C_n -ε_n|q_n|²)where C_n is the linear part of the capacitance and ε_n the amplitude of the non-linear term. We follow a binary distribution of values of ε_n, according to the Thue-Morse m-tupling sequence. The localization behavior of this non-linear case indicates that the case m = 2 does not belong to the m ≥ 3, family because when m changes from m = 2 to m = 3, the number of extended states diminishes dramatically. This proves the topological difference of the m = 2 and m = 3 families. However, by increasing m values, localization behavior of the m-tupling family resembles that of the m = 2, case because the system begins to regain its extended states. The exact same result was obtained recently in the study of linear direct transmission lines with m-tupling distribution of inductances. Consequently, we state that the localization behavior of the m-tupling family as a function of the m value is independent of both the linear and the non-linear system under study, but independent of the kind of transmission line (dual or direct). This is curious behavior of the m-tupling family and thus deserves more scholarly attention.     

Antifungal Activity and In Silico Studies on 2-Acylated Benzo- and Naphthohydroquinones

The high rates of morbidity and mortality due to fungal infections are associated with a limited antifungal arsenal and the high toxicity of drugs. Therefore, the identification of novel drug targets is challenging due to the several resemblances between fungal and human cells. Here, we report the in vitro antifungal evaluation of two acylphenols series, namely 2-acyl-1,4-benzo- and 2-acyl-1,4-naphthohydroquinones. The antifungal properties were assessed on diverse Candida and filamentous fungi strains through the halo of inhibition (HOI) and minimal inhibitory concentration (MIC). The antifungal activities of 2-acyl-1,4-benzohydroquinone derivatives were higher than those of the 2-acyl-1,4-naphthohydroquinone analogues. The evaluation indicates that 2-octanoylbenzohydroquinone 4 is the most active member of the 2-acylbenzohydroquinone series, with MIC values ranging from 2 to 16 μg/mL. In some fungal strains (i.e., Candida krusei and Rhizopus oryzae), such MIC values of compound 4 (2 and 4 μg/mL) were comparable to that obtained by amphotericin B (1 μg/mL). The compound 4 was evaluated for its antioxidant activity by means of FRAP, ABTS and DPPH assays, showing moderate activity as compared to standard antioxidants. Molecular docking studies of compound 4 and ADMET predictions make this compound a potential candidate for topical pharmacological use. The results obtained using the most active acylbenzohydroquinones are promising because some evaluated Candida strains are known to have decreased sensitivity to standard antifungal treatments.     

Bioassay-Guided Fractionation of Siparuna glycycarpa n-Butanol Extract with Inhibitory Activity against Influenza A(H1N1)pdm09 Virus by Centrifugal Partition Chromatography (CPC)

Siparuna glycycarpa occurs in the Amazon region, and some species of this genus are used in Brazilian folk medicine. A recent study showed the inhibitory effect of this species against influenza A(H1N1)pdm09 virus, and in order to acquire active fractions, a polar solvent system n-butanol-methanol-water (9:1:10, v/v) was selected and used for bioassay-guided fractionation of n-butanol extract by centrifugal partition chromatography (CPC). The upper phase was used as stationary phase and the lower phase as mobile (descending mode). Among the collected fractions, the ones coded SGA, SGC, SGD, and SGO showed the highest antiviral inhibition levels (above 74%) at 100 µg·mL⁻¹ after 24 h of infection. The bioactive fractions chemical profiles were investigated by LC-HRMS/MS data in positive and negative ionization modes exploring the Global Natural Products Social Molecular Networking (GNPS) platform to build a molecular network. Benzylisoquinoline alkaloids were annotated in the fractions coded SGA, SGC, and SGD collected during elution step. Aporphine alkaloids, O-glycosylated flavonoids, and dihydrochalcones in SGO were acquired with the change of mobile phase from lower aqueous to upper organic. Benzylisoquinolinic and aporphine alkaloids as well as glycosylated flavonoids were annotated in the most bioactive fractions suggesting this group of compounds as responsible for antiviral activity.     

Response and collapse of foam-supported sheet metal beams and shallow arches

This paper considers the response and failure characteristics of beams and arches constructed by bonding a layer of foam to a single metal sheet, thus creating a “Foam-Supported Sheet Metal,” or FSSM composite. The investigation was conducted from experimental and analytical/numerical perspectives. In the experiments, strips of Rohacell foam were bonded to straight or curved aluminum 2024 strips to construct the composites. The specimens were then supported at the ends and bent under a central load such that the foam was in tension. The results showed that significant increases in stiffness and failure loads could be achieved using this concept with relatively small weight penalty. Catastrophic failure occurred when the foam reached its tensile failure stress. Formulas to predict the bending stiffness and moment at failure of the composite sections were derived from beam theory and are presented. To predict the response of arches, a nonlinear finite element model was developed. The numerical results showed good agreement with the load-deflection responses and failure loads measured experimentally.     

The Natural Compound Hydrophobic Usnic Acid and Hydrophilic Potassium Usnate Derivative: Applications and Comparisons

Usnic acid is the best-studied lichen metabolite, presenting several biological activities, such as antibacterial, immunostimulating, antiviral, antifungal, anti-inflammatory, and antiparasitic agents; despite these relevant properties, it is a hydrophobic and toxic molecule. In this context, scientific research has driven the development of innovative alternatives, considering usnic acid as a source of raw material in obtaining new molecules, allowing structural modifications (syntheses) from it. The purpose is to optimize biological activities and toxicity, with less concentration and/or response time. This work presents a literature review with an analogy of the hydrophobic molecule of usnic acid with its hydrophilic derivative of potassium usnate, emphasizing the elucidation and structural characteristics, biological activities, and toxicological aspects of both molecules, and the advantages of using the promising derivative hydrophilic in different in vitro and in vivo assays when compared to usnic acid.     

Physical and chemical characterization insulin-loaded chitosan-TPP nanoparticles

The purpose of this study was to develop and characterize insulin nanoparticles systems using chitosan. Insulin-loaded nanoparticles were prepared by ionic gelation of chitosan with tripolyphosphate anions (TPP). The interactions between insulin and chitosan were evaluated by differential scanning calorimetry (DSC), thermogravimetry/derivative thermogravimetry (TG/DTG), and Fourier-transform infrared (FTIR) spectroscopy. Besides, particle size distribution, polydispersity index (PDI), zeta potential, and association efficiency (AE%) of the nanoparticles were evaluated. In general, inert nanoparticles and insulin-loaded nanoparticles showed an average size of 260.56 nm (PDI 0.502) and 312.80 nm (PDI 0.481), respectively. Both nanoparticles showed positive charge, but after insulin incorporation the zeta potential was reduced, evidencing its incorporation. Nanoparticles obtained also showed AE% around 70%, measured by high-performance liquid chromatography (HPLC). The results of FTIR, DSC, and TG/DTG corroborated the data presented suggesting that insulin was successfully encapsulated. However, drug incorporation seems to be related not only to electrostatic interactions, but also to physical process and/or adsorption phenomena.