Schistosomicidal activity of the essential oil of Ageratum conyzoides L. (Asteraceae) against adult Schistosoma mansoni worms

The in vitro schistosomicidal effects of the essential oil of Ageratum conyzoides L. (Ac-EO) against adult worms of Schistosoma mansoni is reported in this paper. Concerning this activity, Ac-EO was considered to be active, but less effective than the positive control (praziquantel, PZQ) in terms of separation of coupled pairs, mortality, decrease in motor activity, and tegumental alterations. However, Ac-EO caused an interesting dose-dependent reduction in the number of eggs of S. mansoni. Precocene I (74.30%) and (E)-caryophyllene (14.23%) were identified as the two major constituents of Ac-EO. These compounds were tested individually and were found to be much less effective than Ac-EO and PZQ. A mixture of the two major compounds in a ratio similar to that found in the Ac-EO was also less effective than Ac-EO, thus revealing that there are no synergistic effects between these components. These results suggest that the essential oil of A. conyzoides is very promising for the development of new schistosomicidal agents.     

Attenuated total reflection Fourier transform infrared (ATR-FTIR) spectroscopy of a single endothelial cell

Attenuated total reflection Fourier transform infrared spectroscopy (ATR-FTIR) with the use of a slide-on germanium accessory followed by chemometric analysis allowed for providing meaningful information about the biochemical composition of a single endothelial cell. In this work, the methodology of the ATR-FTIR measurements of dried cells and dried cells immersed in water solution is presented. The contact of the cell and Ge crystal was set up manually and monitored through the integration of the amide I band. Additionally, the cell imaging in transreflection mode was tested, but the spectral differences between sub-cellular structures were not prominent in the registered spectra. It has been shown that the ATR-FTIR method gives better results due to the increased spatial resolution and S/R ratio as well as small contribution of the optical artifacts.     

Theoretical Study of 2-(Trifluoromethyl)phenothiazine Derivatives with Two Hydroxyl Groups in the Side Chain-DFT and QTAIM Computations

Phenothiazines are known as synthetic antipsychotic drugs that exhibit a wide range of biological effects. Their properties result from the structure and variability of substituents in the heterocyclic system. It is known that different quantum chemical properties have a significant impact on drug behavior in the biological systems. Thus, due to the diversity in the chemical structure of phenothiazines as well as other drugs containing heterocyclic systems, quantum chemical calculations provide valuable methods in predicting their activity. In our study, DFT computations were applied to show some thermochemical parameters (bond dissociation enthalpy—BDE, ionization potential—IP, proton dissociation enthalpy—PDE, proton affinity—PA, and electrontransfer enthalpy—ETE) describing the process of releasing the hydrogen/proton from the hydroxyl group in the side chain of four 2-(trifluoromethyl)phenothiazine (TFMP) derivatives and fluphenazine (FLU). Additional theoretical analysis was carried out based on QTAIM theory. The results allowed theoretical determination of the ability of compounds to scavenge free radicals. In addition, the intramolecular hydrogen bond (H-bond) between the H-atom of the hydroxyl group and the N-atom located in the side chain of the investigated compounds has been identified and characterized.     

Anion Sensing with Luminescent Quantum Dots – A Modular Approach Based on the Photoinduced Electron Transfer (PET) Mechanism

A CdSe–ZnS quantum dot (QD) has been surface functionalised with 1-(2-mercapto-ethyl)-3-phenyl-thiourea in the fluorophore–spacer–receptor format typical of Photoinduced Electron Transfer (PET) based organic dye sensors. The resulting QD conjugate was tested for selectivity toward the tetrabutylammonium salts of fluoride, chloride, bromide, hydrogen sulfate and acetate. Addition of fluoride, chloride and acetate ions resulted in an approximate 90% quenching of the original fluorescence intensity, while bromide and hydrogen sulfate had almost no effect. The observed quench was attributed to an increase in the reduction potential of the receptor upon anion binding resulting in an increase in PET from the excited QD to the receptor and a concomitant reduction in fluorescence intensity. The selectivity and sensitivity were comparable to an analagous organic dye based sensor where a similar receptor was bound to an anthracene fluorophore. Thus a modular approach is evident where a receptor used in an organic dye based sensor can be adapted and successfully used with QD’s.     

Luminescent Detection of ATP in Aqueous Solution Using Positively Charged CdSe–ZnS Quantum Dots

Commercially available CdSe–ZnS Quantum Dots (QDs) have been modified by exchanging the hydrophobic surface ligands with (2-mercaptoethyl)-trimethylammonium chloride. The resulting water soluble conjugate was titrated with solutions of adenosine triphosphate (ATP), adenosine diphosphate, adenosine monophosphate, guanosine triphosphate (GTP), guanosine diphosphate and guanosine monophosphate in 0.01 M 4-(2-hydroxyethyl)-1-piperazineethanesulfonic acid buffer (pH 7.4). A strong fluorescence quench of about 80% was observed for ATP, a quench of 25% was observed for GTP while the others had virtually no effect. The quenching effect of ATP and GTP was attributed to the high negative charge density associated with these substrate’s resulting in a strong attraction to the QD surface enabling them to engage in electron transfer with the excited QD. The lack of fluorescence quenching associated with the other nucleotides was most likely due to their reduced charge density resulting in a lower affinity for the QD surface.     

Influence of Freeze-Dried Phenolic-Rich Plant Powders on the Bioactive Compounds Profile,Antioxidant Activity and Aroma of Different Types of Chocolates

In this study, the blueberries (BLUB), raspberries (RASB), blackberries (BLCB), pomegranates pomace (POME) and beetroots (BEET) freeze-dried powders were used as the sources of phenolic compounds to enrich different types of chocolates, substituting a part of the sweetener. It was found that 1% addition of fruit or vegetable powders to chocolates increased the content of total phenolic compounds (flavan-3-ols, phenolic acids and anthocyanins) of enriched dark and milk chocolates compared to the control ones dependent on the powder used. Among the enriched chocolates, the chocolates with the addition of BLUB powder were characterized by the highest total polyphenol content. The highest percentage increase (approximately 80%) in the total polyphenol content was observed in MCH chocolate enriched with BLUB powder. Chocolates incorporated with BLUB, RASB, BLCB and POME powders presented a richer phenolic compound profile than control counterparts. The highest DPPH radical-scavenging capacity was exhibited by the DCH98S chocolate enriched with BEET powder. However, the DCH98ESt chocolates enriched with POME and BEET powders demonstrated the highest FRAP values. An electronic nose analysis confirmed the existence of differences between the profiles of volatile compounds of various types of chocolates enriched with fruit or vegetable powders. Thus, the enrichment of dark and milk chocolates with BLUB, RASB, BLCB, POME and BEET powders seemed to be an interesting approach to enhance bioactivity and to enrich the sensory features of various chocolate types.     

Synthesis and studies on spectroscopic as well as electron donating properties of the two alkoxy benzo[b]thiophenes

Synthesis, characterization, steady state and time resolved, using time correlated single photon counting as well as laser flash photolysis techniques, spectroscopic investigations were made for two alkoxy benzo[b]thiophene molecules: 5-methoxy benzo[b]thiophene (5MBT) and 5-methoxymethyl benzo[b]thiophene (5MMBT). In both non-polar n-heptane (NH) and polar acetonitrile (ACN) solvents and at ambient temperature the electronic absorption spectra of these thiophenes exhibit different band systems whose assignments were made from the measurements of the steady state excitation polarization spectra. Steady state fluorescence spectra of these molecules in the different polarity solvents show the presence of non-specific interactions. From the redox properties of the benzothiophenes, measured by cyclic voltammetry, their electron donating properties were observed in the presence of the well-known electron acceptor 9cyanoanthracene (9CNA). Further, detailed studies by laser flash photolysis techniques show that ion-recombination mechanism predominates after the initial excitation of the acceptor moiety using the third harmonic of Nd:YAG laser. This recombination together with the external heavy atom effect (the donor containing 'sulphur' atom) appears to be responsible for the formation of the triplet of the monomeric acceptor 9CNA. From the steady state experiments it is shown that both in non-polar NH and highly polar ACN the quenching in the fluorescence emission of 9CNA in the presence of the benzothiophene donors is brought about primarily by the external heavy atom effect and in ACN, although the presence of the photoinduced ET reaction is confirmed, this process seems, from the observed bimolecular dynamic quenching rate, kq to be significantly masked by the external heavy atom effect.     

Degradation of biologically active substances by vapor-phase hydrogen peroxide

We have examined the potential of vapor-phase hydrogen peroxide (VPHP) for degradation of 21 structurally different pharmaceutical substances. Our results show that VPHP can be used to degrade pharmaceuticals, but it was not universally applicable to all the drugs tested. Structural analysis revealed a significant correlation of the molecular structure of a compound with its susceptibility to VPHP. Tertiary amino groups seem to be the initiation centers, although the overall susceptibility of a substance depends on other factors also. Several tested substances underwent significant structural changes, suggesting a possible decrease in their biological activity. As far as we are aware, this is one of the first reports of application of VPHP to the decontamination of hazardous chemicals.