JBCS

[Cu(2,3-tmtppa)](MeSO₄)₄ efficiently catalyzes the direct conversion of nitriles to N-substituted amides with primary amines. The one pot selective synthesis of the N-substituted amide was performed in refluxing H₂O.

The separation of ten modified nucleosides by capillary electrophoresis with UV detection (CE-UV) was accomplished by the use of an anionic surfactant in the background electrolyte, within 25 min and high efficiency (ca. 10⁵). The method presents appropriate detectability, linearity, precision and accuracy and may be applied for the analyses of blood samples from cancer patients.

Glucopyranosyl-triazoles were synthesized in good yields under ultrasound activation. NOE experiments showed a solvent effect on the conformational equilibrium. The glucoheterocycles revealed potent anti-inflammatory activity.

Biosorption of Cd(II) and Zn(II) by the marine microalgae T. gracilis was studied. Adsorption capacity and binding stability were higher for Zn(II) in comparison with Cd(II). Zinc inhibited the adsorption of Cd(II), but minor adsorption sites with strong affinity for Cd(II) were observed, suggesting that under depletion of Zn(II), bioaccumulation of Cd(II) may occur.

The global uncertainty (U) combines the contributions of all the sources of error linked to the analytical procedure. U₁, U₂, U₃ and U₄ are the uncertainties associated to standard preparation, calibration curve, precision and accuracy, respectively.

Sertraline, an antidepressant drug, has a high affinity with calf thymus DNA at physiological pH conditions. The interaction of sertraline with DNA was investigated by various methods. Minor-groove binding mode was concluded as a result of this study.

Schematic representation of the Venturi easy ambient sonic-spray ionization in its liquid mode (V_L-EASI) analysis of Bn blends. A droplet of the Bn blend is diluted in acidified methanol and simply sprayed using a homemade V_L-EASI source for the direct mass spectrometric analysis.

The increasing of herbicide resistant weeds has been stimulating researchers to find new chemical control agents. Within this context, heterocyclic compounds play an important role. Described in this work is the synthesis and phytotoxic evaluation of novel 1,2,3-triazole bearing halogenated benzyl moieties.

Classification and quantitative models were developed to determine which features are relevant to the antifungal activity of a series of 33 azole derivatives assayed against Cryptococcus gattii. From these models, electronic characteristics were highlighted as important for antifungal activity and targeted to structural changes in this series of compounds.

This manuscript describes the search for a correlation between 36 chemical compounds and 10 sensory attributes using principal components analysis. A chemical model was then developed using linear discriminant analysis and tested as an alternative tool to classify cachaças according to their sensory qualities.

Figure presents an overview of the new version of the automatic injector showing its configuration ready to be used. This design facilitated the replacement of the movable part and contributed to reducing the friction, thereby allowing the use of a small DC motor to move the central piece from the sampling position to the injection position and vice versa.

A method is proposed for classifying drugs with dypirone, orphenadrine and caffeine. The chemometric models were SIMCA, GA-LDA and SPA-LDA with NIR spectroscopy. All models obtained 100% correct classification, using full, 12 and 2 variables. The results indicate potential for use as a tool in drug quality control.

Matrix effect can occur in chromatographic analysis of organotin compounds, such as tributyltin (TBT) by gas chromatography with pulsed flame photometric detection (GC-PFPD), mainly involving complex matrices, such as fish tissues, while it is not observed in abiotic samples.

Configurations for the original acids were attributed, chemical shifts of the geminal protons were assigned and enantiomeric compositions were determined. The suggested structural model correlates the deshielding effects of the ethyl and methyl groups over the protons situated in the opposite face.

Soy protein isolate (SPI) was used as an emulsifier for oil in water (o/w) emulsions to obtain microcapsules after drying. The results show that the morphology of the protein chains changed when nested at different interfaces and the capsule walls were made from the fractal aggregation of single chains.

Density functional theory (DFT) was employed to study polynitroimidazopyridines at the B3LYP/6-31+G(d) level. The simulation results reveal that two molecules perform similarly to 1,3,5,7-tetranitro-1,3,5,7-tetrazocane (HMX), and other two molecules may be potential candidates for high energy density compounds (HEDCs).

The novelty of this study is the application of nano-baskets of calixarene in the selective and efficient preconcentration and separation of dioxin. For this aim, four derivatives of p-tert-calix[4]arene bearing different sulfonamide moieties were synthesized and their inclusion-extraction parameters were optimized.

The remarkable advantage of in situ metathesis reaction assisted IL-DLLME is that it does not require the utilization of an organic disperser solvent. The typical chromatogram indicates that the matrix complexity had little effect on this method.

The superhydrophobic surfaces (static water contact angle (WCA) > 159°) fabricated using aqueous and non-aqueous solvents were probed in detail by NEXAFS and FTIR-ATR. The chemical heterogeneity of the surface determined the dynamic of the wetting phenomena without altering the static component of the superhydrophobicity.

Geometric parameters and energy profile showing the relative stability of the isomers HSeBr and HBrSe, the barrier height to isomerization and the dissociation channels.

Anatase nanoparticle size measurements employed Raman spectroscopy and the phonon confinement model in comparison with TEM images and particle size distribution.

Experimental monitoring and computational simulation of titanium surface modifications during biomimetic coating. Before: Bare titanium. The pH-microelectrode can be seen at 45° towards the center. After: Coated titanium

The figure shows mandarin orange (Citrus reticulata) used as a biosorbent in an on-line system coupled to flame atomic absorption spectrometry for the preconcentration and determination of nickel in alcoholic beverages.