Pasta Enriched with Dried and Powdered Leek: Physicochemical Properties and Changes during Cooking

Food enrichment is commonly applied to increase the pro-health and dietary value of final products. This study aimed to evaluate how green leek powder (GL) added to semolina influenced the physicochemical, sensory, and cooking characteristics of the pasta. The pasta was prepared by partially substituting semolina with 0, 1, 2, 3, 4, and 5 g/100 g of GL. Then, the pasta samples were assessed for color, cooking properties, sensory features, mechanical properties, total phenolic content (TPC), and antioxidant activity (AA). The results indicated that GL significantly decreased the lightness and increased the yellowness of cooked pasta. The total color difference between the control pasta and enriched pasta samples ranged from 2.54 to 6.89 and 5.60 to 11.06 (for uncooked and cooked pasta, respectively). The addition of GL also caused an increase in the optimal cooking time and cooking loss. Moreover, a significant increase in stretching force was observed in cooked pasta. Sensory evaluation revealed that substitution of semolina with up to 2 g/100 g GL did not affect the smell, taste, and color of pasta. Most importantly, GL-enriched pasta was characterized by higher TPC and higher AA compared to the control samples. In summary, our results recommend partial replacement of semolina by GL (up to 3 g/100 g) in pasta production.     

Classification of Honey Powder Composition by FTIR Spectroscopy Coupled with Chemometric Analysis

Fourier transform infrared spectroscopy (FTIR) in connection with chemometric analysis were used as a fast and direct approach to classify spray dried honey powder compositions in terms of honey content, the type of diluent (water or skim milk), and carrier (maltodextrin or skim milk powder) used for the preparation of feed solutions before spray drying. Eleven variants of honey powders containing different amounts of honey, the type of carrier, and the diluent were investigated and compared to pure honey and carrier materials. Chemometric discrimination of samples was achieved by principal component analysis (PCA), hierarchical clustering analysis (HCA), linear discriminant analysis (LDA), and partial least squares-discriminant analysis (PLS-DA) modelling procedures performed on the FTIR preprocessed spectral data for the fingerprint region (1800–750 cm⁻¹) and the extended region (3600–750 cm⁻¹). As a result, it was noticed that the type of carrier is a significant factor during the classification of different samples of powdered multifloral honey. PCA divided the samples based on the type of carrier, and additionally among maltodextrin-honey powders it was possible to distinguish the type of diluent. The result obtained by PCA-LDA and PLS-DA scores yielded a clear separation between four classes of samples and showed a very good discrimination between the different honey powder with a 100.0% correct overall classification rate of the samples.     

MCSCF study of singlet oxygen addition to ethenol—a model of photooxidation reactions of unsaturated and aromatic compounds bearing hydroxy groups

The reaction path of singlet (¹Δ_g) oxygen addition to ethenol (vinyl alcohol)—a model of the reactions of singlet oxygen with aromatic and unsaturated compounds bearing the hydroxy groups—has been studied by means of MCSCF calculations, using various active spaces and basis sets. The effects of dynamic correlation (at the PT2 level) and basis set superposition error (BSSE) on relative energies were also investigated. It was found that including polarization functions is necessary to obtain geometries of the oxygen moiety consistent with the available experimental data. Two possible reaction products were considered: 1-hydroxy-1,2-dioxethane (peroxide) and 2-hydroperoxyethanal-1 (hydroperoxide); their energies are 24.1 and 36.6 kcal/mol (44.1 and 78.2 kcal/mol with the PT2 contribution and BSSE correction) below the dissociation limit, respectively (all energies reported here refer to the 6-31G** basis set and an active space composed of eight orbitals and ten electrons). A common stage of both reactions is the formation of a peralcoxyl intermediate with one of the oxygen atoms attached to the unsubstituted carbon atom; the energies of the respective transition state and that of the intermediate are 30.2 and 18.7 kcal/mol (15.9 and 10.3 kcal/mol with the PT2 contribution and BSSE correction) above the dissociation limit, respectively. The energy of this transition state is the dominant energy barrier to the reaction. The intermediate can then undergo conversion to the dioxethane product, to the perepoxide intermediate, or via a proton transfer, directly to the hydroperoxide, the last route being the most probable one. The perepoxide intermediate, after a proton transfer, also readily gives the hydroperoxide. It was also found that the unimolecular conversion from dioxethane to hydroperoxide via a proton transfer from the hydroxy group accompanied with ring cleavage requires an activation energy of at least 56 kcal/mol, making this reaction path highly improbable. © 1997 John Wiley & Sons, Inc. J Comput Chem 18 : 1668–1681, 1997     

The Synthesis Methodology of PEGylated Fe3O4@Ag Nanoparticles Supported by Their Physicochemical Evaluation

Many investigations are currently being performed to develop the effective synthesis methodology of magnetic nanoparticles with appropriately functionalized surfaces. Here, the novelty of the presented work involves the preparation of nano-sized PEGylated Fe₃O₄@Ag particles, i.e., the main purpose was the synthesis of magnetic nanoparticles with a functionalized surface. Firstly, Fe₃O₄ particles were prepared via the Massart process. Next, Ag+ reduction was conducted in the presence of Fe₃O₄ particles to form a nanosilver coating. The reaction was performed with arabic gum as a stabilizing agent. Sound energy-using sonication was applied to disintegrate the particles’ agglomerates. Next, the PEGylation process aimed at the formation of a coating on the particles’ surface using PEG (poly(ethylene glycol)) has been performed. It was proved that the arabic gum limited the agglomeration of nanoparticles, which was probably caused by the steric effect caused by the branched compounds from the stabilizer that adsorbed on the surface of nanoparticles. This effect was also enhanced by the electrostatic repulsions. The process of sonication caused the disintegration of aggregates. Formation of iron (II, III) oxide with a cubic structure was proved by diffraction peaks. Formation of a nanosilver coating on the Fe₃O₄ nanoparticles was confirmed by diffraction peaks with 2θ values 38.15° and 44.35°. PEG coating on the particles’ surface was proven via FT-IR (Fourier Transform Infrared Spectroscopy) analysis. Obtained PEG–nanosilver-coated Fe₃O₄ nanoparticles may find applications as carriers for targeted drug delivery using an external magnetic field.     

Combination of solid-state NMR,molecular mechanics and DFT calculations for the molecular structure determination of methyl glycoside benzoates

Structural Chemistry - A reliable method for molecular structure determination, excluding single-crystal X-ray diffraction (SCXRD), has been applied to six methyl glycoside tetrabenzoates. The...     

Zeolites at the Molecular Level: What Can Be Learned from Molecular Modeling

This review puts the development of molecular modeling methods in the context of their applications to zeolitic active sites. We attempt to highlight the utmost necessity of close cooperation between theory and experiment, resulting both in advances in computational methods and in progress in experimental techniques.     

Variations of plutonium isotopic ratios in Antarctic ecosystems

The aim of the article was to verify the hypothesis concerning the diversification of plutonium sources in the natural environment of Antarctica. Plutonium activity and atom ratios were analyzed in two groups of biological samples: terrestrial and marine. Both isotopic ratios in the terrestrial set were consistent with global radioactive fallout ratios. The average activity ratio in the marine ecosystem was lower than global radioactive fallout. At the same time mass ratio values in this group turned out to be surprisingly varied. Analysis of the results showed statistically significant differences between the marine and terrestrial ecosystems.     

Monitoring Hydrogenation Reactions using Benchtop 2D NMR with Extraordinary Sensitivity and Spectral Resolution

Low-field benchtop nuclear magnetic resonance (BT-NMR) spectrometers with Halbach magnets are being increasingly used in science and industry as cost-efficient tools for the monitoring of chemical reactions, including hydrogenation. However, their use of low-field magnets limits both resolution and sensitivity. In this paper, we show that it is possible to alleviate these two problems through the combination of parahydrogen-induced polarization (PHIP) and fast correlation spectroscopy with time-resolved non-uniform sampling (TR-NUS). PHIP can enhance NMR signals so that substrates are easily detectable on BT-NMR spectrometers. The interleaved acquisition of one- and two-dimensional spectra with TR-NUS provides unique insight into the consecutive moments of hydrogenation reactions, with a spectral resolution unachievable in a standard approach. We illustrate the potential of the technique with two examples: the hydrogenation of ethylphenyl propiolate and the hydrogenation of a mixture of two substrates – ethylphenyl propiolate and ethyl 2-butynoate.