Analysis of Fatty Acids,Amino Acids and Volatile Profile of Apple By-Products by Gas Chromatography-Mass Spectrometry

Apple industrial by-products are a promising source of bioactive compounds with direct implications on human health. The main goal of the present work was to characterize the Jonathan and Golden Delicious by-products from their fatty acid, amino acid, and volatile aroma compounds’ point of view. GC-MS (gas chromatography-mass spectrometry) and ITEX/GC-MS methods were used for the by-products characterization. Linoleic and oleic were the main fatty acids identified in all samples, while palmitic and stearic acid were the representant of saturated ones. With respect to amino acids, from the essential group, isoleucine was the majority compound identified in JS (Jonathan skin) and GS (Golden skin) samples, lysine was the representant of JP (Jonathan pomace), and valine was mainly identified in GP (Golden pomace). A total number of 47 aroma volatile compounds were quantified in all samples, from which the esters groups ranged from 41.55–53.29%, aldehydes 29.75–43.99%, alcohols from 4.15 to 6.37%, ketones 4.14–5.72%, and the terpenes and terpenoids group reached values between 2.27% and 4.61%. Moreover, the by-products were valorized in biscuits manufacturing, highlighting their importance in enhancing the volatile aroma compounds, color, and sensorial analysis of the final baked goods.     

Predicted binding rate of new cephalosporin antibiotics by a 3D-QSAR method: a new approach

Abstract  

Antibiotics are chemotherapeutic agents with activity against microorganisms, for example bacteria, fungi, or protozoa, used for the treatment of many types of diseases. Binding of antibiotics to serum proteins in human plasma is a major determinant of their pharmacodynamic and pharmacokinetic behavior and, consequently, can affect their systemic distribution in the body. Here, the predicted binding rates of ceftazidime and 13 other pharmacological agents classified as antibiotics to plasma proteins (percentage fraction bound; PFB) were evaluated by use of 3D-QSAR models. We attempted to establish the contribution of hydrogen bond donor/acceptor and hydrophobic properties supplied by electrostatic fields to the PFB. Significant cross-validated correlation q ² (0.5–0.7) and the fitted correlation r ² (0.7–0.97) coefficients revealed that these models have reasonable power to predict the design 19 new antibiotics using ceftazidime as template, these compounds being our suggestion for further studies.     

Thermal Decomposition and Crystallization of Aqueous Sol-Gel Derived Zirconium Acetate Gels: Effects of the Additive Anions

Zirconia powders were prepared by forming gels by desiccation of aqueous precursor solutions of zirconium acetate containing nitric or sulfuric acid at pH 2.4 and 1.4 and pyrolyzing the gels to temperatures up to 825°C. The structure development in the gels and solid pyrolysis products was investigated. The crystalline zirconia structures produced monoclinic (m), metastable cubic (c) and tetragonal (t) polymorphs. The structure transition temperatures were strongly dependent on the pH, the anions and the stoichiometry of the zirconium complex in the precursor solution. The monoclinic polymorph fraction in the zirconia formed by pyrolyzing the gel formed from the precursor solution containing sulfuric acid at pH 2.4 to 750°C approaches zero while this ratio in the zirconia formed by pyrolyzing the gel formed from the precursor solution containing nitric acid at pH 1.4 to 825°C is 0.7.     

Flow of a viscoelastic fluid with the fractional Maxwell model between two side walls perpendicular to a plate

The unsteady flow of a viscoelastic fluid with the fractional Maxwell model between two side walls perpendicular to a plate is investigated. Exact solutions for the velocity field are established by means of the Fourier and Laplace transforms. The similar solutions for Maxwell and Newtonian fluids can be obtained as limiting cases of our results. In the absence of side walls, all solutions that have been determined reduce to those corresponding to the motion over an infinite plate.     

A note on the second problem of Stokes for Maxwell fluids

New exact solutions corresponding to the second problem of Stokes for Maxwell fluids have been established by means of Laplace transforms. For large times, these solutions reduce to the well-known steady-state solutions which are periodic in time and independent of the initial conditions. Furthermore, the transient solutions are in accordance with the previous solutions obtained using the Fourier sine transform. The required time to get the steady-state is determined by graphical illustrations. This time decreases if the frequency of the velocity increases. The effects of the material parameters on the decay of the transients in time are also investigated by graphs.     

Dual fluorescent labelling of cellulose nanocrystals for pH sensing

Cellulose nanocrystals were converted into ratiometric pH-sensing nanoparticles by dual fluorescent labelling employing a facile one-pot procedure. A simple and versatile three-step procedure was also demonstrated extending the number of fluorophores available for grafting. In this method an amine group was introduced via esterification followed by a thiol-ene click reaction.     

Synthesis of 4-aryl- and 4-alkyl-2-silyl-1,3-butadienes and their Diels-Alder/cross-coupling reactions

An ene-yne cross methasis of silyl-substituted alkynes and alkenes has been developed as a route to 4-aryl- and 4-alkyl-2-silyl-substituted 1,3-dienes. The dienes prepared were used to affect highly diastereoselective Diels-Alder reactions and then the silicon-substituted Diels-Alder cycloadducts were used in Hiyama cross-coupling reactions. The cross-coupling reactions enable these silicon dienes to be used as synthons for a variety of other dienes one might prepare and need access to. Two of the silicon-substituted Diels-Alder cycloadducts and one of the Hiyama cross-coupling products were also characterized by X-ray crystallography.     

Modeling and Simulation of Damage Processes based on a Gradient-Enhanced Free Energy Function

Taking into account softening effects in connection with conventional inelastic material models can cause ill-posed boundary value problems. These problems can be established by obtaining no unique solution for the resulting algebraic system or by having a strong mesh dependence of the numerical results. This is the consequence of losing ellipticity of the governing field equations. A possible approach to solve these problems is to introduce a non-local field function in the model which includes an internal material length scale. For this purpose a gradient-enhanced free energy function is used for the current continuum damage model from which two variational equations are resulting. Calculations with less effort can be achieved due to the enhancement of the free energy function in comparison to other approaches. The mentioned model is applied to a material with locally varying damage properties (yield limits). Furthermore, the model is able to describe crack propagation in cases of completely damaged material. Therewith, a matrix material including precipitates, such as carbides, is modeled. This allows to investigate ship screws, which usually exhibit the mentioned composition, with regard to the influence of cavitation. Cavitation describes the implosion of risen vapor bubbles, whereby the impact on screws causes heavy damages which can lead to a complete destruction. (© 2014 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim)     

Die Relationen,welche zwischen den elementaren symmetrischen Functionen bestehen

Ohne Zusammenfassung