Extraction of Anthocyanins from Borage (Echium amoenum) Flowers Using Choline Chloride and a Glycerol-Based,Deep Eutectic Solvent: Optimization,Antioxidant Activity,and In Vitro Bioavailability

Borage flower (Echium amoenum), an annual herb native to the Mediterranean region, is an excellent source of anthocyanins and is widely used in various forms due to its biological activities. In the present study, a choline chloride and glycerol (CHGLY)-based natural deep eutectic solvent (NADES) was applied in order to extract the anthocyanins from borage flowers. The traditional solvents, including water, methanol, and ethanol, were used to evaluate the efficiency of CHGLY. The results showed that CHGLY was highly efficient compared to the traditional solvents, providing the highest amounts of the total anthocyanin content (TAC), total phenolic content (TPC), total flavonoid content (TFC), individual anthocyanins, and antioxidant activity (DPPH radical scavenging (DPPH) and ferric-reducing antioxidant power (FRAP) assays). The most dominant anthocyanin found in studied borage was cyanidin-3-glucoside, followed by cyanin chloride, cyanidin-3-rutinoside, and pelargonidin-3-glucoside. The bioavailability % was 71.86 ± 0.47%, 77.29 ± 0.57%, 80.22 ± 0.65%, and 90.95 ± 1.01% for cyanidin-3-glucoside, cyanidin-3-rutinoside, by pelargonidin-3-glucoside and cyanin chloride, respectively. However, cyanidin-3-glucoside was the anthocyanin compound showing the highest stability (99.11 ± 1.66%) in the gastrointestinal environment. These results suggested that choline chloride and glycerol-based NADES is not only an efficient, eco-friendly solvent for the extraction of anthocyanins but can also be used to increase the bioavailability of anthocyanins.     

Heat Transfer and Pressure Drop Characteristics in Turbulent Flow Through a Tube

An experimental investigation has been carried out for turbulent flow through a tube with perforated strip inserts. Strips were of mild steels with circular holes of different diameters. Flow varies, with ranging Reynolds numbers from 15,000 to 47,000. Air velocity, tube wall temperatures, and pressure drops were measured for a plain and strip-inserted tube. The heat transfer coefficient and friction factor were found to be 2.80 times and 1.8 times, respectively, that of the plain tube. The heat transfer performance was evaluated and found to be 2.3 times that of the plain tube based on constant blower power.     

Role of the K 1 Meson in K 0 Photoproduction off the Deuteron

Neutral kaon photoproduction off the nucleon and deuteron has been reinvestigated by utilizing the new experimental data on both targets. An isobar model for elementary operator and impulse approximation for the reaction on the deuteron have been used. The available free parameters in the elementary model have been extracted from both elementary and deuteron data. In contrast to the elementary reaction, fitting the deuteron data requires an inclusion of weighting factor. The result indicates that the angular distribution of the elementary ${K^0\Lambda}$ process does not show backward peaking behavior.     

De Sitter and conformal field theories

After a brief review of conformal gravity and conformal anomalies in field theories, this paper deals with elementary particles and quantum field theories in 3 + 2 de Sitter space and in conformal space. The importance of working in realistic space-time rather than Euclidean or spherical models, is demonstrated. The parton-like representations Di and Rac give rise to gauge theories of scalar and spinor fields, and a theory of interacting massless particles with all spins. This theory (in 4-dimensional de Sitter space) is constructed on the basis cf a conformally invariant field theory in 3-dimensional space-time. Conformally invariant field theories in 3 and 4 dimensional are reviewed and examined, and new proposals are made for the interpretation of massless field theories in general.Invited talk presented at the International Symposium Selected Topics in Quantum Field Theory and Mathematical Physics, Bechyn, Czechoslovakia, June 14–19, 1981.     

An ab initio and density functional theory study of keto-enol equilibria of hydroxycyclopropenone in gas and aqueous solution phase

Keto-enol tautomerism in hydroxycyclopropenone (2-hydroxy-2-cyclopropen-1-one) has been studied using ab initio methods, the B3LYP functional of density functional theory, as well as complete basis set (CBS-QB3 and CBS-APNO) and G3 methods. Absolute and relative energies were calculated with each of the methods, whereas computations of geometries and harmonic frequencies for hydroxycyclopropenone and 1,2-cyclopropanedione were computed in the gas phase but were limited to HF, MP2 and CCSD levels of theory, and the B3LYP functional, in combination with the 6-31++G** basis set. Using the MP2/6-31++G** gas phase optimized structure, each species was then optimized fully in aqueous solution by employing the polarizable continuum model (PCM) self-consistent reaction field approach, in which HF, MP2 and B3LYP levels of theory were utilized, with the same 6-31++G** basis set. In both gas and aqueous solution phases, the keto form is higher in energy for all of the model chemistries considered. The presence of the solvent, however, is found to have very little effect on the bond lengths, angles and harmonic frequencies. From the B3LYP/6-31++G** Gibbs free energy, the keto-enol tautomeric equilibrium constant for 2-hydroxy-2-cyclopropen-1-one <==> 1,2-cyclopropanedione is computed to be K(T)(gas) = 2.35 x 10(-6), K(T)(aq) = 5.61 x 10(-14). It is concluded that the enol form is overwhelmingly predominant in both environments, with the effect of the solvent shifting the direction of equilibrium even more strongly in the favor of hydroxycyclopropenone. The almost exclusive nature of this species is attributed to stabilization resulting from aromaticity. Confirmation is provided by comparison of the simulated vibrational spectra of hydroxycyclopropenone with the measured infrared spectrum in an argon matrix.     

Selective hydrogenation and Suzuki cross‐coupling reactions of various organic substrates using a reusable polymer‐anchored palladium(II) Schiff base complex

A new polymer‐anchored Pd(II) Schiff base complex has been prepared and characterized using scanning electron microscopy, elemental analysis, atomic absorption spectroscopy, TGA and spectrometric methods such as diffuse reflectance spectra of solid and FT‐IR spectroscopy. This polymer‐anchored palladium catalyst shows excellent catalytic activity in the liquid‐phase hydrogenation reaction of styrene oxide to obtain selectively 2‐phenylethanol at normal pressure of hydrogen gas (1 atm.) at room temperature in DMF medium. We have also studied the liquid‐phase hydrogenation reaction of various organic substrates. The catalyst exhibits excellent catalytic activity for the Suzuki cross‐coupling of various substituted and non‐substituted aryl halides. The influences of various parameters were investigated to optimize reaction conditions. The reusability experiments show that the catalyst can be used five times without much loss in catalytic activity. Copyright © 2012 John Wiley & Sons, Ltd.     

Retarded intermolecular interactions involving diamagnetic molecules

Second‐ and third‐order time‐dependent perturbation theory within the multipolar framework of nonrelativistic quantum electrodynamics is used to calculate the retarded dispersion interaction between two diamagnetic molecules, a diamagnetic molecule and a magnetic‐dipole susceptible molecule, and a diamagnetic molecule and an electric‐quadrupole polarizable molecule. New expressions for the energy shift valid for all intermolecular separation distances, R, beyond the region of overlap of molecular electronic wave functions and applicable to a pair of randomly oriented molecules in the ground electronic state are given. The R‐dependent behavior of the far‐zone limit of the interaction energies is also examined. © 2000 John Wiley & Sons, Inc. Int J Quant Chem 78: 437–442, 2000     

Probing molecular conformations with electron momentum spectroscopy: the case of n-butane.

High-resolution (e,2e) measurements of the valence electronic structure and momentum-space electron density distributions of n-butane have been exhaustively reanalyzed in order to cope with the presence of two stable structures in the gas phase, namely the all-staggered and gauche conformers. The measurements are compared to a series of Boltzmann-weighted simulations based on the momentum-space form of Kohn-Sham (B3LYP) orbital densities, and to ionization spectra obtained from high-level [ADC(3)] one-particle Green's Function calculations. Indubitable improvements in the quality of the simulated (e,2e) ionization spectra and electron momentum profiles are seen when the contributions of the gauche form of n-butane are included. Both the one-electron binding energies and momentum distributions consistently image the distortions and topological changes that molecular orbitals undergo due to torsion of the carbon backbone, and thereby exhibit variations which can be traced experimentally. With regard to the intimate relation of (e,2e) cross sections with orbital densities, electron momentum spectroscopy can therefore be viewed as a very powerful, but up to now largely unexploited, conformational probe. The study also emphasizes the influence of thermal agitation in photoionization experiments of all kind.