Spectroscopic properties and ab initio calculations on the structure of erbium–zinc-borate glasses and glass ceramics

Glasses in the (Er₂O₃)_x·(B₂O₃)_(60 ? x)·(ZnO)₄₀ system (0 ≤ x ≤ 15 mol%) have been prepared by the melt quenching technique. X-ray diffraction, FTIR spectroscopy, UV-VIS spectroscopy and ab initio calculations studies have been employed to study the role of Er₂O₃ content on the structure of the investigated glass system.X-ray diffraction and infrared spectra of the glasses reveal that the B–O–B bonds may be broken with the creation of new non-bridging oxygen ions facilitating the formation of Er–O–B linkages. The excess of oxygen can be accommodated in the network by the conversion of sp² planar [BO₃] units to the more stable sp³ [BO₄] tetrahedral structural units. The linkages of the [BO₄] structural units can polymerize in [B₃O₉]^? 9 cyclic trimeric ions which will produce the ErBO₃ crystalline phase. An increase of the efficiency corresponding to the ⁴I_15/2 state to ⁴I_11/2 state (4f–4f) transitions of Er^+ 3 ions was observed for the erbium oxide richest glasses.Ab initio calculations on the structure of the matrix network show the thermodynamic instability of the [BO₄], [ZnO₄] and [Zn₄O] structural units. Formation of three-coordination oxygens was necessary to compensate shortage of oxygens from zinc ions.     

The Effect of the Substituents of β-Ketoiminato Ligand of Copper(II) and Nickel(II) Complexes on their Retention on Thin Layers of Polyacrylonitrile

JPC – Journal of Planar Chromatography – Modern TLC - The effect of substituents of the β-ketoiminato ligand of 24 cop-per(H) and nickel(H) complexes on hRF values obtained by TLC...     

Mathematical Analysis of the Formation of Molecule Sizes on a Spinning Disc Reactor

A mathematical analysis of the behaviour of the molecular weights of addition polymers during a polymerisation process is described. Spinning disc reactor (SDR) technology has been shown to yield significant improvements in terms of polymerisation rates whilst retaining close control of the molecular weights and the molecular weight distributions^[1,2]. However, understanding of the kinetics of the polymerisation process on a SDR remains unresolved. One of the questions to be addressed concerns the sizes of the macromolecules preferably formed during the polymerisation process. To address this question, a mathematical analysis of the observed trends in number and weight average molecular weight, monomer concentration and polydispersity during the polymerisation process on a SDR has been undertaken. To validate the results, experimental data obtained from benzoyl peroxide initiated free radical polymerisation of styrene on a SDR^[2] was used. It was concluded that most of the monomers consumed are in the growth of smaller size chains.     

Separation and Identification of Piperine and Chavicine in Black Pepper by TLC and GC–MS

JPC – Journal of Planar Chromatography – Modern TLC -     

Infrared spectroscopic and DFT investigations of the vanadate–tellurate glasses structures

Vanadate–tellurate vitreous systems with composition (1 ? x)TeO₂·xV₂O₅ where x = 0.3 and 0.4 have been prepared by the conventional melt-quench method. The structural aspects have been investigated using FTIR spectroscopy and the density functional theory (DFT) calculations.The present study provides the interesting information concerning devitrification behavior of the vanadate–tellurate vitreous system which occur Te₂V₂O₉ crystalline phase. The structure of the heat-treated glasses was found to consist mainly of rings containing [TeO₃], [TeO₄], [VO₄] and some [VO₅] structural units.     

Freeze vs. Spray Drying for Dry Wild Thyme (Thymus serpyllum L.) Extract Formulations: The Impact of Gelatin as a Coating Material

Freeze drying was compared with spray drying regarding feasibility to process wild thyme drugs in order to obtain dry formulations at laboratory scale starting from liquid extracts produced by different extraction methods: maceration and heat-, ultrasound-, and microwave-assisted extractions. Higher total powder yield (based on the dry weight prior to extraction) was achieved by freeze than spray drying and lower loss of total polyphenol content (TPC) and total flavonoid content (TFC) due to the drying process. Gelatin as a coating agent (5% w/w) provided better TPC recovery by 70% in case of lyophilization and higher total powder yield in case of spray drying by diminishing material deposition on the wall of the drying chamber. The resulting gelatin-free and gelatin-containing powders carried polyphenols in amount ~190 and 53–75 mg gallic acid equivalents GAE/g of powder, respectively. Microwave-assisted extract formulation was distinguished from the others by a higher content of polyphenols, proteins and sugars, higher bulk density and lower solubility. The type of the drying process mainly affected the position of the gelatin-derived -OH and amide bands in FTIR spectra. Spray-dried formulations compared to freeze-dried expressed higher thermal stability as confirmed by differential scanning calorimetry analysis and a higher diffusion coefficient; the last feature can be associated with the lower specific surface area of irregularly shaped freeze-dried particles (151–223 µm) compared to small microspheres (~8 µm) in spray-dried powder.