The ratios of E/Z isomers of sixteen synthesized 1,3-dihydro-3-(substituted phenylimino)-2H-indol-2-one were studied using experimental and theoretical methodology. Linear solvation energy relationships (LSER) rationalized solvent influence of the solvent-solute interactions on the UV-Vis absorption maxima shifts (ν) of both geometrical isomers using the Kamlet-Taft equation. Linear free energy relationships (LFER) in the form of single substituent parameter equation (SSP) was used to analyze substituent effect on pK, NMR chemical shifts and ν values. Electron charge density was obtained by the use of Quantum Theory of Atoms in Molecules, i.e. Bader's analysis. The substituent and solvent effect on intramolecular charge transfer (ICT) were interpreted with the aid of time-dependent density functional (TD-DFT) method. Additionally, the results of TD-DFT calculations quantified the efficiency of ICT from the calculated charge-transfer distance (D) and amount of transferred charge (Q). The antimicrobial activity was evaluated using broth microdilution method. 3D QSAR modeling was used to demonstrate the influence of substituents effect as well as molecule geometry on antimicrobial activity.
Poly(ethylene terephthalate) (PET), as one of the most used engineering thermoplastic, has wide application in automobile industry, electrics, food packaging, bottle containers and textile industry, causing the increase of the world consumption of PET twice in a period of ten years [1]. The widespread use of PET imposes solution of the plastic waste problem through recycling and reprocessing method classified as primary, secondary, tertiary and quaternary recycling [2]. The products of tertiary PET recycling, especially glycolytic PET depolymerization
The glycolytic recycling of waste PET presents a challenge for the production of secondary value-added products, such as alkyd resins. A way to overcome unsatisfactory mechanical, drying and chemical resistance properties met with alkyds obtained from difunctional glycolyzates, was proposed. Waste PET was glycolyzed using multifunctional alcohols: glycerol (G), trimethylolethane (TME), trimethylolpropane (TMP) and pentaerythritol (PE), giving tetra-and hexa-functional glycolyzates and, for comparison, using diethylene glycol (DEG), propylene glycol (PG) and dipropylene glycol (DPG) giving di-functional glycolyzates. The obtained glycolyzates were examined by 1 H and 13 C NMR, FTIR spectroscopy and elemental analysis and further used in the synthesis of alkyd resins. The properties of the prepared alkyd resins (acid, hydroxyl and iodine values, color, average molar masses and molar mass distributions, viscosity, drying time, hardness, flexibility, gloss, adhesion and chemical resistance) were investigated with respect to the functionality and the structure of the used glycolyzates. Alkyd resins derived from multifunctional glycolyzates (TME and TMP) showed considerably enhanced properties compared to those produced from difunctional glycolyzates and also to conventional general purpose resins.Please do not adjust margins Please do not adjust margins decreased the branching degree. Future work on this matter will involve the preparation, analysis and application of lacquers, paints and anticorrosive coatings based on the presented alkyd resins.
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