Two new compounds - a mononuclear nickel(II) compound with di-p-tolylglyoxime (DpatH2) - [Ni(DpatH2)3]SO4∙1,4-H2bdc∙2.5DMF∙H2O (1) and a binuclear manganese(II) compound with dianilineglyoxime (DAnH2) - [Mn2(DAnH2)2(1,3-bdc)2(DMSO)4] (2) (1,4- and 1,3-bdc are 1,4- and 1,3-benzenedicarboxylic acids, respectively) have been obtained. The IR spectra of the complexes were studied and molecular and crystal structures of the compounds were determined by single crystal X-ray diffraction method. Compound 1 has an ionic structure and contains a complex cation in which three neutral DpatH2 ligands are coordinated to the nickel atom. Complex 2 is a molecular binuclear complex in which, in addition to the two neutral ligands DAnH2 and four DMSO molecules, two 1,3-benzenedicarboxylic anions are coordinated to the metal atoms in a bridging manner.

The title compound 3-(2,4,6-timethyl-phenylamino)-but-2-enoate was obtained by condensation reaction of ethyl acetoacetate and 2,4,6-trimethyl-phenylamine. X-ray structural analysis identified the structure of the synthetized β-enaminoester, NMR spectroscopy complemented it, and the structure stabilized by intramolecular interactions. The intermolecular contacts were further analysed by the mapping of contacts descriptors dnorm, de, di, the shape-by-Shape index and surface property by electrostatic potential mapped on the Hirshfeld surface (HS). Data from density functional theory (DFT) was compared to experimental results for this process. Global reactivity factors such electronegativity, chemical hardness, potential, and softness were calculated using DFT. The effects of the molecular environment were accessed by analysing the electrostatic potentials surface mapped over the HS and the 3D-topology of energy frameworks. As a potential bioactive molecule, the physicochemical and ADME-Tox predictions were performed suggesting that compound 3 could be considered as promising drug candidate.

Metal nanoparticles that are widely studied in optoelectronics, catalysis, medicine, and sensors offer remarkable optical and electronic properties. To address the cost and environmental concerns associated with their synthesis, this study employs an environmentally friendly method using Laureus nobilis extract to produce silver and zinc nanoparticles, which are prominent in nanotechnology. This study includes investigations of factors such as reaction time, AgNO3/laurel ratio, Zn(Ac)2·H2O/laurel ratio and temperature in nanoparticle biosynthesis to optimize the process. The next stage was set to evaluate the photocatalytic performance of these nanoparticles, specifically against the methylene blue dye under dark and UV light conditions. Parameters such as pollutant decomposition, degradation rate, catalyst stability, and nanoparticle recovery were analysed. Structural characterization of the obtained nanoparticles was performed using UV-Vis, FTIR, SEM, and XRD techniques. The photocatalytic results showed significant degradation percentages for LB-AgNP (silver nanoparticles synthesized with Laureus nobilis extract) (97.5%) and LB-ZnNP (zinc nanoparticles synthesized with Laureus nobilis extract) (90.9%). LB-ZnNP showed superior performance. Therefore, LB-AgNP and LB-ZnNP are promising photocatalysts for water purification and the elimination of toxic organic pollutants.

The intricate dynamics of antioxidant interactions holds promise for innovating formulations to reduce patient antioxidants doses and prolong efficacy, these aspects being also important for other industrial applications, such as food preservation. In this context, the study presents data on the antioxidant interaction between ascorbic (AA) and dihydroxyfumaric acids (DHF) determined via DPPH method, by applying EPR spectroscopy. Two calculations methods used demonstrated strong and moderate synergistic effects, with antioxidant interaction parameter (AI) of 1.24 and 0.9, respectively. The type of antioxidant interaction is dependent on the concentration ratio of the ascorbic and dihydroxyfumaric acids, thus, at the mM DHF/mM AA ratios of 1.4 and 1.7 the highest synergistic effects with AI of 1.24 have been noticed, but at the mM DHF/mM AA ratio of 1 – an antagonistic effect with AI of 0.93 was registered.

A nanocomposite of chitosan and poly acrylic acid grafting multi-walled carbon nanotubes p(CS-co-AA)/MWCNTs was produced using free radical polymerization to study its efficiency in eliminating the antibiotic ofloxacin (OFL) from aqueous solutions. The synthesized nanocomposite material has undergone characterization using FTIR, XRD, FESEM, TEM, EDX, and Zeta potential techniques. The adsorption of OFL on the p(CS-co-AA)/MWCNTs has been evaluated using three established Langmuir, Freundlich, and Temkin isotherm models. The isotherm constant (KF) of 0.218 and the separation factor (R2) of 0.956 indicate strong and desirable adsorption of OFL on p(CS-co-AA)/MWCNTs with a concentration of 100 mg/L at a temperature of 293K and an acidic medium with a pH of 7.0. The primary cause of the reduction in OFL adsorption and dehydrogenation is the increase in pH level. The Van't Hoff equation indicates that the OFL adsorption process exhibits fast kinetics, as seen by a negative thermodynamic parameter ΔH of -0.012 kJ/mol. The pseudo-second-order kinetic model (R2= 1.00) confirms this observation. The results indicate that the synthesized nanocomposite can effectively remove OFL from polluted aqueous solutions.

A new heterometallic iron(III) compound, derivative of salicylic acid, catena–poly[bis(methanol)-bis(N,N–dimethylacetamide)–tris(m–salicylato)–bis(m–salicyl)–dicalcium(II) iron(III)], has been synthesized and characterized by infrared spectroscopy, single-crystal X-ray diffraction and elemental analysis. Single-crystal X-ray diffraction study revealed that synthesized compound forms an 1D coordination polymer with general formula {[FeCa2(Sal)2(SalH)3 (DMA)2(CH3OH)2]}n. The compound crystallizes in the P21/c space group of the monoclinic system with the following unit cell parameters: а= 9.76785(9), b= 37.3386(4), c= 13.82575(12) Å, β= 103.6421(9)°, Z= 4. The independent unit cell of the obtained compound contains one iron and two calcium ions, in which the iron(III) ion has an octahedral coordination sphere. The different coordination modes of the five molecules of salicylic anions revealed by IR analysis were confirmed by X-ray studies, showing that the salicylate anions play the role of bridging ligands and coordinate in three different ways, thus the carboxylic group forms bridges through three different coordination pathways, namely: bidentate, tridentate and pentadentate fashion.

This research systematically investigates the impact of porphyrin and chlorophyll dyes on Dye-Sensitized Solar Cells (DSSC) performance, aims to achieve maximum solar cell efficiency. This investigation involved the use of Fluorine-doped Tin Oxide (FTO) coating with TiO2–ZnO composite, incorporating Al doping, and introducing variations in the concentration of chlorophyll SP and porphyrin (2:2:0.1 and 2:2:0.2). Synthesis of Al-doped ZnO was carried out via the sol-gel method, which involves mixing and heating at 65°C, followed by degradation at 150°C. TiO2 and ZnO: Al composites were formed using the sonication method at 45°C for 60 minutes. This study evaluates the impact of dyes on the growth of TiO2 and ZnO: Al composites and examines their characteristics - including UV-Vis, band gap, current versus voltage curves, DSSC efficiency-using EDX, and FTIR analyses of solar cells. The DSSC efficiency testing utilizes a photon light source from a halogen lamp with an intensity of 328-580 lux. The results showed that DSSC based on TiO2–ZnO: Al + chlorophyll produced an efficiency of 13.3%, while porphyrin (2:2:0.1) and (2:2:0.2) produced an efficiency of 8.9% and 13.9%, respectively. In conclusion, this study shows that adding dye to the TiO2–ZnO: Al composite significantly improves DSSC performance and shows optimal characteristics. The highest DSSC efficiency of 13.9% underscores the interdependence of absorber layer quality with photovoltaic performance, providing valuable insights for future solar cell design and optimization.

This study introduces an environmentally sustainable approach for the synthesis of 3,4-dihydropyrimidin-2(1H)-ones (DHPMs), via the Biginelli reaction. A heterogeneous catalyst, Heteropolyacid-Clay (HPA-Clay), is developed by immobilizing H5PV2W10O40 on Montmorillonite KSF clay. The catalyst exhibits enhanced stability and catalytic efficiency, confirmed through X-ray powder diffraction and scanning electron microscopy. Utilizing a one-pot multi-component strategy under solvent-free conditions, various aldehydes, urea or thiourea, and ethylacetoacetate generate DHPMs with excellent yields and reduced reaction times. Catalysed by 2 mol% HPA-Clay, the process aligns with green chemistry principles, emphasizing cost-efficiency, environmental sustainability, and recyclability. The catalyst demonstrates consistent activity over multiple cycles, highlighting its potential for advancing Biginelli reactions.

Activated carbons have great applicability in the conditioning of wines: discoloration, removal of foreign taste and smell, correction of organoleptic parameters, etc. The purpose of this work was to compare the structural and sorption characteristics of local vegetal activated carbon obtained from apricot stones (AC-C, Republic of Moldova) with that of commercial activated carbons (Granucol® BI/GE/FA, Germany). The physico-chemical characteristics of studied activated carbons have been evaluated by standard methods (nitrogen sorption isotherms, IR spectroscopy, pH value of activated carbons suspension etc.) and the adsorption capacity by using methylene blue dye as a reference substance. Experimental data were analysed by theoretical models: Langmuir and Equilibrium isotherm models, and pseudo-first-order, and pseudo-second-order kinetic models. The adsorption capacity of the local activated carbon (AC-C, 690 mg/g) is higher by 30% than that of activated carbons from Granucol® series (approx. 535 mg/g).

The main purpose of this research was the synthesis of highly functionalized derivatives of (+)-larixol by combination of classical and nonconventional method, like dye-sensitized photooxidation with preservation of outside chain. As a result, a series of four new cycle B derivatives of (+)-larixol were obtained, including products of photooxidative dehydrogenation and [2+4] cycloaddition of singlet oxygen, compounds 7 and 8, respectively. The structure of all synthesized compounds was fully confirmed by spectral method (IR, 1H and 13C NMR) and for compound 8 containing endoperoxide functional group, additionally by single crystal X-ray diffraction analysis.