We have developed a new idea to synthesize key intermediate molecule by utilizing deep eutectic solvent (DES) and ultrasound in a multistep reaction to ensure process cost-effective. Key intermediate (3) and final compounds (4a-n) were synthesized in a higher yield of 95% and 80-88% respectively.Further, final compounds (4a-n) were assessed for their anti-inflammatory, analgesic, ulcerogenic and lipid peroxidation.The compounds 4f, 4g, 4j, 4l, and 4m showed good anti-inflammatory activity, while 4f, 4i, and 4n exhibited very good analgesic activity ascompared to the standard drug. The ulcerogenicity of selected compounds was far less than the indomethacin. The ligands had also shown a good docking score (4f = -6.859 and 4 n= -7.077) as compared to control indomethacin (-6.109).State-of-art DFT theory was used to validate the lipid peroxidation mechanism of the active compoundswhich was in good agreement with the variations of BDEs and IP of the tested compounds.

Neonicotinoids are considered to be one of the important classes of insecticides used at the present time. In this study the partial least squares (PLS) approach is applied to a series of 25 nitromethylene, pyrrole- and dihydropyrrole-fused neonicotinoids to model their insecticidal activity against the cowpea aphids (Aphis craccivora). The neonicotinoid structures were optimized using molecular mechanics calculations (MMFF94s force field). Structural parameters calculated for the minimum energy conformers were related to the pLC₅₀ values. Linear modeling is performed using the PLS approach. A model having three components with good statistical results (R²X(Cum) = 0.963, R²Y(cum) = 0.870 and Q²(Cum) = 0.796) is obtained. Internal and external validation parameters were calculated to check the model validity. A robust PLS model with predictive power is obtained. It can be used for the prediction of new insecticides active against the cowpea aphids.

Several synthetic routes have been achieved to synthesize pyrane fused systems. As a follow up of earlier work, we hereby report the microwave assisted synthesis of key intermediate, pyrane fused acridine compounds 3a-f. It was obtained by treating α, β- unsaturated ketone 1a-f and malononitrile 2 in presence of piperidine with ethanolic solution at 50 °C under 200 W power. This method also optimized via microwave method using RSM methodology. Among the synthesized derivatives dimethoxy substituted pyrane fused acridine 3b was used as an intermediate for the synthesis of various heterocyclic molecules 4a-e. All the synthesized derivatives and target compounds were evaluated for cytotoxicity effect on human hepatoblastoma (HepG2) cell line and HDAC enzyme activity.

A series of eight di- and tri-halogenated N-arylcinnamanilides designed as anti-inflammatory and antimicrobial agents was prepared and characterized. Since it is known that lipophilicity significantly influences the biological activity of compounds, the hydro-lipophilic properties of these di- and tri-substituted N-arylcinnamanilides are investigated in the study. All the discussed derivatives of cinnamic acid were analysed using the reversed-phase high performance liquid chromatography method to measure lipophilicity. The procedure was performed under isocratic conditions with methanol as an organic modifier in the mobile phase using an end-capped non-polar C₁₈ stationary reversed-phase column. In the present study, the correlations between the logarithm of the capacity factor k and log P/Clog P values calculated in various ways as well as the relationships between the lipophilicity and the chemical structure of the studied compounds are discussed.

In this study a series of nine 3-hydroxynaphthalene-2-carboxanilides, disubstituted on the anilide ring by fluorine, chlorine and bromine in various positions, was prepared by microwave-assisted synthesis and characterized. The compounds were tested for their activity related to the inhibition of photosynthetic electron transport (PET) in spinach (Spinacia oleracea L.) chloroplasts. The PET-inhibiting activity of the compounds was within a wide range, but rather moderate; the highest activity within the series of the compounds was observed for N-(3,5-difluorophenyl)-3-hydroxynaphthalene-2-carboxamide. The compounds were found to inhibit PET in photosystem II.

In recent years, heterogeneous semiconductor photocatalysts have attracted great attention in the arena of environmental remediation and solar energy conversion; because, sunlight energy is a renewable, cheap, and accessible source of energy and also converting solar energy to chemical energy can be declined the energy crisis and global warming. The development of visible light heterogeneous photocatalysts with high efficiency and chemical stability is important for catalysis researchers. Among different types of semiconductor material, polymeric graphitic carbon nitride (g-C₃N₄) with a medium band gap of about 2.7 eV has been widely applied in photodegradation of organic pollutants, water splitting, CO₂ reduction, solar cells, energy storage, and organic synthesis. Unfortunately, due to the high rate recombination of photoinduced carriers, the photocatalytic performance of the bare g-C₃N₄ is still poor. Hence, many strategies including metal doping, noble metal deposition, and coupling with semiconductor composites have been employed to modify g-C₃N₄. Herein, we report the synthesis of g-C₃N₄/CuWO₄ nanocomposite via a hydrothermal process. The prepared visible-light-driven nanocomposite exhibited an enhanced photocatalytic activity compared with bare g-C₃N₄ for the degradation of methylene blue (MB) under LED light irradiation.

A series of 1,3,5-triazine derivatives, incorporating aminobenzenesulfonamide, aminoalcohol, piperazine, chalcone, or stilbene structural motifs were evaluated as potential antioxidants. The compounds were prepared by using step by step nucleophilic substitution of chlorine atoms in starting 2,4,6-trichloro-1,3,5-triazine. Reactions were catalyzed by Cu(I)-supported on a weakly acidic resin. The radical scavenging activity was determined in terms of %inhibition activity and IC₅₀, using the ABTS method. Trolox and ascorbic acid (ASA) were used as standards. In the lowest used concentration 1x10^-4 M, the %inhibition activity at time 0 min was comparable with both standards at least for 10 compounds. After 60 min compounds 1, 2, 9 and 25 showed nearly twice %inhibition (73.44 – 87.09 %) in comparison with standards (Trolox = 34.96 %; ASA = 29.09 %). Values of IC₅₀ correlated with %inhibition activity. For compounds 1, 2, 9 and 25 values of IC₅₀ in time 60 min (17.16 – 27.78 μM) were 5 times lower than IC₅₀ of both standards (Trolox = 178.33 μM; ASA = 147.47 μM). Based on these results, the presented 1,3,5-triazine derivatives and their analogs have a high potential in the treatment of illnesses caused or related to oxidative stress.

We report characterization data of novel graphene-like materials prepared by new cheap and environmentally friendly synthetic methods. FT-IR, Raman and X-ray photoelectron spectroscopy, scanning electron microscopy and thermal and elemental analysis methods were used to describe features of novel graphene-like materials and obtained data were compared with the data of commercial standards.

It was found that employment of gentle oxidizing agents supported by ultrasound action instead of harsh oxidizers and strongly acidic solutions provides a-few-layer graphene oxides with low-defect layers in high yields. Although keeping the same level of oxidation like commercial standards new products are more stable due to a lower damage of carbon layers. Obtained products can then be further modified to reduced graphene oxides or amine-modified derivatives. All of the characterization data are presented and discussed in the article.

Sulfonamides are very important scaffold in design of different compounds with potential biological activity. They are the basis of several groups of drugs and could be called sulfa drugs. Starting from this fact, we wanted to synthesize some new types of sulfonamides, prepared from derivatives of natural product vanillin. In light of this, we synthesized dehydrozingerone, 4-(4-hydroxy-3-methoxyphenyl)-3-buten-2-one, and its alkyl derivatives. These compounds served as good substrates in the synthesis of new sulfonamide compounds. The structures of the new compounds were determined by IR and NMR methods. Cytotoxicity screening of fourteen new organic compounds against SW480, Hela and MRC-5 was measured by colorimetric MTT assay after 48h of treatment. Cytotoxicity ratio (CR) was calculated as % of cytotoxicity of each compound on normal cells and % of cytotoxicity of the same compounds on tumor cell line. CR is pointed to some new compounds as promising candidates for further experiments.

Adenine complexes were prepared with some of the first series transition metals in a stoichiometric ratio of 1 : 2 ( Mⁿ⁺: L), where Mⁿ⁺ = Mn²⁺, Fe³⁺, Co²⁺, Ni²⁺, Cu²⁺, Zn²⁺, and Cd²⁺ ions. The Complexes were characterized by the physicochemical and spectroscopic techniques as electric conductivity, metal contents, IR, UV–Visible, and molar conductance techniques. The stoichiometric ratios of the synthesized complexes were confirmed by using molar ratio method. The dissociation constant of adenine ligand was determined spectrophotometrically. Solvent effect on the electronic spectra of the adenine ligand was examined using solvents with different polarities. The biological activity of adenine ligand and its metal complexes were tested in vitro against some selected species of fungi and bacteria. The results showed a satisfactory spectrum against the tested organisms.