Density functional theory with the basis set of 6-31+G(d) was used to investigate on the carbon nano layers, C(sp2), potential as a drug delivery system for transferring of anti-cancer drug temozolomide to the target tissue. In order to elucidate the possibility of drug transmission by utilizing a carrier, the mechanisms of direct drug degradation, and loaded drug on the carrier are analyzed and examined completely. Two possible and different pathways for direct drug hydrolysis have been considered. According to obtained results activation barriers of these two pathways are 62.17 and 72.10 kcal mol^-1, and 64.30 and 70.10 kcal mol^-1 for two gas mode and also two aqueous solvent conditions respectively. By comparison of outcomes, it can be found out that these activation barriers for both degradation pathways are significantly greater than the activation barriers for drug separation from the surface of carbon carrier (18.59 and 51.92 kcal mol^-1 for gas mode and 11.79 and 44.67 kcal mol-1 for aqueous solvent). Therefore, by studying the achieved outcomes, it can be deduced that separation and releasing of the drug from the carrier occurs faster kinetically than direct degradation of temozolomide, so the drug can reach to the target before direct decomposition.

Pentyl 2-(1H-indole-2-carboxamido)benzoate (5) is obtained in good yield as stable crystals by reaction of pentyl 2-amino benzoate (6) with indole-2-carbonyl chloride acid (7) in the presence of pyridine. The crystal structure of 5 confirms the presence of intramolecular hydrogen bonding (N-H…O) which produces a six-membered ring, and the molecules are linked together by intermolecular hydrogen forces (N-H…O).

Reaction of methyl 2-aryl-5-(chlorosulfonyl)-1,3-oxazole-4-carboxylates with 1H-pyrazol-5-amines and 1H-1,2,4-triazol-5-amines proceeds with the participation of endocyclic aminoazole nitrogen atoms to yield products containing a primary amino group. Being treated by sodium hydride these products undergo a further transformation into the tricyclic compounds. It has been shown that the cyclocondensation pathway includes the Smiles rearrangement with extrusion of SO2 followed by the elimination of MeOH. This reaction sequence is a convenient approach to the synthesis of new annulated [1,3]oxazolo[5,4-d]pyrimidine derivatives.

An efficient, three-component, catalyst free synthesis of dipyrazolo[1,5-a:3',4'-d]pyramid scaffolds has been carried out using 3-methyl-1H-pyrazol-5(4H)-one (1), 5-amino pyarazole (2a-b) and substituted aromatic aldehydes. The reaction underwent cyclocondensation reaction in reflux condition with moderate to good (62%–90 %) yields. The twenty newly prepared molecules were analyzed by means of 1H & 13C NMR, Mass, and IR spectroscopies and their activities against the bacterial and fungal strains were screened. Some of tested compounds have shown excellent antibacterial activities while another four were found to have good antifungal activity.

In this article, magnetically nanoparticles (MNPs) of CuFe2O4 were prepared and characterized using Fourier transform infrared spectroscopy, scanning electron microscopy, X-ray diffraction and transmission electron microscopy techniques. Super paramagnetic CuFe2O4 was used as an efficient catalyst for green formylation of structurally diverse alcohols to the corresponding formyl esters using formic acid as a solvent (60-70 °C). All reactions were carried out successfully within 1-120 min to afford the products in 76-96 % yields. Reusibility of CuFe2O4 MNPs was examined 5 times without significant loss of its catalytic activity.

The current study presents the synthesis of thiophene-appended pyrazoles through 3+2 annulations of chalcones 3(a-g)with aryl hydrazine hydrochlorides 4(a-d) in acetic acid (30%) under reflux conditions produced the thiophene-pyrazole hybrids 5(a-g) in good yields. Structures of synthesized new pyrazoles were confirmed by spectral studies, and elemental analysis. Further, preliminary biological evaluation studies show that compounds 5b and 5f having chloro substitution only in the thiophene ring exhibited excellent inhibition (12.5-25.0 µg/mL) against all the tested organisms in comparison with that of the standard. Compounds, 5a, 5c and 5g having electronegative chloro substitutions each in the aromatic and thiophene rings showed excellent (12.423-31.213 µg mL^-1) DPPH radical scavenging potencies. The synthesis of pyrazoline derivatives and the efficacy of some of the synthesized molecules as antimicrobial and antioxidant agents validate the significance of this study.

Aripiprazole is a widely used antipsychotic approved by the FDA (Food and Drug Administration) in 2002. Methods for preparation of aripiprazole mainly involve the use of expensive and toxic solvents, and the reaction time can be even several hours long. Our method allows to obtain aripiprazole with a yield of approximately 70–80% over just a few minutes using solvent-free conditions in the presence of PTC (Phase Transfer Catalysts) and microwave radiation.

In this paper, the synthesis of arylidene heterobicyclicpyrimidinones and thiones is reported by condensation of aromatic aldehydes, cyclopentanone, and urea or thiourea in the present of FePO4 as the green and recyclable catalyst. Using solvent-free conditions, non-toxic and inexpensive materials, simple and clean work-up, relatively short reaction times, and high yields of the products are the advantages of this method. Also, some new derivatives of arylidene dihydropyrimidinones and thiones were prepared by this green method.

Kinetic study of oxidation of toluidine blue (TB+) by periodate was carried out in aqueous medium and also in the cetyl trimethyl ammonium bromide (CTAB) reverse micellar medium. In both the media reaction obeys first order kinetics with respect to each of the reactants. In the reverse micellar medium, the reaction is forty times faster compared to aqueous medium under identical experimental conditions. The pronounced acceleration is accounted for by the lower micro polarity and the concentration effect present in the bound water of reverse micelles. In CTAB reverse micellar medium, the pseudo first order rate constant (k’) of the reaction is almost constant at all values of W, {W=[H2O]/[CTAB]} indicating that the reaction takes place on the micellar surface and results were explained by modified Berezin pseudo phase model..

A clean and efficient, mediated in water and assisted by ultrasound method for the synthesis of a series of N-substituted 1-amino-3-ferrocenyl-3-oxoprop-1-enes starting from acetyl ferrocene was developed. Our approach offers shortening of the reaction time under the mild reaction conditions and easy work up procedure.