Here, we report a facile route to the synthesizing of a new donor–acceptor complex, L3, using 4-{[(anthracen-9-yl)meth-yl] amino}-benzoic acid, L2, as donor moiety with anthraquinone as an acceptor moiety. The formation of donor–acceptor complex L3 was facilitated via H-bonding and characterized by single-crystal X-ray diffraction. The X-ray diffraction results confirmed the synthesized donor–acceptor complex L3 crystal belongs to the triclinic system possessing the P-1 space group. The complex L3 was also characterized by other spectral techniques, viz., FTIR and UV absorption spectroscopy, which confirmed the formation of new bonds between donor L2 moiety and acceptor anthraquinone molecule. The crystallinity and thermal stability of the newly synthesized complex L3 was confirmed by powdered XRD and TGA analysis and theoretical studies; Hirshfeld surface analysis was performed to define the type of interactions occurring in the complex L3. Interestingly, theoretical results were successfully corroborated with experimental results of FTIR and UV absorption. The density functional theory (DFT) calculations were employed for HOMO to LUMO; the energy gap (∆E) was calculated to be 3.6463 eV. The complex L3 was employed as a photocatalyst for the degradation of MB dye and was found to be quite efficient. The results showed MB dye degraded about 90% in 200 min and followed the pseudo-first-order kinetic with rate constant k = 0.0111 min⁻¹ and R² = 0.9596. Additionally, molecular docking reveals that the lowest binding energy was −10.8 Kcal/mol which indicates that the L3 complex may be further studied for its biological applications.

The main purpose of this study is to synthesize novel heterocyclic derivatives of fatty acids which are also biologically important. The simple, efficient and one-pot synthesis of two novel series of 1-long chain alkanoyl/alkenoyl/hydroxyalkenoyl-3-methyl-1H-pyrazol-5(4H)-ones 2(a–e) and 2-long chain alkenoyl/hydroxyalkenoyl-3H-phthalazin-1,4-diones 3(b–e) is achieved by the reaction of ethylacetoacetate/phthalic anhydride and long chain alkyl/alkenyl/hydroxyalkenyl hydrazides 1(a–e). Although some methods are available for the synthesis of phthalazindiones and pyrazolones, the development of a new synthetic method for the efficacious build up of heterocycles (phthalazindiones and pyrazolones) substituted with long alkanoyl/alkenoyl/hydroxyalkenoyl chain is an interesting challenge in the field of synthesis of novel compounds of fatty acids that includes heterocyclization and derivatization of fatty acids. Compounds 2(a–e) were synthesized by the cyclization reaction between ethylacetoacetate and long alkyl/alkenyl/hydroxyalkenyl chain hydrazides 1(a–e). Compounds 3(b–e) were synthesized by the reaction of phthalic anhydride and long alkenyl/hydroxyalkenyl chain hydrazides 1(b–e) in absolute ethanol/glacial AcOH. Structures of all the newly synthesized compounds have been elucidated by means of IR, 1H NMR, 13C NMR and MS. Newly synthesized compounds were evaluated for in vitro antibacterial and antifungal activities and their structure–activity relationship studies have been carried out

The title compound, C₄H₉N₅ ²⁺·2NO₃ ⁻, crystallizes in the monoclinic crystal system, space group P2₁/c. The asymmetric unit, which comprises a diprotonated triaminopyrimidine dication and two nitrate anions, has an almost planar geometry with a dihedral angle of 0.92 (4)° between the mean plane of the cation and that defined by both anions. In the crystal, hydrogen-bonding interactions between the 2,4,6-triaminopyrimidine cation and the nitrate anions lead to a one-dimensional supramolecular network with weak anionic interactions forming a three-dimensional network. These interactions were investigated using Hirshfeld surface analysis, which indicates that the most important contributions for the packing arrangement are from O...H/H...O (53.2%), N...H/H...N (12.5%) and C...H/H...C (9.6%) interactions. Energy framework analysis showed that of the components of the framework energies, electrostatic repulsion (E _rep) is dominant.

Several biochemical reactions occur during the interaction of metal complexes and proteins due to conformational modifications in the structure of the protein, which provide fundamental knowledge of the effect, mechanism, and transport of many drugs throughout the body. Here, we report the synthesis, identification, and impact of the 3-dimensional Copper(II)sulfanilic acid coordination polymer (CP 1) on interactions with bovine serum albumin (BSA). The CP 1 was synthesized via a simple hot stirring method, and the single crystal XRD confirms the effective bonding interactions between metal and organic ligand, forming a crystalline polymeric chain and the topological study shows the sql type of underlying net topology. Powder XRD, Fourier transform infrared spectroscopy, and thermogravimetric analysis were also performed. Moreover, DFT/B3LYP calculations provide chemical precision for the resulting complex. Further, the changes that occur in the secondary structure of protein when CP 1 binds with BSA as well as its binding capacity were investigated via circular dichroism analysis and spectroscopic methods such as UV-absorption spectroscopy and fluorescence spectroscopy, respectively. The CP 1/BSA complex melting point was also measured, and its temperature-dependent heat denaturation was studied along with molecular docking.Communicated by Ramaswamy H. Sarma.