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Keywords = bisazomethines

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6 pages, 1334 KB  
Proceeding Paper
Synthesis and In Silico Screening of Biological Activity of Novel Bisazomethines Containing 1,3-Diazine Fragment: Perspectives in Organic Synthesis and Pharmaceuticals
by Aleksandr V. Dambaev, Denis A. Kolesnik, Igor P. Yakovlev, Tamara L. Semakova and Polina O. Levshukova
Chem. Proc. 2025, 18(1), 112; https://doi.org/10.3390/ecsoc-29-26907 - 13 Nov 2025
Viewed by 332
Abstract
Bridged 1,3-diazine bisazomethines were synthesized via the nucleophilic addition of phenylenediamines to 4,6-dihydroxypyrimidine-5-carbaldehydes in methanol/water. Structures were confirmed by NMR spectroscopy. In silico screening (PASS-online, CLC-pred, Antivir-pred, GUSAR-online) revealed broad bioactivity (antibacterial, antifungal, antiviral) and OECD Class 4 toxicity, indicating high safety and [...] Read more.
Bridged 1,3-diazine bisazomethines were synthesized via the nucleophilic addition of phenylenediamines to 4,6-dihydroxypyrimidine-5-carbaldehydes in methanol/water. Structures were confirmed by NMR spectroscopy. In silico screening (PASS-online, CLC-pred, Antivir-pred, GUSAR-online) revealed broad bioactivity (antibacterial, antifungal, antiviral) and OECD Class 4 toxicity, indicating high safety and therapeutic potential. Full article
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10 pages, 2133 KB  
Article
New Advanced Liquid Crystalline Materials Bearing Bis-Azomethine as Central Spacer
by Fowzia S. Alamro, Hoda A. Ahmed, Noha S. Bedowr, Muna S. Khushaim and Mohamed A. El-atawy
Polymers 2022, 14(6), 1256; https://doi.org/10.3390/polym14061256 - 21 Mar 2022
Cited by 15 | Viewed by 3303
Abstract
In this study, a homologous series of novel liquid crystalline compounds bearing the bis-azomethine central linkage (–CH=N-N=CH–), namely ((1E,1′E)-hydrazine-1,2-diylidenebis(methanylylidene))bis(4,1-phenylene) dialkanoate (In), was synthesized, and the mesophase and thermal properties were investigated theoretically and experimentally. The molecular structures of the prepared [...] Read more.
In this study, a homologous series of novel liquid crystalline compounds bearing the bis-azomethine central linkage (–CH=N-N=CH–), namely ((1E,1′E)-hydrazine-1,2-diylidenebis(methanylylidene))bis(4,1-phenylene) dialkanoate (In), was synthesized, and the mesophase and thermal properties were investigated theoretically and experimentally. The molecular structures of the prepared compounds were determined using elemental analysis, NMR, and FT-IR spectroscopy. The mesophase transitions were detected by differential scanning calorimetry (DSC), and the mesophases were identified using polarized optical microscopy (POM). The results indicated that the derivative with the shortest length (I5) was purely nematogenic, while the other homologues (I9 and I15) possessed SmC mesophases. The optimal geometrical structures of the investigated group were derived theoretically. The estimated results demonstrated that all homologues were mesomorphic, and their type depended on the length of the terminal chains. Computations based on density functional theory (DFT) were used to explain the experimental data. The calculated dipole moment, polarizability, thermal energy, and molecular electrostatic potential all showed that it was possible to predict the mesophase type and stability, which varied according to the size of the molecule. Full article
(This article belongs to the Section Polymer Applications)
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