Room temperature synthesis of novel azine-linked covalent organic framework: molecular docking, theoretical investigation studies, and antimicrobial activity
Abstract
In this study, an azine-linked covalent organic framework (COFTH) was synthesized via a Schiff base reaction between terephthaldehyde and hydrazine hydrate at room temperature. COFTH was promoted in dioxane at room temperature, compared with traditional solvothermal reactions in organic solvents. This synthesis has the advantages of large-scale production, simplicity, safety, low cost, and short reaction time. The synthesized COFTH has a large surface area, excellent thermal and chemical stability. It has a large surface area of 118.358 m ² g ⁻¹ with a pore size of 1.80 nm and a pore volume of 0.113 cm ³ /g. It showed higher sensitivity as an antibacterial agent than tobramycin against, gram‐negative bacterial ( Escherichia coli and Pseudomonas aeruginosa) and gram-positive bacteria ( Staphylococcus aureus , Enterococcus faecalis). Moreover, molecular docking analysis of COFTH was performed to understand the molecular interaction with different proteins and their reactivity with COFTH. In addition, the computational calculation studies of COFTH, terephthaldehyde, and NH ₂ NH ₂ were performed to elucidate their physical properties, FMO, ESP, and MEP. Furthermore, the correlation of ¹ H NMR and ¹³ C NMR was confirmed via DFT/WB97XD/6–311(G) basis set.
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BibTeX
@article{abdelnasser2026room,
title = {{Room temperature synthesis of novel azine-linked covalent organic framework: molecular docking, theoretical investigation studies, and antimicrobial activity}},
author = {Eman Abdelnasser and Asmaa M. Fahim and Morad M. El-Hendawy and Daniel T. Oyekunle and Abd El-Motaleb Mosad Ramadan and Ahmed I. Khodair},
journal = {Scientific Reports},
year = {2026},
month = oct,
doi = {10.1038/s41598-026-69092-3},
url = {https://www.nature.com/articles/s41598-026-69092-3},
note = {CC BY 4.0},
}
RIS
TY - JOUR
TI - Room temperature synthesis of novel azine-linked covalent organic framework: molecular docking, theoretical investigation studies, and antimicrobial activity
AU - Eman Abdelnasser
AU - Asmaa M. Fahim
AU - Morad M. El-Hendawy
AU - Daniel T. Oyekunle
AU - Abd El-Motaleb Mosad Ramadan
AU - Ahmed I. Khodair
PY - 2026
DA - 2026/10/23
JO - Scientific Reports
DO - 10.1038/s41598-026-69092-3
UR - https://www.nature.com/articles/s41598-026-69092-3
AB - In this study, an azine-linked covalent organic framework (COFTH) was synthesized via a Schiff base reaction between terephthaldehyde and hydrazine hydrate at room temperature. COFTH was promoted in dioxane at room temperature, compared with traditional solvothermal reactions in organic solvents. This synthesis has the advantages of large-scale production, simplicity, safety, low cost, and short reaction time. The synthesized COFTH has a large surface area, excellent thermal and chemical stability. It has a large surface area of 118.358 m ² g ⁻¹ with a pore size of 1.80 nm and a pore volume of 0.113 cm ³ /g. It showed higher sensitivity as an antibacterial agent than tobramycin against, gram‐negative bacterial ( Escherichia coli and Pseudomonas aeruginosa) and gram-positive bacteria ( Staphylococcus aureus , Enterococcus faecalis). Moreover, molecular docking analysis of COFTH was performed to understand the molecular interaction with different proteins and their reactivity with COFTH. In addition, the computational calculation studies of COFTH, terephthaldehyde, and NH ₂ NH ₂ were performed to elucidate their physical properties, FMO, ESP, and MEP. Furthermore, the correlation of ¹ H NMR and ¹³ C NMR was confirmed via DFT/WB97XD/6–311(G) basis set.
SN - 2045-2322
ER -