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Synthesis, characterization, E/Z-isomerization, DFT, optical and 1BNA docking of new Schiff base derived from naphthalene-2-sulfonohydrazide


 
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1. Title Title of document Synthesis, characterization, E/Z-isomerization, DFT, optical and 1BNA docking of new Schiff base derived from naphthalene-2-sulfonohydrazide
 
2. Creator Author's name, affiliation, country A. Abu-Rayyan
 
2. Creator Author's name, affiliation, country M. Suleiman
 
2. Creator Author's name, affiliation, country A. Daraghmeh
 
2. Creator Author's name, affiliation, country A. Al Ali
 
2. Creator Author's name, affiliation, country A. Zarrouk
 
2. Creator Author's name, affiliation, country K. Kumara
 
2. Creator Author's name, affiliation, country A. Sawafta
 
2. Creator Author's name, affiliation, country I. Warad; Israel
 
3. Subject Discipline(s)
 
3. Subject Keyword(s) Sulfonohydrazide; Schiff base; optical; docking; spectral
 
4. Description Abstract The novel N'-((1H-indol-2-yl)methylene)naphthalene-2-sulfono-hydrazide Schiff base (S.B.) ligand was produced via condensation of 1H-indole-2-carbaldehyde with naphthalene-2-sulfonylhydrazide in a high yield. S.B. was then examined using several physicochemical techniques, and the steric structure was consequently confirmed. The highest B3LYB/DFT level theory was used to optimize the 3D E/Z-isomers structure. The stereoisomers computation demonstrated slightly stable E isomers outperformed by Z-one. The ligand displayed decent photosynthetic mid-bandgap semiconductors optical activate range material, and both the E and Z isomers bound to 1BNA DNA recorded many interactions.
 
5. Publisher Organizing agency, location
 
6. Contributor Sponsor(s)
 
7. Date (YYYY-MM-DD) 10-05-2023
 
8. Type Status & genre Peer-reviewed Article
 
8. Type Type
 
9. Format File format PDF
 
10. Identifier Uniform Resource Identifier https://revues.imist.ma/index.php/morjchem/article/view/39715
 
10. Identifier Digital Object Identifier (DOI) https://doi.org/10.48317/IMIST.PRSM/morjchem-v11i3.39715
 
11. Source Title; vol., no. (year) Moroccan Journal of Chemistry; Vol 11, No 3 (2023): pp. 579-896
 
12. Language English=en en
 
13. Relation Supp. Files
 
14. Coverage Geo-spatial location, chronological period, research sample (gender, age, etc.)
 
15. Rights Copyright and permissions Copyright (c) 2023 Moroccan Journal of Chemistry