Abstract:
Natrual products modification is one of the key area of synthetic organic chemistry for the compleshment of valuable chemical building blocks that have prized medicinal significance. Herein, lauric acid based hydrazones: (E)-N'-(2-nitrobenzylidene) dodecanehydrazide (NBDH), (E)-N'(naphthalen-1-ylmethylene) dodecanehydrazide (NMDH), and (E)-N'-(4-fluorobenzylidene) dodecanehydrazide (FBDH)” were synthesized and characterized using spectroscopic techniques. The newly synthesized lauric acid based hydrazones were screened for their anticancer and antioxidant potentioal. Antioxidants showed their activity by inhibiting the oxidative chain reactions that produce reactive oxygen species. The antioxidant activity showed that NBDH exhibited the maximum DPPH inhibitory activity when compared with that of NMDH and FBDH whereas the anticancer activity showed that FBDH ehibited maximum percent viability when compared to that of NBDH and NMDH . The reactivity and biological needs of the synthesized compound NBDH, NMDH, and FBDH were met by performing geometrical, FT-IR vibrational, UV-Visible, global reactivity parameters (GRP), MEP, FMO, NBO, ELF, LOL and nonlinear optical (NLO) analysis at DFT/B3LYP/6-311+G(d,p) level. NBO analysis confirmed the existence of extended conjugation and intramolecular charge transfer among NBDH, NMDH, and FBDH are from lowest gap p?p* which are in line with FMO results where successful charge transfer occurred from HOMO?LUMO. GRP analysis confirmed the potential of NBDH, NMDH, and FBDH for biological, electronic and NLO applications. It is clear from the comparative analysis of the urea molecule that NBDH, NMDH, and FBDH are all components of fine NLO properties.
Page(s):
412-412
DOI:
DOI not available
Published:
Journal: Abstract Book on International Conference on Food and Applied Sciences (ICFAS-23) 3-5 August 23, Volume: 0, Issue: 0, Year: 2023
Keywords:
Anticancer
,
Spectroscopic Analysis
,
Lauric acid based Hydrazones
,
Antioxedant
,
DFT study