A NOVEL tetradentate Schiff's base ligand Bis(furfural)-1,8-naphthalenediimine (L) was synthesize... more A NOVEL tetradentate Schiff's base ligand Bis(furfural)-1,8-naphthalenediimine (L) was synthesized and characterized by physical, analytical and spectral data. Complexes of Co(II), Ni(II), Cu(II) and Zn(II) of general composition MLX 2 [L = C 20 H 14 N 2 O 2 and X = Cl-, NO 3 and OAc-] have been synthesized in 1:1 molar ratio of metal to ligand. The elemental analysis, molar conductance measurements, magnetic susceptibility measurements, Mass, IR, UV-Visible, NMR and EPR spectral studies of the compounds led to the conclusion that the ligand acts in a tetradentate manner in Co(II), Ni(II) and Cu(II) complexes, while in bidentate fashion in Zn(II) complex. Octahedral geometry was assigned to Co(II) and Ni(II) complexes, Tetragonal geometry for Cu(II) complexes and tetrahedral geometry for Zn(II) complexes of the Schiff's base ligand. The thermal studies suggested that the complexes are more stable as compared to ligand and absence of coordinated water molecules in metal complexes. The geometries of Schiff's base and metal complexes were optimized with respect to the energy taking the 6-31+g(d,p) basis set in Gaussian 09W programme in gaseous phase. The antibacterial studies of the compounds were examined against the human pathogenic, Gram negative bacteria i.e. Escherichia coli, Yersinia enterocolitica, Klebsiella pneumoniae, and Salmonella typhi and Gram positive bacteria i.e. Listeria monocytogenes and Enterococcus faecalis.
Two novel Schiff base ligands H 2 L 1 and H 2 L 2 have been synthesized by condensation reaction ... more Two novel Schiff base ligands H 2 L 1 and H 2 L 2 have been synthesized by condensation reaction of amine derivative of 1,2,4-triazole moiety with 2-hydroxy-4-methoxybenzaldehyde. Co(II), Ni(II), Cu(II) and Zn(II) of the synthesized Schiff bases were prepared by using a molar ratio of ligand:metal as 1:1. The structure of the Schiff bases and synthesized metal complexes were established by 1 H NMR, UV–Vis, IR, Mass spectrometry and molar conductivity. The thermal stability of the complexes was study by TGA. Fluorescence quenching mechanism of metal complexes 1–4 show that Zn(II) and Cu(II) complex binds more strongly to BSA. In DFT studies the geometries of Schiff bases and metal complexes were fully optimized with respect to the energy using the 6-31+g(d,p) basis set. The spectral data shows that the ligands behaves as binegative tridentate. On the basis of the spectral studies, TGA and DFT data an octahedral geometry has been assigned for Co(II), Ni(II), square planar for Cu(II) and tetrahedral for Zn(II) complexes. The anticancer activity were screened against human breast cancer cell line (MCF-7) and human hepatocellular liver carcinoma cell line (Hep-G2). Result indicates that metal complexes shows increase cytotoxicity in proliferation to cell lines as compared to free ligand.
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 145 (2015) 155–164
A series of two biologically active Schiff base ligands L1
, L2 have been synthesized in equimol... more A series of two biologically active Schiff base ligands L1
, L2 have been synthesized in equimolar reaction of
4-amino-5-(pyridin-4-yl)-4H-1,2,4-triazole-3-thiol with thiophene-2-carbaldehyde and furan-2-carbaldehyde.
The synthesized Schiff bases were used for complexation with different metal ions like
Co(II), Ni(II) and Cu(II) by using a molar ratio of ligand: metal as 1:1 and 2:1. The characterization of
Schiff bases and metal complexes was done by 1
H NMR, UV–Vis, TGA, IR, mass spectrometry and molar
conductivity studies. The in DFT studies the geometries of Schiff bases and metal complexes were fully
optimized with respect to the energy using the 6-31+g(d,p) basis set. On the basis of the spectral studies
an octahedral geometry has been assigned for Co(II), Ni(II) and Cu(II) complexes. The effect of these complexes
on proliferation of human breast cancer cell line (MCF-7) and human hepatocellular liver carcinoma
cell line (Hep-G2) were studied and compared with those of free ligand. The anticancer cell line
results reveal that all metal complexes show moderate to significant % cytotoxicity on cell line HepG2
and MCF-7.
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy
A series of two biologically active Schiff base ligands L1
, L2 have been synthesized in equimol... more A series of two biologically active Schiff base ligands L1
, L2 have been synthesized in equimolar reaction of
2-aminobenzamide with pyrrol-2-carboxaldehyde and furan-2-carboxaldehyde. The synthesized Schiff bases were used for complexation with different metal ions like Co(II), Ni(II) and Cu(II) by using a molar ratio of ligand: metal as 2:1. The characterization of newly formed complexes was done by 1H NMR, UV–Vis, TGA, IR, mass spectrophotometry, EPR and molar conductivity studies. The thermal studies suggested that the complexes are more stable as compared to ligand. In DFT studies the geometries of Schiff bases
and metal complexes were fully optimized with respect to the energy using the 6-31+g(d,p) basis set. On the basis of the spectral studies an octahedral geometry has been assigned for Co(II) and Ni(II) complexes and distorted octahedral geometry for Cu(II) complexes. All the synthesized compounds, were studied for their in vitro antimicrobial activities, against four bacterial strains and two fungal strains by using serial dilution method. The data also revealed that the metal complexes showed better activity than the ligands due to chelation/coordination.
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy
The paper presents the synthesis of Ni(II) and Zn(II) complexes of general composition M(L)X2 and... more The paper presents the synthesis of Ni(II) and Zn(II) complexes of general composition M(L)X2 and
M(L)2X2 (M = Ni(II), Zn(II), X = Cl1, OAc1) with Schiff base obtained through the condensation of
2-aminobenzamide with thiophene-2-carbaldehyde. The characterization of newly formed complexes
was done by 1H NMR, UV–VIS, TGA, IR, mass spectrophotometry and molar conductivity studies. The
thermal studies suggested that the complexes are more stable as compared to ligand. In DFT studies
the geometries of Schiff’s base and metal complexes were fully optimized with respect to the energy
using the 6-31+g(d,p) basis set. On the basis of the spectral studies a distorted octahedral geometry
has been assigned for Ni(II) complexes and tetrahedral geometry for Zn(II) complexes. The effect of these
complexes on proliferation of human breast cancer cell line (MCF-7) and human hepatocellular liver
carcinoma cell line (HepG2) were studied and compared with those of free ligand.
The conformational behavior of the third generation antitumor drug, oxaliplatin, has been explore... more The conformational behavior of the third generation antitumor drug, oxaliplatin, has been explored by GGA-PW91 density functional calculations and FT-IR spectra. The difference in the biological activities of cisplatin and oxaliplatin are attributed to the presence of the DACH ligand in the latter. The trans forms of the ligand are found to be more stable than the cis form, but, of the two equally stable enantiomers, the trans-l (1R,2R) one is found to be more potent biologically. Since very minor differences are observed in the electronic structures of the two enantiomers, their difference in activity is attributed to the chiral recognition of the ligand by DNA. The calculated vibrational frequencies are in good agreement with our experimental FT-IR spectrum. Calculations have also been performed on the cis isomer and its monohydrate. Comparison between the theoretically predicted geometries and the experimental ones yielded good correspondence, validating our methodology.
A NOVEL tetradentate Schiff's base ligand Bis(furfural)-1,8-naphthalenediimine (L) was synthesize... more A NOVEL tetradentate Schiff's base ligand Bis(furfural)-1,8-naphthalenediimine (L) was synthesized and characterized by physical, analytical and spectral data. Complexes of Co(II), Ni(II), Cu(II) and Zn(II) of general composition MLX 2 [L = C 20 H 14 N 2 O 2 and X = Cl-, NO 3 and OAc-] have been synthesized in 1:1 molar ratio of metal to ligand. The elemental analysis, molar conductance measurements, magnetic susceptibility measurements, Mass, IR, UV-Visible, NMR and EPR spectral studies of the compounds led to the conclusion that the ligand acts in a tetradentate manner in Co(II), Ni(II) and Cu(II) complexes, while in bidentate fashion in Zn(II) complex. Octahedral geometry was assigned to Co(II) and Ni(II) complexes, Tetragonal geometry for Cu(II) complexes and tetrahedral geometry for Zn(II) complexes of the Schiff's base ligand. The thermal studies suggested that the complexes are more stable as compared to ligand and absence of coordinated water molecules in metal complexes. The geometries of Schiff's base and metal complexes were optimized with respect to the energy taking the 6-31+g(d,p) basis set in Gaussian 09W programme in gaseous phase. The antibacterial studies of the compounds were examined against the human pathogenic, Gram negative bacteria i.e. Escherichia coli, Yersinia enterocolitica, Klebsiella pneumoniae, and Salmonella typhi and Gram positive bacteria i.e. Listeria monocytogenes and Enterococcus faecalis.
Two novel Schiff base ligands H 2 L 1 and H 2 L 2 have been synthesized by condensation reaction ... more Two novel Schiff base ligands H 2 L 1 and H 2 L 2 have been synthesized by condensation reaction of amine derivative of 1,2,4-triazole moiety with 2-hydroxy-4-methoxybenzaldehyde. Co(II), Ni(II), Cu(II) and Zn(II) of the synthesized Schiff bases were prepared by using a molar ratio of ligand:metal as 1:1. The structure of the Schiff bases and synthesized metal complexes were established by 1 H NMR, UV–Vis, IR, Mass spectrometry and molar conductivity. The thermal stability of the complexes was study by TGA. Fluorescence quenching mechanism of metal complexes 1–4 show that Zn(II) and Cu(II) complex binds more strongly to BSA. In DFT studies the geometries of Schiff bases and metal complexes were fully optimized with respect to the energy using the 6-31+g(d,p) basis set. The spectral data shows that the ligands behaves as binegative tridentate. On the basis of the spectral studies, TGA and DFT data an octahedral geometry has been assigned for Co(II), Ni(II), square planar for Cu(II) and tetrahedral for Zn(II) complexes. The anticancer activity were screened against human breast cancer cell line (MCF-7) and human hepatocellular liver carcinoma cell line (Hep-G2). Result indicates that metal complexes shows increase cytotoxicity in proliferation to cell lines as compared to free ligand.
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 145 (2015) 155–164
A series of two biologically active Schiff base ligands L1
, L2 have been synthesized in equimol... more A series of two biologically active Schiff base ligands L1
, L2 have been synthesized in equimolar reaction of
4-amino-5-(pyridin-4-yl)-4H-1,2,4-triazole-3-thiol with thiophene-2-carbaldehyde and furan-2-carbaldehyde.
The synthesized Schiff bases were used for complexation with different metal ions like
Co(II), Ni(II) and Cu(II) by using a molar ratio of ligand: metal as 1:1 and 2:1. The characterization of
Schiff bases and metal complexes was done by 1
H NMR, UV–Vis, TGA, IR, mass spectrometry and molar
conductivity studies. The in DFT studies the geometries of Schiff bases and metal complexes were fully
optimized with respect to the energy using the 6-31+g(d,p) basis set. On the basis of the spectral studies
an octahedral geometry has been assigned for Co(II), Ni(II) and Cu(II) complexes. The effect of these complexes
on proliferation of human breast cancer cell line (MCF-7) and human hepatocellular liver carcinoma
cell line (Hep-G2) were studied and compared with those of free ligand. The anticancer cell line
results reveal that all metal complexes show moderate to significant % cytotoxicity on cell line HepG2
and MCF-7.
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy
A series of two biologically active Schiff base ligands L1
, L2 have been synthesized in equimol... more A series of two biologically active Schiff base ligands L1
, L2 have been synthesized in equimolar reaction of
2-aminobenzamide with pyrrol-2-carboxaldehyde and furan-2-carboxaldehyde. The synthesized Schiff bases were used for complexation with different metal ions like Co(II), Ni(II) and Cu(II) by using a molar ratio of ligand: metal as 2:1. The characterization of newly formed complexes was done by 1H NMR, UV–Vis, TGA, IR, mass spectrophotometry, EPR and molar conductivity studies. The thermal studies suggested that the complexes are more stable as compared to ligand. In DFT studies the geometries of Schiff bases
and metal complexes were fully optimized with respect to the energy using the 6-31+g(d,p) basis set. On the basis of the spectral studies an octahedral geometry has been assigned for Co(II) and Ni(II) complexes and distorted octahedral geometry for Cu(II) complexes. All the synthesized compounds, were studied for their in vitro antimicrobial activities, against four bacterial strains and two fungal strains by using serial dilution method. The data also revealed that the metal complexes showed better activity than the ligands due to chelation/coordination.
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy
The paper presents the synthesis of Ni(II) and Zn(II) complexes of general composition M(L)X2 and... more The paper presents the synthesis of Ni(II) and Zn(II) complexes of general composition M(L)X2 and
M(L)2X2 (M = Ni(II), Zn(II), X = Cl1, OAc1) with Schiff base obtained through the condensation of
2-aminobenzamide with thiophene-2-carbaldehyde. The characterization of newly formed complexes
was done by 1H NMR, UV–VIS, TGA, IR, mass spectrophotometry and molar conductivity studies. The
thermal studies suggested that the complexes are more stable as compared to ligand. In DFT studies
the geometries of Schiff’s base and metal complexes were fully optimized with respect to the energy
using the 6-31+g(d,p) basis set. On the basis of the spectral studies a distorted octahedral geometry
has been assigned for Ni(II) complexes and tetrahedral geometry for Zn(II) complexes. The effect of these
complexes on proliferation of human breast cancer cell line (MCF-7) and human hepatocellular liver
carcinoma cell line (HepG2) were studied and compared with those of free ligand.
The conformational behavior of the third generation antitumor drug, oxaliplatin, has been explore... more The conformational behavior of the third generation antitumor drug, oxaliplatin, has been explored by GGA-PW91 density functional calculations and FT-IR spectra. The difference in the biological activities of cisplatin and oxaliplatin are attributed to the presence of the DACH ligand in the latter. The trans forms of the ligand are found to be more stable than the cis form, but, of the two equally stable enantiomers, the trans-l (1R,2R) one is found to be more potent biologically. Since very minor differences are observed in the electronic structures of the two enantiomers, their difference in activity is attributed to the chiral recognition of the ligand by DNA. The calculated vibrational frequencies are in good agreement with our experimental FT-IR spectrum. Calculations have also been performed on the cis isomer and its monohydrate. Comparison between the theoretically predicted geometries and the experimental ones yielded good correspondence, validating our methodology.
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Papers by prateek tyagi
, L2 have been synthesized in equimolar reaction of
4-amino-5-(pyridin-4-yl)-4H-1,2,4-triazole-3-thiol with thiophene-2-carbaldehyde and furan-2-carbaldehyde.
The synthesized Schiff bases were used for complexation with different metal ions like
Co(II), Ni(II) and Cu(II) by using a molar ratio of ligand: metal as 1:1 and 2:1. The characterization of
Schiff bases and metal complexes was done by 1
H NMR, UV–Vis, TGA, IR, mass spectrometry and molar
conductivity studies. The in DFT studies the geometries of Schiff bases and metal complexes were fully
optimized with respect to the energy using the 6-31+g(d,p) basis set. On the basis of the spectral studies
an octahedral geometry has been assigned for Co(II), Ni(II) and Cu(II) complexes. The effect of these complexes
on proliferation of human breast cancer cell line (MCF-7) and human hepatocellular liver carcinoma
cell line (Hep-G2) were studied and compared with those of free ligand. The anticancer cell line
results reveal that all metal complexes show moderate to significant % cytotoxicity on cell line HepG2
and MCF-7.
, L2 have been synthesized in equimolar reaction of
2-aminobenzamide with pyrrol-2-carboxaldehyde and furan-2-carboxaldehyde. The synthesized Schiff bases were used for complexation with different metal ions like Co(II), Ni(II) and Cu(II) by using a molar ratio of ligand: metal as 2:1. The characterization of newly formed complexes was done by 1H NMR, UV–Vis, TGA, IR, mass spectrophotometry, EPR and molar conductivity studies. The thermal studies suggested that the complexes are more stable as compared to ligand. In DFT studies the geometries of Schiff bases
and metal complexes were fully optimized with respect to the energy using the 6-31+g(d,p) basis set. On the basis of the spectral studies an octahedral geometry has been assigned for Co(II) and Ni(II) complexes and distorted octahedral geometry for Cu(II) complexes. All the synthesized compounds, were studied for their in vitro antimicrobial activities, against four bacterial strains and two fungal strains by using serial dilution method. The data also revealed that the metal complexes showed better activity than the ligands due to chelation/coordination.
M(L)2X2 (M = Ni(II), Zn(II), X = Cl1, OAc1) with Schiff base obtained through the condensation of
2-aminobenzamide with thiophene-2-carbaldehyde. The characterization of newly formed complexes
was done by 1H NMR, UV–VIS, TGA, IR, mass spectrophotometry and molar conductivity studies. The
thermal studies suggested that the complexes are more stable as compared to ligand. In DFT studies
the geometries of Schiff’s base and metal complexes were fully optimized with respect to the energy
using the 6-31+g(d,p) basis set. On the basis of the spectral studies a distorted octahedral geometry
has been assigned for Ni(II) complexes and tetrahedral geometry for Zn(II) complexes. The effect of these
complexes on proliferation of human breast cancer cell line (MCF-7) and human hepatocellular liver
carcinoma cell line (HepG2) were studied and compared with those of free ligand.
, L2 have been synthesized in equimolar reaction of
4-amino-5-(pyridin-4-yl)-4H-1,2,4-triazole-3-thiol with thiophene-2-carbaldehyde and furan-2-carbaldehyde.
The synthesized Schiff bases were used for complexation with different metal ions like
Co(II), Ni(II) and Cu(II) by using a molar ratio of ligand: metal as 1:1 and 2:1. The characterization of
Schiff bases and metal complexes was done by 1
H NMR, UV–Vis, TGA, IR, mass spectrometry and molar
conductivity studies. The in DFT studies the geometries of Schiff bases and metal complexes were fully
optimized with respect to the energy using the 6-31+g(d,p) basis set. On the basis of the spectral studies
an octahedral geometry has been assigned for Co(II), Ni(II) and Cu(II) complexes. The effect of these complexes
on proliferation of human breast cancer cell line (MCF-7) and human hepatocellular liver carcinoma
cell line (Hep-G2) were studied and compared with those of free ligand. The anticancer cell line
results reveal that all metal complexes show moderate to significant % cytotoxicity on cell line HepG2
and MCF-7.
, L2 have been synthesized in equimolar reaction of
2-aminobenzamide with pyrrol-2-carboxaldehyde and furan-2-carboxaldehyde. The synthesized Schiff bases were used for complexation with different metal ions like Co(II), Ni(II) and Cu(II) by using a molar ratio of ligand: metal as 2:1. The characterization of newly formed complexes was done by 1H NMR, UV–Vis, TGA, IR, mass spectrophotometry, EPR and molar conductivity studies. The thermal studies suggested that the complexes are more stable as compared to ligand. In DFT studies the geometries of Schiff bases
and metal complexes were fully optimized with respect to the energy using the 6-31+g(d,p) basis set. On the basis of the spectral studies an octahedral geometry has been assigned for Co(II) and Ni(II) complexes and distorted octahedral geometry for Cu(II) complexes. All the synthesized compounds, were studied for their in vitro antimicrobial activities, against four bacterial strains and two fungal strains by using serial dilution method. The data also revealed that the metal complexes showed better activity than the ligands due to chelation/coordination.
M(L)2X2 (M = Ni(II), Zn(II), X = Cl1, OAc1) with Schiff base obtained through the condensation of
2-aminobenzamide with thiophene-2-carbaldehyde. The characterization of newly formed complexes
was done by 1H NMR, UV–VIS, TGA, IR, mass spectrophotometry and molar conductivity studies. The
thermal studies suggested that the complexes are more stable as compared to ligand. In DFT studies
the geometries of Schiff’s base and metal complexes were fully optimized with respect to the energy
using the 6-31+g(d,p) basis set. On the basis of the spectral studies a distorted octahedral geometry
has been assigned for Ni(II) complexes and tetrahedral geometry for Zn(II) complexes. The effect of these
complexes on proliferation of human breast cancer cell line (MCF-7) and human hepatocellular liver
carcinoma cell line (HepG2) were studied and compared with those of free ligand.