Browsing by Author "Ponnusamy, Kanchana"

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ACTIVE-POLYPHENOLIC-COMPOUNDS-RICH GREEN INHIBITOR FOR THE SURFACE PROTECTION OF LOW CARBON STEEL IN ACIDIC MEDIUM
(World Science Publishing Company, 2019-08-28) Chung, Ill-Min; Venkatesan, Hemapriya; Ponnusamy, Kanchana; Natarajan, Arunadevi; S, Chitra; Kim, Seung-Hyun; Mayakrishnan, Prabakaran
Eco-friendly biodegradable Rhododendron schlippenbachii (R. schlippenbachii) green inhibitors, R. schlippenbachii methanolic (RSMeOH) extract, which can effectively reduce low carbon steel corrosion rate, were investigated using weight-loss and electrochemical (electrochemical impedance spectroscopy) techniques. The inhibitors exhibited higher efficiency by retarding the corrosion process in 1M H2SO4 and the inhibition efficiency is found to be concentration dependent. The reactivity of the predominant phytochemical components of the extract are analyzed. The adsorption of inhibitors on low carbon steel is followed the Langmuir adsorption. The protective inhibitor film formed on the metal surface was confirmed by SEM and AFM techniques
FACILE AND GREEN SYNTHESIS, CRYSTAL STRUCTURE, ANTIBACTERIAL ACTIVITY, HIRSHFELD SURFACE ANALYSIS, AND COMPUTATIONAL INVESTIGATION OF A NOVEL LITHIUM(I) COMPLEX: COMPARISONS OF THEORETICAL AND EXPERIMENTAL ANALYSES
(Elsevier, 2023-12-01) Prabha Devi, Balakrishnan; Nigam P, Rath; Thathan, Premkumar; Abinaya, Ganesh; Ponnusamy, Kanchana
A novel monovalent lithium complex, [Li(C6H4NO3)(H2O)2] (1), was prepared via a simple one-pot green reaction of 2-hydroxypyridine-3-carboxylic acid (2-hpca) with lithium carbonate and aminoguanidine (Amgu) bicarbonate in water. Complex 1 was investigated using elemental, ultraviolet–visible, Fourier transform infrared (FT-IR), thermal, and single-crystal X-ray diffraction (SC-XRD) measurements. We found that 1 crystallized in the monoclinic C2/m space group with a = 12.800(2) Å, b = 6.6657(13) Å, and c = 9.4687(19) Å. The Li ion exhibited four coordinates with a distorted square planar geometry. That is, the ion was surrounded by four oxygen atoms, of which two were derived from two water molecules, one was from the carboxylate group, and one was from the keto group of the 2-oxo-1,2-dihydropyridine-3-carboxylate ligand. Simultaneous thermogravimetry–differential thermal analysis of 1 exhibited dehydration followed by continuous low-temperature (∼400 °C) decomposition to produce lithium oxide as the end product in an air atmosphere. Furthermore, density functional theory (DFT) analysis was conducted to compare the theoretical and experimental data collected via SC-XRD. In addition, DFT was used to analyze the frontier molecular orbital energy levels and energy gaps. Moreover, we conducted Hirshfeld surface studies with respect to 1 to differentiate between the intermolecular hydrogen bond contacts. Energy frameworks for 1 were produced by analyzing the energy interactions between intermolecular hydrogen bonds to investigate the prevailing interactions involved in molecular packing. The in silico results showed that 1 has high potential for the development of antimicrobial drugs. Molecular docking studies were also conducted to determine the binding energy of 1 with Staphylococcus aureus (5CZZ) and Escherichia coli (3T88). The results were consistent with the experimental data obtained from the antibacterial activity of 1 with respect to Staphylococcus aureus and Escherichia coli.
NEW GUANIDINIUM AND AMINOGUANIDINIM SALTS OF 2-HYDROXYPYRIDINE-3-CARBOXYLIC ACID: PREPARATION AND SPECTRAL, STRUCTURAL, THERMAL, ADMET, BIOLOGICAL, AND MOLECULAR DOCKING STUDIES
(Elsevier, 2022-12-05) Prabha Devi, Balakrishnan; Ponnusamy, Kanchana; Natarajan, Arunadevi; Nigam P, Rath; Thathan, Premkumar
The reaction of guanidine carbonate and aminoguanidine bicarbonate with 2-hydroxypyridine-3-carboxylic acid in various mole ratios (1:1, 1:2, and 2:1) resulted in the formation of the salts [GunH][C6H4NO3]▪H2O (1), [GunH][C12H9N2O6] ▪H2O (2), [GunH]2[C6H3NO3]▪H2O (3), [AmguH][C6H4NO3]▪H2O (4), [AmguH][C12H9N2O6] (5), and [AmguH]2[C6H3NO3]▪H2O (6) [where GunH+- guanidinium (+1) and AmguH+- aminoguanidinium (+1) salts]. Elemental analysis, FT-IR, 1H NMR, and TG-DTA studies were used to identify and characterize the synthesized simple salts. All compounds were polycrystalline in nature, except (1), which was obtained as single crystal. Single-crystal X-ray diffraction studies confirmed the structure of (1), which crystallizes in a monoclinic system with the P21/n space group, with molecular formula C7H12N4O4. FT-IR spectra of the aminoguanidinium salts reveal Nsingle bondN stretching frequencies in the range of 989–914 cm−1, indicating the presence of aminoguanidinium moiety. The NH2 protons of the guanidinium/aminoguanidinium moiety are assigned to the 7–7.5 δ signals in the 1H NMR signals for the simple salts (1)–(6). The thermal reactivity and stability of the as-prepared salts were investigated in air using simultaneous TG-DTA analysis. Except for compounds (5) and (6), the TG-DTA of all the salts showed dehydration followed by continuous decomposition to produce gaseous products. All the salts underwent endothermic decomposition followed by exothermic combustion in the temperatures range from 120 to 450 °C. Furthermore, the salts have appreciable drug-likeness characters according to Lipinski's regulations, as predicted by the in silico ADMET properties. Molecular docking studies of salts also revealed good binding affinity toward 3MIW, 4WM8, and 5IBV proteins. Among the six salts prepared, the diguanidinium salts showed good anticancer activity against human lung adenocarcinoma and human breast adenocarcinoma cell lines. The disk diffusion method was adopted to investigate the antibacterial activities of compounds (1)–(6) in vitro against two bacterial strains. All the salts displayed potential antibacterial activity against Escherichia coli and Staphylococcus aureus.
NEW GUANIDINIUM AND AMINOGUANIDINIM SALTS OF 2-HYDROXYPYRIDINE-3-CARBOXYLIC ACID: PREPARATION AND SPECTRAL, STRUCTURAL, THERMAL, ADMET, BIOLOGICAL, AND MOLECULAR DOCKING STUDIES
(Elsevier, 2022-12-05) Prabha Devi, Balakrishnan; Ponnusamy, Kanchana; Natarajan, Arunadevi; Nigam P., Rath; Thathan, Premkumar
The reaction of guanidine carbonate and aminoguanidine bicarbonate with 2-hydroxypyridine-3-carboxylic acid in various mole ratios (1:1, 1:2, and 2:1) resulted in the formation of the salts [GunH][C6H4NO3]▪H2O (1), [GunH][C12H9N2O6] ▪H2O (2), [GunH]2[C6H3NO3]▪H2O (3), [AmguH][C6H4NO3]▪H2O (4), [AmguH][C12H9N2O6] (5), and [AmguH]2[C6H3NO3]▪H2O (6) [where GunH+- guanidinium (+1) and AmguH+- aminoguanidinium (+1) salts]. Elemental analysis, FT-IR, 1H NMR, and TG-DTA studies were used to identify and characterize the synthesized simple salts. All compounds were polycrystalline in nature, except (1), which was obtained as single crystal. Single-crystal X-ray diffraction studies confirmed the structure of (1), which crystallizes in a monoclinic system with the P21/n space group, with molecular formula C7H12N4O4. FT-IR spectra of the aminoguanidinium salts reveal Nsingle bondN stretching frequencies in the range of 989–914 cm−1, indicating the presence of aminoguanidinium moiety. The NH2 protons of the guanidinium/aminoguanidinium moiety are assigned to the 7–7.5 δ signals in the 1H NMR signals for the simple salts (1)–(6). The thermal reactivity and stability of the as-prepared salts were investigated in air using simultaneous TG-DTA analysis. Except for compounds (5) and (6), the TG-DTA of all the salts showed dehydration followed by continuous decomposition to produce gaseous products. All the salts underwent endothermic decomposition followed by exothermic combustion in the temperatures range from 120 to 450 °C. Furthermore, the salts have appreciable drug-likeness characters according to Lipinski's regulations, as predicted by the in silico ADMET properties. Molecular docking studies of salts also revealed good binding affinity toward 3MIW, 4WM8, and 5IBV proteins. Among the six salts prepared, the diguanidinium salts showed good anticancer activity against human lung adenocarcinoma and human breast adenocarcinoma cell lines. The disk diffusion method was adopted to investigate the antibacterial activities of compounds (1)–(6) in vitro against two bacterial strains. All the salts displayed potential antibacterial activity against Escherichia coli and Staphylococcus aureus.
NEW TRANSITION METAL (II) COMPLEXES WITH NAPHTHOATE AND AMINOGUANIDINE-BASED LIGANDS: A COMBINED SPECTROSCOPIC AND THEORETICAL STUDY WITH ITS APPLICATIONS
(Taylor & Francis, 2022-08-18) Ponnusamy, Kanchana; Natarajan, Aruna Devi; Balakrishnan, Prabha Devi; Sankaran, Shanmuga Sundari; Venkatesan, Hemapriya; Ill-Min, Chung; Mayakrishnan, Prabakaran
A new series of transition metal complexes of Mn(ΙΙ), Fe(ΙΙ), Co(ΙΙ) and Ni(ΙΙ) is synthesized from aminoguanidine and 3-hydroxy-2-naphthoic acid ligands with the formula (N4H7C)2[M{(C10H6(O)(COO)}2]·2H2O. The synthesized complexes were characterized by analytical, spectral and thermal studies. The elemental analysis confirms the composition of the complexes. The XRD studies show that all the complexes are isostructural in nature. The complexes were screened for antimicrobial activity against a Gram-positive, Bacillus subtilis (B. subtilis), and a Gram-negative, Escherichia coli (E. coli), bacterial species. The antibacterial results were concurrent with the output of the DFT investigation of metal complex, showing that the aminoguanidine moiety plays a key role in biological activity. Molecular docking studies have been carried out to identify the binding affinity and the mode of interaction of metal complexes with E. coli protein (2FUM). Further the synthesized complex is used as a single source precursor for preparation of nano metal oxides. The photocatalytic activity was carried out using the metal oxide as catalyst for degradation of dye materials. The metal oxide is found to be an efficient catalyst for degradation of methyl orange dye.
NEW TRANSITION METAL(II) COMPLEXES WITH NAPHTHOATE AND AMINOGUANIDINE-BASED LIGANDS: A COMBINED SPECTROSCOPIC AND THEORETICAL STUDY WITH ITS APPLICATIONS
(Taylor & Francis Online, 2022-10-07) Ponnusamy, Kanchana; Natarajan, Arunadevi; Balakrishnan, Prabha Devi; Sankaran, Shanmuga Sundari; Venkatesan, Hemapriya; Ill-Min, Chung
A new series of transition metal complexes of Mn(ΙΙ), Fe(ΙΙ), Co(ΙΙ) and Ni(ΙΙ) is synthesized from aminoguanidine and 3-hydroxy-2-naphthoic acid ligands with the formula (N4H7C)2[M{(C10H6(O)(COO)}2]·2H2O. The synthesized complexes were characterized by analytical, spectral and thermal studies. The elemental analysis confirms the composition of the complexes. The XRD studies show that all the complexes are isostructural in nature. The complexes were screened for antimicrobial activity against a Gram-positive, Bacillus subtilis (B. subtilis), and a Gram-negative, Escherichia coli (E. coli), bacterial species. The antibacterial results were concurrent with the output of the DFT investigation of metal complex, showing that the aminoguanidine moiety plays a key role in biological activity. Molecular docking studies have been carried out to identify the binding affinity and the mode of interaction of metal complexes with E. coli protein (2FUM). Further the synthesized complex is used as a single source precursor for preparation of nano metal oxides. The photocatalytic activity was carried out using the metal oxide as catalyst for degradation of dye materials. The metal oxide is found to be an efficient catalyst for degradation of methyl orange dye.
A ONE-POT SOLID-STATE SYNTHESIS OF MGO NANOPARTICLES AND THEIR CATALYTIC, BIOLOGICAL, AND ELECTROCHEMICAL SENSOR ACTIVITIES: HEXAAQUAMAGNESIUM (II) BIS (6-OXO-1,6-DIHYDROPYRIDINE-3-CARBOXYLATE) AS A TOOL
(Royal Society of Chemistry, 2023-03-10) Prabha Devi, Balakrishnan; Natarajan, Arunadevi; Nigam, P. Rath; Ponnusamy, Kanchana; Thathan, Premkumar
A new divalent Mg complex, hexaaquamagnesium(II) bis(6-oxo-1,6-dihydropyridine-3-carboxylate) ([Mg(H2O)6](C6H4NO3)2) (1), was synthesized by reacting Mg(NO3)2·6H2O with 6-hydroxypyridine-3-carboxylic acid (6-hpca) in the presence of aminoguanidine bicarbonate. Here, 1 was studied by elemental, infrared (IR), 1H NMR, 13C NMR, ultraviolet-visible (UV-vis), thermal, and single-crystal X-ray diffraction (SC-XRD) analyses. We discovered that 1 crystallized in the triclinic P[1 with combining macron] space group, whereas the Mg(II) ion exhibited six coordinated water molecules with octahedral geometry. Interestingly, 1 was used as a solid-state precursor for synthesizing Mg oxide (MgO) nanoparticles (NPs). Fourier transform infrared (FT-IR), UV-vis, powder-XRD, TEM, and energy-dispersive X-ray spectroscopic analyses were performed on the prepared MgO NPs. The results showed that the as-prepared MgO NPs were small (14 nm) and homogeneous. The antibacterial activity and antioxidant scavenging assays of 6-hpca, 1, and the MgO NPs against 2,2-diphenyl-1-picrylhydrazyl (DPPH) revealed that the MgO NPs had good biological properties. Furthermore, a sensitive electrochemical sensor was developed for improved glucose detection by modifying a glassy carbon electrode with the as-prepared MgO NPs. The MgO NPs demonstrated effective catalytic properties for the reduction of 4-nitrophenol to 4-aminophenol. The proposed approach is simple, environmentally friendly, and user-friendly.
A ONE-POT SOLID-STATE SYNTHESIS OF MGO NANOPARTICLES AND THEIR CATALYTIC, BIOLOGICAL, AND ELECTROCHEMICAL SENSOR ACTIVITIES: HEXAAQUAMAGNESIUM(II) BIS(6-OXO-1,6-DIHYDROPYRIDINE-3-CARBOXYLATE) AS A TOOL
(Royal Society of Chemistry, 2023-01-16) Prabha Devi, Balakrishnan; Natarajan, Arunadevi; Nigam P, Rath; Ponnusamy, Kanchana; Thathan, Premkumar
A new divalent Mg complex, hexaaquamagnesium(II) bis(6-oxo-1,6-dihydropyridine-3-carboxylate) ([Mg(H2O)6](C6H4NO3)2) (1), was synthesized by reacting Mg(NO3)2·6H2O with 6-hydroxypyridine-3-carboxylic acid (6-hpca) in the presence of aminoguanidine bicarbonate. Here, 1 was studied by elemental, infrared (IR), 1H NMR, 13C NMR, ultraviolet-visible (UV-vis), thermal, and single-crystal X-ray diffraction (SC-XRD) analyses. We discovered that 1 crystallized in the triclinic P[1 with combining macron] space group, whereas the Mg(II) ion exhibited six coordinated water molecules with octahedral geometry. Interestingly, 1 was used as a solid-state precursor for synthesizing Mg oxide (MgO) nanoparticles (NPs). Fourier transform infrared (FT-IR), UV-vis, powder-XRD, TEM, and energy-dispersive X-ray spectroscopic analyses were performed on the prepared MgO NPs. The results showed that the as-prepared MgO NPs were small (14 nm) and homogeneous. The antibacterial activity and antioxidant scavenging assays of 6-hpca, 1, and the MgO NPs against 2,2-diphenyl-1-picrylhydrazyl (DPPH) revealed that the MgO NPs had good biological properties. Furthermore, a sensitive electrochemical sensor was developed for improved glucose detection by modifying a glassy carbon electrode with the as-prepared MgO NPs. The MgO NPs demonstrated effective catalytic properties for the reduction of 4-nitrophenol to 4-aminophenol. The proposed approach is simple, environmentally friendly, and user-friendly.
PHYTOFABRICATION OF SILVER NANOPARTICLES FROM LIMONIA ACIDISSIMA LEAF EXTRACT AND THEIR ANTIMICROBIAL, ANTIOXIDANT AND ITS ANTICANCER PROPHECY
(Elsevier, 2022-10) Ponnusamy, Kanchana; Venkatesan, Hemapriya; Natarajan, Arunadevi; Sankaran, Shanmuga Sundari; Ill-Min, Chung; Mayakrishnan, Prabakaran
Green synthesis of nanoparticles by eco-friendly methods is a recent technique which draws the attention of researchers because of the reward over many conventional chemical methods. The present work focuses on aqueous Limonia acidissima leaf extract in synthesizing silver nanoparticles and its applications in a simple way. The silver nanoparticles formed were characterized by Infrared, Ultra violet-visible, X-ray diffraction, transmission electron microscopic, and atomic force microscopic techniques. The powder X-ray diffraction studies and transmission electron microscopic images reveal that the silver nanoparticles synthesized were approximately 10–40 nm and have a spherical structure. The nanoparticles were assayed for their antibacterial, antifungal and antioxidant activity. The antimicrobial studies for the silver nanoparticles show a maximum zone of inhibition of 8.8 mm for Bacillus subtilis bacteria and 8.5 mm for Candida albicans fungi at 3 and 1 μg/mL respectively. In-silico ADMET studies reveal that the toxicity, bioactivity, pharmacokinetics and drug-likeness properties of Limonia acidissima leaf extract is good. The molecular docking studies show that the microbial activity is high for Bacillus subtilis and Candida albicans showing the coincidence of the in silico and in vitro studies as expected. The free radical scavenging activity of nanoparticles is 80 for 100 μg/mL. The 50% of inhibition of silver nanoparticles against human breast cancer cell lines is 18 μg/mL. It is evident that silver nanoparticles would be helpful in treating cancer cell lines and have great perspectives in the biomedical sector.
PHYTOFABRICATION OF SILVER NANOPARTICLES FROM LIMONIA ACIDISSIMA LEAF EXTRACT AND THEIR ANTIMICROBIAL, ANTIOXIDANT AND ITS ANTICANCER PROPHECY
(Elsevier, 2022-10) Ponnusamy, Kanchana; Venkatesan, Hemapriya; Natarajan, Arunadevi; Sankaran, Shanmuga Sundari; Ill-Min, Chung; Mayakrishnan, Prabakaran
Green synthesis of nanoparticles by eco-friendly methods is a recent technique which draws the attention of researchers because of the reward over many conventional chemical methods. The present work focuses on aqueous Limonia acidissima leaf extract in synthesizing silver nanoparticles and its applications in a simple way. The silver nanoparticles formed were characterized by Infrared, Ultra violet-visible, X-ray diffraction, transmission electron microscopic, and atomic force microscopic techniques. The powder X-ray diffraction studies and transmission electron microscopic images reveal that the silver nanoparticles synthesized were approximately 10–40 nm and have a spherical structure. The nanoparticles were assayed for their antibacterial, antifungal and antioxidant activity. The antimicrobial studies for the silver nanoparticles show a maximum zone of inhibition of 8.8 mm for Bacillus subtilis bacteria and 8.5 mm for Candida albicans fungi at 3 and 1 μg/mL respectively. In-silico ADMET studies reveal that the toxicity, bioactivity, pharmacokinetics and drug-likeness properties of Limonia acidissima leaf extract is good. The molecular docking studies show that the microbial activity is high for Bacillus subtilis and Candida albicans showing the coincidence of the in silico and in vitro studies as expected. The free radical scavenging activity of nanoparticles is 80 for 100 μg/mL. The 50% of inhibition of silver nanoparticles against human breast cancer cell lines is 18 μg/mL. It is evident that silver nanoparticles would be helpful in treating cancer cell lines and have great perspectives in the biomedical sector.
PHYTOFABRICATION OF SILVER NANOPARTICLES FROM LIMONIA ACIDISSIMA LEAF EXTRACT AND THEIR ANTIMICROBIAL, ANTIOXIDANT AND ITS ANTICANCER PROPHECY
(Elsevier, 2022-10-01) Ponnusamy, Kanchana; Ponnusamy, Kanchana; Natarajan, Arunadevi; Sankaran, Shanmuga Sundari; Ill-Min, Chung; Mayakrishnan, Prabakaran
Green synthesis of nanoparticles by eco-friendly methods is a recent technique which draws the attention of researchers because of the reward over many conventional chemical methods. The present work focuses on aqueous Limonia acidissima leaf extract in synthesizing silver nanoparticles and its applications in a simple way. The silver nanoparticles formed were characterized by Infrared, Ultra violet-visible, X-ray diffraction, transmission electron microscopic, and atomic force microscopic techniques. The powder X-ray diffraction studies and transmission electron microscopic images reveal that the silver nanoparticles synthesized were approximately 10–40 nm and have a spherical structure. The nanoparticles were assayed for their antibacterial, antifungal and antioxidant activity. The antimicrobial studies for the silver nanoparticles show a maximum zone of inhibition of 8.8 mm for Bacillus subtilis bacteria and 8.5 mm for Candida albicans fungi at 3 and 1 μg/mL respectively. In-silico ADMET studies reveal that the toxicity, bioactivity, pharmacokinetics and drug-likeness properties of Limonia acidissima leaf extract is good. The molecular docking studies show that the microbial activity is high for Bacillus subtilis and Candida albicans showing the coincidence of the in silico and in vitro studies as expected. The free radical scavenging activity of nanoparticles is 80 for 100 μg/mL. The 50% of inhibition of silver nanoparticles against human breast cancer cell lines is 18 μg/mL. It is evident that silver nanoparticles would be helpful in treating cancer cell lines and have great perspectives in the biomedical sector.
SYNTHESIS AND CRYSTAL GROWTH OF CADMIUM NAPHTHOATE CRYSTAL FOR SECOND ORDER NON-LINEAR OPTICS AND CYTOTOXIC ACTIVITY
(Taylor & Francis, 2022-11-14) Natarajan, Arunadevi,; Ponnusamy, Kanchana; Venkatesan, Hemapriya; Shanmuga Sundari, Sankaran,; Mehala, Mayilsamy; Prabha Devi, Balakrishnan,; Ill-Min, Chung; Prabakaran, Mayakrishnan
A new organometallic crystal diaquo-di(2-hydroxy-1-naphthoate)-cadmium(II) was synthesized by slow evaporation method and characterized for optical, spectral, thermal and biological applications. Single crystal X-ray diffraction revealed that the crystal structure was monoclinic with C2 space group. The crystal perfection and atomic packing of the grown crystal were also analyzed. The presence of functional groups and different vibrational modes were studied from IR spectra. Various decomposition stages and thermal stability of the grown crystal was studied from TG-DTA data. Molar conductance and dielectric of the complex were determined. Energy Band gap, refractive index, skin depth and extinction coefficient of the crystal were calculated from UV-Visible absorption studies and by using Kurtz powder method, the second harmonic generation (SHG) efficiency was examined. In addition, the crystal was investigated for its anticancer activity on lung cancer and breast cancer cells. Using AutoDock Vina software, the binding pattern of the crystal was investigated toward target proteins Leu 862, Glu 793, Trp 796, Gln 858, Tyr 857 and Lys 861.
SYNTHESIS AND CRYSTAL GROWTH OF CADMIUM NAPHTHOATE CRYSTAL FOR SECOND ORDER NON-LINEAR OPTICS AND CYTOTOXIC ACTIVITY
(Taylor & Francis Online, 2022) Natarajan, Arunadevi; Ponnusamy, Kanchana; Venkatesan, Hemapriya; Shanmuga Sundari, Sankaran; Mehala, Mayilsamy
A new organometallic crystal diaquo-di(2-hydroxy-1-naphthoate)-cadmium(II) was synthesized by slow evaporation method and characterized for optical, spectral, thermal and biological applications. Single crystal X-ray diffraction revealed that the crystal structure was monoclinic with C2 space group. The crystal perfection and atomic packing of the grown crystal were also analyzed. The presence of functional groups and different vibrational modes were studied from IR spectra. Various decomposition stages and thermal stability of the grown crystal was studied from TG-DTA data. Molar conductance and dielectric of the complex were determined. Energy Band gap, refractive index, skin depth and extinction coefficient of the crystal were calculated from UV-Visible absorption studies and by using Kurtz powder method, the second harmonic generation (SHG) efficiency was examined. In addition, the crystal was investigated for its anticancer activity on lung cancer and breast cancer cells. Using AutoDock Vina software, the binding pattern of the crystal was investigated toward target proteins Leu 862, Glu 793, Trp 796, Gln 858, Tyr 857 and Lys 861.
A TWO-STEP STRATEGY TO SYNTHESIS NEW AMINOGUANIDINIUM COMPLEXES: CYTOTOXIC EFFECT AND PERSPECTIVES
(Taylor & Francis, 2022-05-23) Natarajan, Arunadevi; Ponnusamy, Kanchana; Venkatesan, Hemapriya; Mayilsamy, Mehala; Manoharan, Swathika; Ill-Min, Chung; Mayakrishnan, Prabakaran
The progress of transition metal complexes having anticancer activity has greater influence in cancer therapy. With the anticipation of investigating the anticancer activity and property of the transition metal complexes, Ni(II), Zn(II), and Cd(II) metal complexes of 1-hydroxy-2-naphthoic acid (1H2NA)/2-hydroxy-1-naphthoic acid (2H1NA) with aminoguanidine of ratio 1:1:2 were synthesized and characterized by spectroscopic studies like IR, UV–Vis, Thermal analysis, powder XRD, molar conductivity measurements, antimicrobial, and anticancer studies. Simple salts of 1-hydroxy-2-naphthoic acid (1H2NA)/2-hydroxy-1-naphthoic acid (2H1NA) with aminoguanidine were also prepared in different ratios viz, 1:1 and 1:2. It is characterized by spectroscopic measurements IR, UV, TG-DTA, powder XRD, molar conductivity measurements, and cytotoxic effects were also studied. Nanometal oxides of zinc complexes were prepared and surface morphological studies were investigated. The functional groups were confirmed from IR spectroscopy data. Band gap energies of all the synthesized compounds were calculated from UV–Visible spectroscopy. Various decomposition steps and the thermal stability of the compounds were determined from thermal analysis. From the molar conductivity measurements, it is confirmed that the compounds are electrolytes. SEM and TEM images confirm the rod and hexagonal shape of the respective nanometal oxides. The complexes and nanometal oxides show significant activity against antimicrobials like Staphylococcus aureus, Escherichia coli, and Aspergillus fumigates. The results of present research show that, the synthesized ligands and metal complexes at lower concentration predominantly shows higher cytotoxic activity against cancer cellular lines like MCF-7 and A-549 (human breast cancer cells and human lung cancer cells, respectively). DFT computational studies were carried out using GAUSSIAN 09 W software to understand the bonding mode and chemical parameters of the complexes were calculated using frontier molecular orbital studies.