d) 2022 - 98 Documents
Permanent URI for this communityhttps://dspace.psgrkcw.com/handle/123456789/3938
Browse
5 results
Search Results
Item 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, MayilsamyA 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.Item A TWO-STEP STRATEGY TO SYNTHESIS NEW AMINOGUANIDINIUM COMPLEXES: CYTOTOXIC EFFECT AND PERSPECTIVES(Taylor & Francis Online, 2022-05-30) Natarajan, Arunadevi; Ponnusamy, Kanchana; Venkatesan, Hemapriya; Mayilsamy, Mehala; Manoharan, SwathikaaThe 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.Item 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, ChungA 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.Item 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, PrabakaranGreen 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.Item 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, PremkumarThe 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.