Preliminary studies on microbial induced corrosion of ferrous materials (EN-8 and 411143 steels) in the presence of Acidithiobacillus ferrooxidans

An electrochemical investigation was conducted to evaluate the corrosion behaviour of Iron alloys such as EN-8 and 411143 in absence and in presence of microbes Acidithiobacillus ferrooxidans. Linear polarization technique was employed to measure the Polarization Resistance and corrosion rates of two different ferrous metal samples. Polarization resistance (Rp) values of EN-8 were initially higher in the presence of Acidithiobacillus ferrooxidans than the values of 411143. Growth rate of the Acidithiobacillus ferrooxidans was more and sustained longer period with EN-8 in the presence of media than in the case of alloy ‘411143’. It was observed that there was a 1.5 fold increase in corrosion rate in both the cases of EN-8 and 411143 in the presence of bacteria.High corrosion rates were recorded with the steel 41143 rather than the En-8 with respect to the optical density of the microbes. It was concluded that EN-8 was exhibited high resistance to the microbial attack.

Cytotoxic and microbial studies of mixed metal complexes

Breast cancer and its treatment have become a prominent and challenging problem today. The increasing multidrug resistance to microbial pathogens is the root cause of breast cancer. Women suffering from cancer showed high levels of E. coli and S. aureus. In the last few decades, there has been a considerable need in the medical field for the discovery of new compounds endowed with antimicrobial activity, despite the fact that several antibiotics and chemotherapy drugs are currently accessible. Substantial research was conducted, particularly on transition complexes as metal-based drugs in pharmacological applications to provide therapeutic options. The synthesis, characterization, antibacterial activity, and cytotoxic activity of copper complexes with specific ligands of amino acids such as tyrosine and arginine are discussed in this work.

Effect of temperature and chain length of added primary amines on the sphere to rod transition of aqueous ionic micelles

The importance of micelles as templates for nanomaterials is growing day by day. This resulted in an increasing interest for micelles in different sizes and shapes. Addition of n-amines to micellar solutions was found to bring change in the shape of the micelles from sphere to rod in aqueous ionic micellar solutions. The change in shape is qualitatively obtained from sudden change in the slope of pH versus amine concentration plots because the degree or protonation of n-alkylamines depends on the shape of micelles. In the present investigation, pH is measured at different temperatures to elucidate the influence of addition of n-amines on sphere-to-rod transition in aqueous micellar solutions. The surfactants employed in the present investigation are cetyltrimethyl ammonium bromide (CTAB), cetylpyridinium chloride (CPC), and sodium dodecyl sulphate (SDS).As the amine concentration is increased, the pH increases linearly at certain amine concentration and the slope of the resulting straight line changes on further addition of amine. It is noticed that increasing temperature requires more amine for structural transition of aqueous ionic micelles. It is also observed that the effectiveness of added amines leading to shape transition from sphere to rod is in the order of C8NH2>C7NH2> C6NH2.

ZnO: SnO2 nanocomposite efficacy for gas sensing and microbial applications

The unique characteristics of 2-dimensional hetero structure offers efficient gas sensing with high selectivity to identify gases from the interference gases which is quite difficult. In the present work, ZnO: SnO2Nano composite clusters (NCC) is prepared. A resistive metal oxide volatile organic compound (VOC) gas sensor is fabricated with nullifying the effect of humidity by increasing temperature optimally. A single-step SOL-GEL (SG) synthesis is used to prepare ZnO: SnO2 NCC with maximum Zn/Sn molar concentration ratio of 3. The morphological studies through Scanning Electron Microscopy (SEM), electrical properties due to oxygen vacancies and energy band variations of Nanocomposite are measured. The enhancement of gas sensor sensitivity due to highly mesoporous nature of the composite is observed. From the findings, the abundant mesopores in the range of 2 nm-14 nm and specific surface area of 54.2 m2 g?1 with the average crystal size of 14.236 nm, and polar surface area of the composite 25.9651Åis achieved. When compared to bare ZnO and SnO2 gas sensors, the present gas sensor offers the higher selectivity with enhanced performance due to the mesoporous structure. Fast repeatability rate of 2200 sec at 350?C to ethanol is attained and the overall selectivity of the sensor increased twice as 2.085. The NCC compound is tested firstly with micro organisms such as B. subtilis (B. S), Bacillus cereus (B. C), B. coagulans (B. C), Pseudonymous auriginosa (P. A) are considered for antimicrobial activity. From the findings, zinc stannate compound showed good efficacy towards B. cereus Gram positive and P.A gram-negative. A bacterial growth is arrested highly with B. cereus.

Computational studies on the structural variations of MAO-A and MAO-B inhibitors - An in silico docking approach-Supplementary data

The neurological disorder is a concerning problem in the present social scenario. The malfunction of the monoamine oxidase (MAO) enzyme is the responsible factor behind this disorder because this enzyme regulates the metabolism of monoamine neurotransmitters. This work aimed to design and propose the best MAO inhibitors through extensive computational analysis so that the favourable drug-like molecules could be identified for future synthesis. The drugs selected in this study were three MAO-A inhibitors namely Moclobemide, Tolxatone and Brofaromine and two MAO-B inhibitors namely Selegiline and Rasagiline. By substituting hydrophilic and hydrophobic groups at the specified positions, structural variations were designed for each drug. The designed variations and their parent drugs were optimized (basis set is B3LYP/6-311G(d, p)) and the optimized structures were docked to the target using PyRx software. The binding energy of each variation was compared to that of parent drug. The drug-likeness, physicochemical properties (solubility, polarity, flexibility, gastrointestinal absorption, saturation etc.) and toxicity of the lower binding energy variations were analysed using the swissADME, Osiris property explorer and ProTox-II servers. The interacting residues of the enzymes were obtained from the LigPlot+ program. The safe and low binding energy variations with favourable drug properties are suggested for further drug research

Computational studies on the structural variations of MAO-A and MAO-B inhibitors - An in silico docking approach-Supplementary data

The neurological disorder is a concerning problem in the present social scenario. The malfunction of the monoamine oxidase (MAO) enzyme is the responsible factor behind this disorder because this enzyme regulates the metabolism of monoamine neurotransmitters. This work aimed to design and propose the best MAO inhibitors through extensive computational analysis so that the favourable drug-like molecules could be identified for future synthesis. The drugs selected in this study were three MAO-A inhibitors namely Moclobemide, Tolxatone and Brofaromine and two MAO-B inhibitors namely Selegiline and Rasagiline. By substituting hydrophilic and hydrophobic groups at the specified positions, structural variations were designed for each drug. The designed variations and their parent drugs were optimized (basis set is B3LYP/6-311G(d, p)) and the optimized structures were docked to the target using PyRx software. The binding energy of each variation was compared to that of parent drug. The drug-likeness, physicochemical properties (solubility, polarity, flexibility, gastrointestinal absorption, saturation etc.) and toxicity of the lower binding energy variations were analysed using the swissADME, Osiris property explorer and ProTox-II servers. The interacting residues of the enzymes were obtained from the LigPlot+ program. The safe and low binding energy variations with favourable drug properties are suggested for further drug research

Computational studies on the structural variations of MAO-A and MAO-B inhibitors - An in silico docking approach

The neurological disorder is a concerning problem in the present social scenario. The malfunction of the monoamine oxidase (MAO) enzyme is the responsible factor behind this disorder because this enzyme regulates the metabolism of monoamine neurotransmitters. This work aimed to design and propose the best MAO inhibitors through extensive computational analysis so that the favourable drug-like molecules could be identified for future synthesis. The drugs selected in this study were three MAO-A inhibitors namely Moclobemide, Tolxatone and Brofaromine and two MAO-B inhibitors namely Selegiline and Rasagiline. By substituting hydrophilic and hydrophobic groups at the specified positions, structural variations were designed for each drug. The designed variations and their parent drugs were optimized (basis set is B3LYP/6-311G(d, p)) and the optimized structures were docked to the target using PyRx software. The binding energy of each variation was compared to that of parent drug. The drug-likeness, physicochemical properties (solubility, polarity, flexibility, gastrointestinal absorption, saturation etc.) and toxicity of the lower binding energy variations were analysed using the swissADME, Osiris property explorer and ProTox-II servers. The interacting residues of the enzymes were obtained from the LigPlot+ program. The safe and low binding energy variations with favourable drug properties are suggested for further drug research

Anti pathogenic studies of new mixed ligand metal chelates

Drug discovery aimed at the methodical extermination of life-threatening bacterial infection, especially considering the emergence of multi-drug resistance of pathogenic bacteria has remained a challenge for medicinal inorganic chemistry. In this article, the mixed ligand complexes of Cu (II), Co (II), and Ni (II) containing heterocyclic ligands were synthesized and characterized by IR, LC-MS, UV, and TG-DTA. Complexes are screened for Anti-microbial activity against human pathogenic bacteria.