Molecular docking and physicochemical studies of 1,3-benzodioxole tagged Dacarbazine derivatives as an anticancer agent.

Cancer, the biggest cause of death globally, remains a tough illness despite enormous advances in therapy. In the present study, 1,3-benzodioxole-tagged dacarbazine derivates were investigated as microtubule inhibitors in order to control cancer as microtubules are involved in cell proliferation. The tubulin protein was analyzed and its structure was validated by various protein validation tools. The binding potential of 1,3-benzodioxole-based dacarbazine-tagged derivatives with tubulin was checked using molecular docking software HEX 8.0 CUDA and AutoDock Vina. Swiss ADME online Web server and pkCSM are used for studying pharmacokinetic and pharmacological studies of compounds. The docking analysis ADME studies displayed that Compounds 1 and 2 bind effectively with the tubulin protein and showed potential properties to use as a potent anticancer drug.

An Exploration of Electrocatalytic Analysis and Antibacterial Efficacy of Electrically Conductive Poly (D-Glucosamine)/Graphene Oxide Bionanohybrid.

The diversification of environment congenial and conservative nanocomposites is prestigious because of increasing contamination in biota. Poly (D-glucosamine), a natural biopolymer is contemplated as a promising biodegradable polysaccharide for various applications mainly in food packaging, bone substitutes, and water filtration. The drawback of poly (D-glucosamine) is nadir mechanical strength and high hydrophilicity which could be amended by the introduction of graphene oxide (GO) nanoparticles (shows excellent load transfer). Homogeneous distribution and well dispersion of GO nanoparticles in poly (D-glucosamine) matrix have been concluded by SEM investigation. Inclusions of 1% GO into the biopolymer matrix results in enhancement of 83.21 MPa of tensile strength in contrary to pristine poly (D-glucosamine). It can be elucidated that increment in properties is due to the crosslinking reaction takes place between the amine and epoxide moieties that exist within poly (D-glucosamine) matrix and GO respectively. The thermal stability of nanocomposites has been increased on addition of nanofiller confirmed by TGA analysis. The resultant nanocomposites were examined for antimicrobial screening against various contagious bacterial strains for packaging applications. Electrochemical characteristics and capacitive investigation of the composites were also studied using cyclic voltammetry and impedance (EIS) respectively. EIS elucidated that the nanocomposite modified electrode exhibited good capacitance behaviour with the Bode phase angle (-45°) which proves the candidates have good capacitive properties. The electrocatalytic properties are found to be diffusion controlled in alkaline medium with good electrical conductivity with low resistance. It is envisioned that the resultant bionanocomposite has potential applications in packaging industry.

Titania nanofibers in gypsum composites: an antibacterial and cytotoxicology study.

Further developments of antibacterial coatings based on photocatalytic nanomaterials could be a promising route towards potential environmentally friendly applications in households, public buildings and health care facilities. Hereby we describe a simple chemical approach to synthesize photocatalytic nanomaterial-embedded coatings using gypsum as a binder. Various types of TiO2 nanofiber-based photocatalytic materials (nitrogen-doped and/or palladium nanoparticle decorated) and their composites with gypsum were characterized by means of scanning (SEM) and transmission (TEM) electron microscopy as well as electron and X-ray diffraction (XRD) and energy-dispersive X-ray spectroscopy (EDX) techniques. These gypsum-based composites can be directly applied as commercially available paints on indoor walls. Herein we report that surfaces coated with photocatalytic composites exhibit excellent antimicrobial properties by killing both methicillin-sensitive Staphylococcus aureus (MSSA) and methicillin-resistant Staphylococcus aureus (MRSA) under blue light. In the case of MSSA cells, the palladium nanoparticle-decorated and nitrogen-doped TiO2 composites demonstrated the highest antimicrobial activity. For the MRSA strain even pure gypsum samples were proven to be efficient in eradicating Gram-positive human pathogens. The cytotoxicity of freestanding TiO2 nanofibers was revealed by analyzing the viability of HeLa cells using MTT and fluorescent cell assays.

Spectral, thermal and electrochemical investigation of carbohydrazone derived ionophore as Fe(III) ion selective electrode.

Dibenzoylmethane bis(carbohydrazone) (BMBC) has been synthesized and structurally characterized on the basis of IR, (1)H NMR, mass, UV spectra and thermogravimetric analyses. BMBC has been analysed electrochemically and explored as new N, N Schiff base. It plays the role of an excellent ion carrier in the construction of iron(III) ion selective membrane sensor. This sensor shows very good selectivity and sensitivity towards iron ion over a wide variety of cations, including alkali, alkaline earth, transition and heavy metal ions. The response mechanism was discussed in the view of UV-spectroscopy and Electrochemical Impedance Spectroscopy (EIS). The proposed sensor was successfully used for the determination of iron in different samples.

Photocatalytic activity of TiO2 nanoparticles: effect of thermal annealing under various gaseous atmospheres.

The structure, composition and photocatalytic activity of TiO(2) nanoparticles annealed in various gas atmospheres (N(2), NH(3) and H(2)) were studied in this work. The effect of treatment on crystal structure, particle size, chemical composition and optical absorbance were assessed by means of x-ray diffraction, transmission electron microscopy, x-ray photoelectron spectroscopy and diffuse optical reflectance/transmittance measurements, respectively. Photocatalytic properties of the materials were evaluated by three different methods: degradation of methyl orange in water, killing of Staphylococcus aureus bacteria and photogeneration of radicals in the presence of 3-carboxy-2,2,5,5-tetramethyl pyrrolidine-1-oxyl (PCA) marker molecules. The results indicate that the correlation between pretreatment and the photocatalytic performance depends on the photocatalytic processes and cannot be generalized.

Phase-transfer and film formation of silver nanoparticles.

In this article, a simple method for either transfer of silver nanoparticles from formamide to chloroform or to form a film at their interface is demonstrated. The transfer of the particles is a two-step size-dependent process. The size distribution of the colloidal hydrophobic silver particles in chloroform was almost the same as that before its transfer. Particles can be isolated by evaporation of chloroform. During evaporation, the hydrophobic particles become hydrophilic (charged) due to the formation of bilayer of CTAB over their surface. The isolated particles can be re-dispersed easily in polar solvents such as water and methanol. Nanocrystalline film of Ag is also prepared at the formamide-chloroform interface using suitable stabilizers in two immiscible layers. The nanocrystals have been characterized by various microscopic and spectroscopic techniques. The free standing film could be easily transferred on solid support.

Synthesis of silver nanoprisms in formamide.

Polygonal (mainly triangular) silver nanoprisms were prepared by reducing silver perchlorate in formamide in the presence of polyethylene glycol (PEG) at room temperature. The reduction of silver ions by formamide leads to the deposition of arrays of triangular shaped silver nanoparticles on the glass walls of the container, accompanied by evolution of CO2 gas. In the presence of poly(N-vinyl-2-pyrrolidone) (PVP) and PEG (1:1), both nanospheres and nanoprisms are formed.

Preparation, characterization, and surface modification of silver nanoparticles in formamide.

The reduction of silver ions in formamide is shown to take place spontaneously at room temperature without addition of any reductant. The growth of Ag particles was found to be dependent on Ag+ ion concentration. In the absence of any stabilizer, deposition of silver film on the glass walls of the container takes place. However, in the presence of poly(N-vinyl-2-pyrrolidone) (PVP) or colloidal silica (SiO2), which are capable of stabilizing silver nanoparticles by complexing and providing support, a clear dispersion was obtained. The formation of the silver nanoparticles under different conditions was investigated through UV-visible absorption spectrophotometry, gas chromatography, and also electron and atomic force microscopic techniques. Atomic force microscopy results for silver films prepared in the absence of any stabilizer showed the formation of polygonal particles with sizes around 100 nm. Transmission electron microscopy results showed that the prepared silver particles in the presence of PVP were around 20 nm. The Ag nanoparticles get oxidized in the presence of chloroform and toluene. Surface modification of silver film was done in the presence of the tetrasodium salt of ethylenediaminetetraaceticacid (Na4EDTA). It was shown that the reactivity of the silver film increased in its presence. The Fermi potential of silver particles in the presence of Na4EDTA seems to lie between -0.33 and -0.446 V vs NHE.