Secondary Metabolites (Essential Oils): In Vitro and In Silico Studies on Human Hepatocellular Carcinoma Cell Lines.

Hepatocellular carcinoma (HCC) is the most common primary liver cancer and the greatest cause of cancer-related death in the world. Garden cress () seeds have been proven to possess extraordinary antioxidant, anti-inflammatory, hypothermic, and analgesic properties. In this study, in vitro cytotoxic efficiency evaluation of fractions was performed against two hepatocellular carcinoma cell lines (HuH-7 and HEPG-2), and the expression of some apoptotic genes was explored.

Efficient drug delivery vehicles of environmentally benign nano-fibers comprising bioactive glass/chitosan/polyvinyl alcohol composites.

Nano-fiber composites have shown promising potential in biomedical and biotechnological applications. Herein, novel nano-fiber composites constituting a blend of polyvinyl alcohol (PVA) and chitosan (CS) along with different weight ratios of nano-bioactive glass (BG) were prepared by electrospinning. Nano-fibers incorporating 10% (by wt.

Phototriggered cytotoxic properties of tricarbonyl manganese(I) complexes bearing α-diimine ligands towards HepG2.

Reaction between bromo tricarbonyl manganese(I) and N,N'-bis(phenyl)-1,4-diaza-1,3-butadiene ligands, bearing different electron-donating and electron-withdrawing groups R = OCH, Cl, and NO in the ortho- and para-positions on the phenyl substituent, afforded [MnBr(CO)(N-N)] complexes. The influence of the character and position of the substituent on the dark stability and carbon monoxide releasing kinetics was systematically investigated and correlated with the data of the time-dependent density functional theory calculations. The combined UV/Vis and IR data clearly revealed that the aerated solutions of [MnBr(CO)(N-N)] in either coordinating or noncoordinating solvents are dark stable and the fluctuations observed during the incubation period especially in the case of the nitro derivatives may be attributed to the exchange of the axial bromo ligand with the coordinating solvent molecules.

Cytotoxicity of photoactivatable bromo tricarbonyl manganese(i) compounds against human liver carcinoma cells.

Two series of photoinduced tricarbonyl manganese(i) compounds were prepared from the reaction of [MnBr(CO)3(2-C(H)[double bond, length as m-dash]O)] (2-C(H)[double bond, length as m-dash]O: quinoline-2-carboxaldehyde and pyridine-2-carboxaldehyde) and para-substituted aniline derivatives (X = OH, OCH3, Cl and NO2). Different electron-donating and electron-withdrawing substituents were introduced in the para-position of the phenyl ring to investigate their influence on the stability of the compounds in the dark and the photophysical properties upon illumination at 525 nm. When kept in the dark, the aerated solutions of the complexes in dimethyl sulfoxide (DMSO) and CH2Cl2 were stable.

Spectroscopic investigation of π-acceptors in the determination and photoinduced degradation of Sulfacetamide.

The presence of expired and unused Sulfacetamide (SA) drug in water led to a global need for the development of effective advanced method for the quantitative analysis and for minimizing its occurrence in the nature. To find new effective photochemical decomposition method close to that obtained by the well-known Fenton reaction, the photodegradation of SA was investigated in presence of dichloro-5,6-dicyano-1,4-benzoquinone (DDQ) and/or other common additives at two different wavelengths (365 and 256 nm). The role of DDQ in the degradation process of SA was evaluated in comparison to the other investigated π-acceptor systems (Chloranilic acid (CHL) and Picric acid (PA)).

Magnetic activated carbon nanocomposite from L. waste (MNSA) for the removal of Coomassie brilliant blue dye from aqueous solution: Statistical design of experiments for optimization of the adsorption conditions.

The present work was carried out to evaluate the removal of Coomassie brilliant blue dye by adsorption onto a magnetized activated carbon nanocomposite (MNSA) prepared from L. (NS) waste. Different techniques, including infrared spectroscopy, scanning electron microscopy, and nitrogen adsorption/desorption, were used to characterize MNSA to investigate its adsorption properties.

Molecularly imprinted polymers based biomimetic sensors for mosapride citrate detection in biological fluids.

Computational modeling was applied to study the intermolecular interactions in the pre-polymerization mixture and find a suitable functional monomer to use in the design of a new molecularly imprinted polymer (MIP) for mosapride citrate which is considerably a large molecule (as the citrate ion is also included in calculations as it has centers that can take part in interaction with monomer via hydrogen bonding). Based on these calculations, methacyrlic acid (MAA) was selected as a suitable functional monomer. Mosapride citrate selective MIP and a non-imprinted polymer (NIP) were synthesized and characterized using FTIR, TGA and SEM and then incorporated in carbon paste electrodes (CPEs).

Anti-proliferative Activities of Metallic Nanoparticles in an in Vitro Breast Cancer Model.

Aims: To investigate effect of metallic nanoparticles, silver (AgNPs) and gold nanoparticles (AuNPs) as antitumor treatment in vitro against human breast cancer cells (MCF-7) and their associated mechanisms. This could provide new class of engineered nanoparticles with desired physicochemical properties and may present newer approaches for therapeutic modalities to breast cancer in women.

Materials And Methods: A human breast cancer cell line (MCF-7) was used as a model of cells.

Individual and competitive adsorption of phenol and nickel onto multiwalled carbon nanotubes.

Individual and competitive adsorption studies were carried out to investigate the removal of phenol and nickel ions by adsorption onto multiwalled carbon nanotubes (MWCNTs). The carbon nanotubes were characterized by different techniques such as X-ray diffraction, scanning electron microscopy, thermal analysis and Fourier transformation infrared spectroscopy. The different experimental conditions affecting the adsorption process were investigated.

Novel Ni(II) and Zn(II) complexes coordinated by 2-arylaminomethyl-1H-benzimidazole: molecular structures, spectral, DFT studies and evaluation of biological activity.

[NiL(1,2)Cl(2)(OH(2))(3)]·zH(2)O and [ZnL(1,2)(CH(3)CO(2))(2)] (L(1)=(1H-benzimidazol-2-ylmethyl)-N-phenyl amine, z=0 and L(2)=2-[(1H-Benzimidazol-2-ylmethyl)-amino]-benzoic acid methyl ester, z=1) complexes have been synthesized and characterized by a variety of physico-chemical techniques. The central Ni(II) ion is coordinated by only the pyridine-type nitrogen (N(py)) of benzimidazole ring, three water molecules and two chlorido ligands forming a distorted octahedral geometry. Five coordinated zinc complexes were obtained, where the coordination sphere of zinc ion is made up of secondary amino group (NH(sec)), N(py) and two acetate groups, one acts as a unidentate and the other as a bidentate.

Construction and performance characteristics of new ion selective electrodes based on carbon nanotubes for determination of meclofenoxate hydrochloride.

This work offers construction and comparative evaluation the performance characteristics of conventional polymer (I), carbon paste (II) and carbon nanotubes chemically modified carbon paste ion selective electrodes (III) for meclofenoxate hydrochloride are described. These electrodes depend mainly on the incorporation of the ion pair of meclofenoxate hydrochloride with phosphomolybdic acid (PMA) or phosphotungestic acid (PTA). They showed near Nernestian responses over usable concentration range 1.

Molecular structures of 2-arylaminomethyl-1H-benzimidazole: spectral, electrochemical, DFT and biological studies.

In the present work, structural studies on (1H-benzimidazol-2-ylmethyl)-N-(4-chloro-phenyl)-amine (L(1)) and (1H-benzimidazol-2-ylmethyl)-N-(4-iodo-phenyl)-amine (L(2)) have been done extensively by a variety of physico-chemical techniques. Optimized geometrical structures, harmonic vibrational frequencies, natural bonding orbital (NBO) analysis, and Frontier molecular orbitals (FMO) were obtained by DFT/B3LYP method. TD-DFT calculations help to assign the electronic transitions.

Molecular structure of 2-chloromethyl-1H-benzimidazole hydrochloride: single crystal, spectral, biological studies, and DFT calculations.

In the present work, structural studies on 2-chloromethyl-1H-benzimidazole hydrochloride have been performed extensively by X-ray crystallography, (1)H NMR, FT-IR, UV/vis, and elemental analysis. The title compound crystallizes in a monoclinic space group P2(1)/c with a=7.1982 (3) Å, b=9.

Novel palladium(II) and platinum(II) complexes with 1H-benzimidazol-2-ylmethyl-N-(4-bromo-phenyl)-amine: structural studies and anticancer activity.

[MLCl(2)] (L = (1H-benzimidazol-2-ylmethyl)-N-(4-bromo-phenyl)-amine; M = Pd & Pt) and [PdL(OH(2))(2)]∙2X∙zH(2)O (X = Br, I, z = 2; X = SCN, z = 1; X = NO(3), z = 0) complexes have been synthesized as potential anticancer compounds and their structures were elucidated using elemental analysis, spectral, thermal analysis and X-ray powder diffraction. The benzimidazole (L) crystallizes in the space group P2(1)/c with a = 8.6660(3) Å, b = 16.

2-[(1H-benzimidazol-2-ylmethyl)-amino]-benzoic acid methyl ester: crystal structure, DFT calculations and biological activity evaluation.

In the present study, structural properties of 2-[(1H-benzimidazol-2-ylmethyl)-amino]-benzoic acid methyl ester have been studied extensively by spectral methods and X-ray crystallography. Quantum mechanical calculations of energies, geometries, vibrational wavenumbers, NMR and electronic transitions were carried out by DFT using B3LYP functional combined with 6-31G(d) basis set. Natural bond orbitals (NBO) analysis and frontier molecular orbitals were performed at the same level of theory.

Structural and in vitro cytotoxicity studies on 1H-benzimidazol-2-ylmethyl-N-phenyl amine and its Pd(II) and Pt(II) complexes.

[MLCl(2)]·zH(2)O (L = (1H-benzimidazol-2-ylmethyl)-N-phenyl amine; M = Pd, z = 0; M = Pt, z = 1) and [PdL(OH(2))(2)]·2X·zH(2)O (X = Br, I, NO(3), z = 0; X = SCN, z = 1) complexes were synthesized as potential anticancer compounds and characterized by elemental analysis, spectral and thermal methods. FT-IR and (1)H NMR studies revealed that the benzimidazole L is coordinated to the metal ions via the pyridine-type nitrogen (N(py)) of the benzimidazole ring and secondary amino group (NH(sec)). Quantum mechanical calculations of energies, geometries, vibrational wavenumbers, and (1)H NMR of the benzimidazole L and its complexes were carried out by density functional theory using B3LYP functional combined with 6-31G(d) and LANL2DZ basis sets.

Cinchocaine hydrochloride determination by atomic absorption spectrometry and spectrophotometry.

Two sensitive spectrophotometric and atomic absorption spectrometric procedures have been developed for determination of cinchocaine hydrochloride (Cin.Cl) in pure form and in pharmaceutical formulation. The spectrophotometric method was based on formation of an insoluble colored ion-associate between the cited drug and tetrathiocyanatocobaltate (CoTC) or hexathiocyanatochromate (CrTC) which dissolved and extracted in an organic solvent.

Determination of ambroxol hydrochloride in pure solutions and some of its pharmaceutical preparations under batch and FIA conditions.

New ambroxol (Amb) ion selective plastic membrane electrodes of both conventional and coated graphite types based on the ion-pair of ambroxolium tetraphenylborate (Amb-TPB) ion-pair are prepared. The conventional type electrode was fully characterized in terms of membrane composition, life span, pH, ionic strength and temperature. It was applied to potentiometric determination of ambroxol in pure solutions and pharmaceutical preparations under batch and flow injection conditions.

Flow injection potentiometric determination of amantadine HCl.

New amantadine (Am) ion selective plastic membrane electrodes of both conventional and coated graphite types based on the ion-pair of amantadinium tetraphenylborate (Am-TPB) ion-pair are prepared. The conventional type electrode was fully characterized in terms of membrane composition, life span, pH, ionic strength and temperature. It was applied to potentiometric determination of amantadine in pure state and pharmaceutical preparation under batch and flow injection conditions.