New theoretical expressions for the five adsorption type isotherms classified by BET based on statistical physics treatment

New theoretical expressions to model the five adsorption isotherm types have been established. Using the grand canonical ensemble in statistical physics, we give an analytical expression to each of five physical adsorption isotherm types classified by Brunauer, Emett, and Teller, often called BET isotherms. The establishment of these expressions is based on statistical physics and theoretical considerations. This method allowed estimation of all the mathematical parameters in the models. The physicochemical parameters intervening in the adsorption process that the models present could be deduced directly from the experimental adsorption isotherms by numerical simulation. We determine the adequate model for each type of isotherm, which fixes by direct numerical simulation the monolayer, multilayer, or condensation character. New equations are discussed and results obtained are verified for experimental data from the literature. The new theoretical expressions that we have proposed, based on statistical physics treatment, are rather powerful to better understand and interpret the various five physical adsorption type isotherms at a microscopic level.     

Thermal degradation studies of alkyl-imidazolium salts and their application in nanocomposites

Increasing the thermal stability of organically-modified layered silicates is one of the key points in the successful technical application of polymer-layered silicate nanocomposites on the industrial scale. To circumvent the detrimental effect of the lower thermal stability of alkyl ammonium-treated montmorillonite, a series of alkyl-imidazolium molten salts were prepared and characterized by elemental analysis, thermogravimetry (TGA) and thermal desorption mass spectroscopy (TDMS). The effect of counter ion, alkyl chain length and structural isomerism on the thermal stability of the imidazolium salts was investigated. Alkyl-imidazolium-treated montmorillonite clays were prepared by ion exchange of the imidazolium salts with Na-montmorillonite. These organically-modified clays were characterized by X-ray diffraction (XRD), TDMS and thermogravimetry coupled with Fourier transform infrared spectroscopy (TGA-FTIR), and compared to the conventional quaternary alkyl ammonium montmorillonite. Results indicate that the counter ion has an effect on the thermal stability of the imidazolium salts, and that imidazolium salts with PF₆⁻, N(SO₂CF₃)₂⁻ and BF₄⁻ anions are thermally more stable than the halide salts. A relationship was observed between the chain length of the alkyl group and the thermo-oxidative stability; as the chain length increased from propyl, butyl, decyl, hexadecyl, octadecyl to eicosyl, the stability decreased. The results also show that the imidazolium-treated montmorillonite has greater thermal stability compared to the imidazolium halide. Analysis of the decomposition products by FTIR provides an insight about the decomposition products which are water, carbon dioxide and hydrocarbons.     

Influence of the building material and ventilation rate on the concentration of radon, thoron and their progenies in dwelling rooms using SSNTD and Monte Carlo simulation

A new Monte Carlo computer code was developed for determining the detection efficiencies of the CR-39 and LR-115 II solid state nuclear track detectors (SSNTD) for a-particles emitted by radon (²²²Rn) and thoron (²²⁰Rn) series inside the atmosphere of dwelling rooms. Alpha-activities due to radon, thoron and their decay products, were evaluated for the determination of the detection efficiencies of the SSNTD utilized for the emitted a-particles by measuring the corresponding track densities. The influence of the ventilation rate and building material on the concentration of radon, thoron and their progenies was investigated. Equilibrium factors between radon and its progeny and between thoron and its daughters have been evaluated in the air of the rooms.     

Staphylococcus aureus bicomponent gamma-hemolysins, HlgA, HlgB, and HlgC, can form mixed pores containing all components

Staphylococcal gamma-hemolysins are bicomponent toxins forming a protein family with leucocidins and alpha-toxin. Two active toxins (AB and CB) can be formed combining one of the class-S components, HlgA or HlgC, with the class-F component HlgB. These two gamma-hemolysins form pores with marked similarities to alpha-toxin in terms of conductance, nonlinearity of the current-voltage curve, and channel stability in the open state. AB and CB pores, however, are cation-selective, whereas alpha-toxin is anion-selective. gamma-Hemolysins' pores are hetero-oligomers formed by three or four copies of each component (indicated as 3A3B and 3C3B or 4A4B and 4C4B). Point mutants located on a beta-strand of the class-S component that forms part of the protomer-protomer contact region can prevent oligomer assembly. Interestingly, these mutants inhibit growth of pores formed not only by their natural components but also by nonstandard components. This lead to the hypothesis that mixed ABC pores could also be formed. By studying the conductance of pores, assembled in the presence of all three components (in different ratios), it was observed that the magnitudes expected for mixed pores were, indeed, present. We conclude that the gamma-hemolysin/leucocidin bicomponent toxin family may form a larger than expected number of active toxins by cross-combining various S and F components.     

Synthese De (1,2a)Benzimidazolo-1,3,5,2-triazaphosphorine-2-oxides

The reaction of hexamethylphosphotriamide or methylphosphonic bis(dimethylamide) compounds with amidines derived from N-Benzimidazoyl imidates 1 leads to (1,2a)benzimidazolo-1,3,5,2-tiazaphosphorine-2-oxides 4 in good yields. If the condensation is realized at room temperature, N-phosphonic amidines 3 can be isolated as intermediates. The isolated compounds 2 , 3 , and 4 are identified by spectroscopic methods: IR, 1 H, 13 C, 31 P, NMR, and M.S.     

SYNTHESIS AND REACTVITY OF N-[N-PHOSPHORAMIDO-1H-BENZIMIDAZOL-2-YL] IMIDATES

N-(-1H-Benzimidazol-2-yl) imidates 1a–c react with chlorophosphoramide to give the N-[-1-N,N,N′,N′-tetramethylphosphoramidoyl-1H-benzimidazol-2-yl]-imidates 2a–c or with dichlorophosphoramide to yield the bis[(N-1-benzimidazol-2-yl)-imidate] phosphoramide derivatives 3a–b. The reaction of compounds 2a–c toward primary amines is studied. The obtained amidine derivatives 4a–b were unambiguously characterized by different spectroscopic techniques (IR, ¹H, ¹³C, and ³¹P NMR, and in some cases MS).     

Synthesis,spectroscopic characterization,thermal behaviour,in vitro antimicrobial and anticancer activities of novel ruthenium tricarbonyl complexes containing monodentate V‐shaped Schiff bases

The interaction of Ru₃(CO)₁₂ with a novel family of monodentate V‐shaped Schiff base ligands (L^1–4; L¹: (E)‐1‐(4‐((4‐bromobenzylidene)amino)phenyl)ethanone, L²: (E)‐1‐(3‐(4‐(dimethylamino)benzylideneamino)phenyl)ethanone, L³: (E)‐1‐(4‐(4‐(dimethylamino)benzylideneamino)phenyl)ethanone, L⁴: (E)‐1‐(3‐(3,4‐dimethoxybenzylideneamino)phenyl)ethanone) in air under atmospheric pressure afforded the novel complexes [Ru(CO)₃(L^1–4)₂]. The parent ligands and their complexes were characterized using elemental analyses and spectroscopic techniques. In addition, the structure of the representative ligand L¹ was determined using single‐crystal X‐ray analysis. The stereochemistry and theoretical optimization of the three‐dimensional geometry of the ligands and their complexes were justified. In vitro antimicrobial screening against bacterial stains Escherichia coli and Staphylococcus aureus and fungus Candida albicans was conducted. Cytotoxicity of the compounds as anti‐tumour agents was evaluated against liver carcinoma (HepG2), breast carcinoma (MCF7) and colon carcinoma (HCT‐116) cell lines relative to cisplatin and doxorubicin. The complexes showed variable in vitro cytotoxic activities against the three studied cell lines, with IC₅₀ values less than those of cis‐platin, and thus appear to be building blocks for promising anti‐tumour agents.     

Structural characterization and hydrogen sorption properties of the Mg50Ni45Cr5 alloy

The Mg₅₀Ni₄₅Cr₅ alloy for hydrogen storage is prepared by mechanical alloying. First, using the X-ray diffraction (XRD) and the scanning electron microscopy (SEM) we examine the morphology and the structure of the substrate. The obtained results highlight the effectiveness of this alloy in loading hydrogen as it is a nanocrystalline and a ductile one. Second, we attempt to justify these expectations using the statistical physic, precisely the model monolayer with two levels of energy, in modeling a hydrogen absorption and desorption isotherms on Mg₅₀Ni₄₅Cr₅ alloy at four temperatures T?=?275?K, T?=?300?K, T?=?325?K and T?=?350?K. The model has six physicochemical parameters deduced from the fitting of the isotherms, they are divided by two categories of steric and energetic parameters. Thanks to these parameters we compare the absorption and desorption processes, in order to highlight the hysteresis phenomenon encountered during the hydrogen sorption.     

NOUVELLE SYNTHÈSE DE [1,2-A]BENZIMIDAZOLO-1,3,5,2-TRIAZAPHOSPHORINES ET DE [1,2-A]BENZIMIDAZOLO-1,3,5,2- TRIAZAPHOSPHORINE-2-THIONES

The condensation of N₁-benzimidazolyl amidines 1 with tris(dimethy- lamino)phosphine leads to the corresponding [1,2a]Benzimidazolo-1,3,5,2-triazaphosphorines 3 . The N₂-phosphoroamidine intermediates 2′ are isolated and yielded the corresponding cyclic compounds 4 upon heating. The oxidation by sulfur of the compounds 3 gives the thiooxide derivatives 4 .

The structure of these compounds is unambiguously confirmed by IR, ¹H, ³¹P, and ¹³C NMR spectroscopy and by MS for some products.