Regioselective One-Pot Synthesis,Biological Activity and Molecular Docking Studies of Novel Conjugates N-(p-Aryltriazolyl)-1,5-benzodiazepin-2-ones as Potent Antibacterial and Antifungal Agents

Novel 1,2,3-triazolo-linked-1,5-benzodiazepinones were designed and synthesized via a Cu(I)-catalyzed 1,3-dipolar alkyne-azide coupling reaction (CuAAC). The chemical structures of these compounds were confirmed by ¹H NMR, ¹³C NMR, HMBC, HRMS, and elemental analysis. The compounds were screened for their in vitro antibacterial and antifungal activities. Several compounds exhibited good to moderate activities compared to those of established standard drugs. Furthermore, the binding interactions of these active analogs were confirmed through molecular docking.     

Synthesis of indolylalkylphosphonates and 3-(1-diphenylphosphinoalkyl) indoles by reaction of 3-(1-arylsulfonylalkyl) indoles with phosphorus derivatives

Dialkyl phosphites as well as diphenylphosphine react with 3-(1-arylsulfonylalkyl) indoles under basic conditions leading to a formal substitution of the arylsulfonyl group through a reactive 3-alkylidene indole intermediate.     

Polymer inclusion membranes: The concept of fixed sites membrane revised

The mechanism of facilitated transport of metal ions across polymer inclusion membranes (PIMs) is revised on the basis of transport flux measurements and of new data brought by techniques sensitive to local inter-molecular interactions and molecular diffusion. Cellulose triacetate (CTA) membranes built with two types of inclusion carriers: a liquid one Aliquat 336 and a crystalline one Lasalocid A, both able to carry metal ions across PIMs and supported liquid membranes (SLMs) made of the same components, have been compared. Both PIM systems show similar effects for what concern the need of a carrier threshold concentration for the occurrence of a transport flux across PIM as revealed by flux and fluorescence correlation spectroscopy (FCS) measurements, and the dependence of the chemical nature of plasticizers on the metal ion flux. These systems also present similar Raman and far IR signatures of structural evolution of PIMs with the increase of the carrier concentration within the CTA matrix.

All the presented data are interpreted as concern PIMs, according to an evolution of chemical interactions between components of the polymeric membrane able to lead to a phase transition. This phase transition type of the carrier-plasticized polymer system is induced by the increase of carrier concentration in the polymer chains. The PIM progressively organizes itself like a liquid SLM because of the enhancement of preferential solvent interactions between the carrier and the plasticizer.

The main conclusion of this study is that the classically adopted “hopping” transport mechanism between fixed carrier sites in a PIM does not apply to such carrier chemically unbound to polymer membrane systems.     

Correlation of the acidity of substituted phenols,anilines, and benzoic acids calculated by MNDO,AM1, and PM3 with Hammett-type substituent constants

Heats of formation and net atomic charges of some 120 structures involving substituted phenols, anilines, and benzoic acids and the corresponding anions were calculated by MNDO, AM1, and PM3 semiempirical methods. The gas phase acidities of substituted phenols and anilines and the net atomic charges on the anionic heteroatoms of the corresponding anions have been successfully correlated with σ^? constants. Moreover, good correlations with σ were found for the charges on the acidic hydrogens of substituted phenols and anilines. In contrast, the gas phase acidities of substituted benzoic acids and the charges on the anionic oxygens of the corresponding anions are better correlated with Taft σ° constants. Comparisons of these results with experimental data and ab initio theoretical calculations indicate that AM1 and PM3 methods are much better than MNDO in predicting the acidity of aromatic compounds.     

Further results of existence of positive solutions of elliptic Kirchhoff equation with general nonlinearity of source terms

The paper deals with some existence results for elliptic Kirchhoff equations with respect to general nonlinear source terms and changing sign data, where we have used three different methods: direct variational method, Galerkin approach, and subsolution–supersolution method.     

Contribution to the Modelling of Coupled Heat and Mass Transfers on 3D Real Structure of Heterogeneous Building Materials: Application to Hemp Concrete

Hydraulic flow, electrical flow and the passage of elastic waves through porous media are all linked by electrokinetic processes. In its simplest form, the passage of elastic waves through the porous medium causes fluid to flow through that medium and that flow gives rise to an electrical streaming potential and electrical counter-current. These processes are frequency-dependent and governed by coupling coefficients which are themselves frequency-dependent. The link between fluid pressure and fluid flow is described by dynamic permeability, which is characterised by the hydraulic coupling coefficient (C_hp). The link between fluid pressure and electrical streaming potential is characterised by the streaming potential coefficient (C_sp). While the steady-state values of such coefficients are well studied and understood, their frequency dependence is not. Previous work has been confined to unconsolidated and disaggregated materials such as sands, gravels and soils. In this work, we present an apparatus for measuring the hydraulic and streaming potential coefficients of high porosity, high permeability consolidated porous media as a function of frequency. The apparatus operates in the range 1 Hz to 2 kHz with a sample of 10 mm diameter and 5–30 mm in length. The full design and validation of the apparatus are described together with the experimental protocol it uses. Initial data are presented for three samples of Boise sandstone, which present as dispersive media with the critical transition frequency of 918.3?±?99.4 Hz. The in-phase and in-quadrature components of the measured hydraulic and streaming potential coefficients have been compared to the Debye-type dispersion model as well as theoretical models based on bundles of capillary tubes and porous media. Initial results indicate that the dynamic permeability data present an extremely good fit to the capillary bundle and Debye-type dispersion models, while the streaming potential coefficient presents an extremely good fit to all of the models up to the critical transition frequency, but diverges at higher frequencies. The streaming potential coefficient data are best fitted by the Pride model and its Walker and Glover simplification. Characteristic pore size values calculated from the measured critical transition frequency fell within 1.73% of independent measures of this parameter, while the values calculated directly from the Packard model showed an underestimation by about 12%.

     

PMR Determination of Isoniazid

A PMR analytical procedure is described for the quantitation of isoniazid (4-pyridinecarboxylic acid hydrazide) as a drug entity and in tablets dosage form. The method is accurate and precise with a standard deviation of ± 1.51 and ± 1.34 in the bulk drug and in tablets respectively. The results obtained comply with the official standards required by different pharmacopeias. The PMR spectrum, in addition, provides a very specific mean for identification of isoniazid.