Chloro(η6‐p‐cymene)(2‐methyl‐5‐oxo‐7‐phenyl‐5,6‐di­hydro‐2H‐1,2,4‐triaz­epine‐3‐thiol­ato‐κ2N4,S)­ruthenium(II)

The novel title ruthenium(II) complex, [RuCl(C₁₀H₁₄)(C₁₀H₁₀N₃OS)], was synthesized from the reaction of 1,2,4‐triazepine, a new class of bidentate ligands, with [Ru(p‐cymene)Cl₂]₂. The 1,2,4‐triazepine ligand is coordinated to the metal centre through the N‐4 and S atoms, forming a four‐membered chelate ring. This is the first structural example of a transition metal complex containing a 1,2,4‐triazepine ligand.     

Transport of kaolinite colloids through quartz sand: influence of humic acid, Ca(2+), and trace metals

To evaluate the risk of contaminant transport by mobile colloids, it seems essential to understand how colloids and associated pollutants behave during their migration through uncontaminated soil or groundwater. In this study, we investigated at pH 4 the influence of flow velocity, humic acid, solution Ca(2+) concentrations, and trace metals (Pb(2+), Cu(2+)) on the transport and deposition of kaolinite particles through a pure crystalline quartz sand as porous medium. A short-pulse chromatographic technique was used to measure colloid deposition. Adsorption of humic acid to the kaolinite increase its negative surface charge and then decrease colloid deposition. Experiments with different flow rates showed that humic-coated kaolinite colloid deposition followed a first-order kinetic rate law. The deposition rate coefficients of humic-coated kaolinite colloids increase with increasing Ca(2+) concentration in the suspension. The effect of trace metals on the mobility is studied by injecting two suspensions with different concentrations of Pb(2+) and Cu(2+). At very low cation concentration, the fraction of colloids retained is low and roughly independent of the nature of divalent cations. At high concentration, the deposition is higher and depends on the affinity of divalent cations toward humic-coated kaolinite colloids.     

Enthalpies molaires d'exces des melanges binaires thiophene et diethylsulfide avec n-alcanes

The excess molar enthalpy of thiophen and diethylsulfid with some n alkanes have been measured at 303.15 K and 1 atm. A Redlich—Kister type equation was used to represent and correlate the results. Empirical equations of group contribution model, disquac have been applied for the binaries systems.This revised version was published online in November 2005 with corrections to the Cover Date.     

The Use of Modified Clay as an Efficient Heterogeneous and Ecofriendly Catalyst for the Synthesis of Chalcones via Claisen-Schmidt Condensation

Russian Journal of Applied Chemistry - Clay modified by potassium fluoride (KF-modified clay) was used as an ecological alternative and heterogeneous catalyst for the preparation of chalcones via...     

An approach to the interpretation of backpropagation neural network models in QSAR studies

An approach to the interpretation of backpropagation neural network models for quantitative structure-activity and structure-property relationships (QSAR/QSPR) studies is proposed. The method is based on analyzing the first and second moments of distribution of the values of the first and the second partial derivatives of neural network outputs with respect to inputs calculated at data points. The use of such statistics makes it possible not only to obtain actually the same characteristics as for the case of traditional "interpretable" statistical methods, such as the linear regression analysis, but also to reveal important additional information regarding the non-linear character of QSAR/QSPR relationships. The approach is illustrated by an example of interpreting a backpropagation neural network model for predicting position of the long-wave absorption band of cyane dyes.     

Ethnobotanical study of some aromatic and medicinal plants in the Middle Atlas mountains of Morocco

By the diversity of its soil and climatic factors, Morocco offers a flora particularly rich in aromatic and medicinal plants (MAP). In order to obtain the most information about the flora (flowering times, fruiting, harvesting and their main uses in traditional medicine), a study was conducted in the mountainous Khenifra region. A survey of users of MAP (rural population, herbalists arborists) has been undertaken and was completed by field observations and sampling at different stages of growth. The results showed a range of indigenous and diversified MAP belonging to 10 botanical families (Lamiaceae, Asteraceae, Rosaceae, Chenopodiaceae, Papaveraceae, Caryophyllaceae, Cupressaceae, Rutaceae, Anacardiaceae and Zygophyllaceae). The flowering period of all species, according to the local community surveyed, spread from February (2%) to September (12%), with a significant concentration from April to June (65%).The highest rate of fructification occurred in June-July (64%). The harvesting period of the main MAP from this mountain area stretches mainly from March to April (61%). The mode of propagation stated varied among species, and concerned mainly replication by seeds (53%) and cuttings (24%). Regarding the use of these indigenous MAP as traditional medicines, all plant parts are used, especially leaves, flowers and stems.     

Diastereoselective preparation of novel tetrahydrooxazinones via heterocycloaddition of N-Boc, O-Me-acetals

Under Lewis acid conditions, reaction of N-Boc, O-Me acetals with the (R)-(+)-O-vinyl-pantolactone does not lead to the expected dihydrooxazine, but to the corresponding tetrahydrooxazinone, as a result of the loss of the t-Bu group. A diastereoselective and asymmetrical way to these new heterocyclic compounds is described, together with the first evidence of their ability to undergo N-acylation.     

Efficient Approach for the Synthesis of Novel Functionalized Isoxazolines from Limonene

New functionalized isoxazolines were effeciently and easily prepared from limonene. The procedure involves a peri‐ and regioselective 1,3‐dipolar cycloaddition of nitrile oxides on the monoterpene external double bond, followed by a highly chemoselective RuCl₃‐NaIO₄ oxidative cleavage of the internal one. All the newly prepared isoxazolyl‐ketoacids were fully characterized from their spectroscopic data.     

Prospecting Quantum Correlations and Examining Teleportation Fidelity in a Pair of Coupled Double Quantum Dots System

The topic of improving the ability of quantum systems to retain non-local features and enhance the efficiency of quantum protocols continues. This study delves into the thermal investigation of quantum correlations and teleportation fidelity of a two-qubit teleported state using excess electrons in a coupled double quantum dots system as a quantum channel. The study employs three reliable quantum quantifiers to prospect the resourcefulness and non-classicality of the system. The findings suggest that preserving quantum correlations and optimizing teleportation fidelity require minimizing tunneling coupling and maximizing Coulomb interaction. The study has significant implications for quantum physics and its practical applications in quantum information processing.