Reaction of nitrilimines with 2-substituted aza-heterocycles. Synthesis of pyrrolo[1,2-a]pyridine and pyrimido[2,1-d]1,2,3,5- tetrazine

The reaction of nitrilimine 6a with ethyl pyridine-2-acetate (7) gave the corresponding pyrrolo[1,2-a]pyridine 8, while the reaction of 6b containing an ester moiety afforded the acyclic adduct 9. The reaction of 6a with 2-aminopyrimidine (10) gave the novel unexpected pyrimido[2,1-d]1,2,3,5-tetrazine 11. Acyclic adducts 16 and 17 were obtained from the reaction of 6b with 2-cyanomethylbenzimidazole (14) and 2-aminobenzimidazole (15), respectively.     

Effects of anionic additives on the rheological behavior of aqueous calcium montmorillonite suspensions

Three different experimental measurements, namely, rheology, particle sizing, and x-ray diffraction (XRD), were used to study the effect of anionic additives on the properties of bentonite suspensions. The three additives were sodium carboxymethylcellulose, xanthan gum, and sodium dodecyl sulfate. Flow curves were obtained from shear stress–shear rate measurements, and the viscoelastic properties were determined from oscillatory and transient measurements. Mineralogical data were evaluated by XRD and the particle size analysis performed by light scattering technique. The presence of the surfactant modifies the face-to-face interactions and yields changes of the mixtures rheological behavior at low deformation rates. Polymers act by coating each clay particle and prevent their agglomeration. Therefore, the additives are responsible for the mechanisms of destructuration and structure reorganization as well as the mixtures viscous and viscoelastic behavior.     

Scaling Immiscible Displacements in Porous Media with Horizontal Wells

Despite the increase in horizontal well applications, scaling fluid displacement in porous medium with horizontal wells is yet to be fully investigated. Determining the conditions under which horizontal wells may lead to better oil recovery is of great importance to the petroleum industry. In this paper, a numerical sensitivity study was performed for several well configurations. The study is performed in order to reveal the functional relationships between the scaling groups governing the displacement and the performance of immiscible displacements in homogeneous reservoirs produced by horizontal wells. These relationships can be used as a quick prediction tool for the fractional oil recovery for any combinations of the scaling groups, thus eliminating the need for the expensive fine-mesh simulations. In addition, they provide the condition under which a horizontal well configuration may yield better recovery performance. These results have potential applications in modeling immiscible displacements and in the scaling of laboratory displacements to field conditions.     

Study of various parameters influencing the fixation of metallic ions Cu2+, Zn2+, and Ni2+ at the catalytic Amberlyst-15 resin in the presence of alcohols

The ionic exchange behavior of Zn²⁺, Ni²⁺, and Cu²⁺ metallic ions on Amberlyst-15 commercial resin was studied as a function of resin solution contact time, initial concentration of metallic ions, nature of the solvent, and the amount of resin. The metallic ions were studied in ternary mixtures using both column and batch experiments. In addition, water, methanol, ethanol, and propan-2-ol were used as solvents for dissolving metallic ions. It was found that the resin behavior depends on the solvent nature and the metallic ion concentration. The analysis of solutions by atomic absorption spectrometry revealed that the affinity of the resin for the studied metallic ions followed the sequence Cu²⁺ > Ni²⁺ > Zn²⁺ in the case of an aqueous medium. Furthermore, uptake increased with increasing amount of resin. A better uptake was observed in the case of the 75:25 % water/methanol compositions when the column technique was used. For the batch technique, we noted a better uptake using 100 % water. The uptake rate decreased with an increase in the number of carbons for the 50 % water–50 % alcohol solvents. The acid–base properties of Amberlyst-15 commercial resin were studied by 2-propanol decomposition test. Propene and acetone are the main expected products and it is believed that they are formed through dehydration or dehydrogenation reaction on acid and base sites, respectively.     

Design,synthesis, and molecular docking studies of new [1,2,4]triazolo[4,3-a]quinoxaline derivatives as potential A2B receptor antagonists

Molecular Diversity - Many shreds of evidence have recently correlated A2B receptor antagonism with anticancer activity. Hence, the search for an efficient A2B antagonist may help in the...     

Synthesis,In Vitro Anti-Microbial Analysis and Molecular Docking Study of Aliphatic Hydrazide-Based Benzene Sulphonamide Derivatives as Potent Inhibitors of α-Glucosidase and Urease

A unique series of sulphonamide derivatives was attempted to be synthesized in this study using a new and effective method. All of the synthesized compounds were verified using several spectroscopic methods, including FTIR, ¹H-NMR, ¹³C-NMR, and HREI-MS, and their binding interactions were studied using molecular docking. The enzymes urease and α-glucosidase were evaluated against each derivative (1–15). When compared to their respective standard drug such as acarbose and thiourea, almost all compounds were shown to have excellent activity. Among the screened series, analogs 5 (IC₅₀ = 3.20 ± 0.40 and 2.10 ± 0.10 µM) and 6 (IC₅₀ = 2.50 ± 0.40 and 5.30 ± 0.20 µM), emerged as potent molecules when compared to the standard drugs acarbose (IC₅₀ = 8.24 ± 0.08 µM) and urease (IC₅₀ = 7.80 ± 0.30). Moreover, an anti-microbial study also demonstrated that analogs 5 and 6 were found with minimum inhibitory concentrations (MICs) in the presence of standard drugs streptomycin and terinafine.     

Synthesis of Potential Antiviral Agents for SARS-CoV-2 Using Molecular Hybridization Approach

We synthesized a set of small molecules using a molecular hybridization approach with good yields. The antiviral properties of the synthesized conjugates against the SAR-CoV-2 virus were investigated and their cytotoxicity was also determined. Among all the synthesized conjugates, compound 9f showed potential against SARS-CoV-2 and low cytotoxicity. The conjugates’ selectivity indexes (SIs) were determined to correlate the antiviral properties and cytotoxicity. The observed biological data were further validated using computational studies.     

A compliant mechanism with variable stiffness achieved by rotary actuators and shape-memory alloy

The aim of this article is to study the consequences of the active stiffening of a compliant mechanism on the workspace created by the deformation of its structure. In connection with recent soft robotics research integrating shape-memory alloys (SMAs), the variation in stiffness over time is here obtained by the thermal activation of a nickel–titanium SMA spring. The workspace is created by the deformation (in the strength of materials sense) controlled by two rotary actuators acting on a structure comprising two angled flexible beams. In addition to a natural variation in the elasticity modulus of the SMA component during its thermal activation, its shape reconfiguration adds a structural deformation modifying the workspace. The existence of a common area between the workspaces of the mechanism corresponding to the non-activated and activated modes of the SMA is preserved. Several compliance maps are determined from measurements using a laser tracker targeting a given position of the loaded structure. The impact of SMA pre-stretch on stiffness variability is compared to that of a change in Young’s modulus. Variations in the stiffness distributions between the two modes reveal interesting properties (stiffness sign inversion, anisotropy) for the future optimal design of compliant mechanisms with high versatility, associating the spatial positions of the effector with variable stiffness values.