Development of the ANN–KIM composed model to predict the nanofluid energetic thermal conductivity via various types of nano-powders dispersed in oil

Journal of Thermal Analysis and Calorimetry - Artificial neural network/kriging interpolation method optimization method which is evaluated concerned the hybrid nanofluid composed of iron oxide...     

Novel tacrine-based acetylcholinesterase inhibitors as potential agents for the treatment of Alzheimer’s disease: Quinolotacrine hybrids

A new series of quinolotacrine hybrids including cyclopenta- and cyclohexa-quinolotacrine derivatives were designed, synthesized, and assessed as anti-cholinesterase (ChE) agents. The designed derivatives indicated higher inhibitory effect on the acetylcholinesterase (AChE) with IC₅₀ values of 0.285–100 µM compared to butyrylcholinesterase (BChE) with IC₅₀ values of?>?100 µM. Of these compounds, cyclohexa-quinolotacrine hybrids displayed a little better anti-AChE activity than cyclopenta-quinolotacrine hybrids. Compound 8-amino-7-(3-hydroxyphenyl)-5,7,9,10,11,12-hexahydro-6H-pyrano[2,3-b:5,6-c'] diquinolin-6-one (6m) including 3-hydroxyphenyl and cyclohexane ring moieties exhibited the best AChE inhibitory activity with IC₅₀ value of 0.285 µM. The kinetic and molecular docking studies indicated that compound 6m occupied both the catalytic anionic site (CAS) and peripheral anionic site (PAS) of AChE as a mixed inhibitor. Using neuroprotective assay against H₂O₂-induced cell death in PC12 cells, the compound 6h illustrated significant protection among the assessed compounds. In silico ADME studies estimated good drug-likeness for the designed compounds. As a result, these quinolotacrine hybrids can be very encouraging AChE inhibitors to treat Alzheimer’s disease.

Graphic abstract

A novel series of quinolotacrine hybrids were designed, synthesized, and evaluated against AChE and BChE enzymes as potential agents for the treatment of AD. The hybrids showed good to significant inhibitory activity against AChE (0.285–100 μM) compared to butyrylcholinesterase (BChE) with IC₅₀ values of?>?100 μM. Among them, compound 8-amino-7-(3-hydroxyphenyl)-5,7,9,10,11,12-hexahydro-6H-pyrano[2,3-b:5,6-c′] diquinolin-6-one (6 m) bearing 3-hydroxyphenyl moiety and cyclohexane ring exhibited the highest anti-AChE activity with IC₅₀ value of 0.285 μM. The kinetic and molecular docking studies illustrated that compound 6 m is a mixed inhibitor and binds to both the catalytic anionic site (CAS) and peripheral anionic site (PAS) of AChE.

     

Synthesis and Spectroscopic Study of Some New Phosphoramidates,Crystal Structures of N‐Benzoyl‐N′,N″‐bis(azetidinyl)phosphoric Triamide and N‐Benzoyl‐N′,N″‐bis(hexamethylenyl)phosphoric Triamide

Some new N‐carbonyl, phosphoramidates with formula C₆H₅C(O)N(H)P(O)R₂ (R = NC₃H₆ ( 1 ), NC₆H₁₂ ( 2 ), NHCH₂CH=CH₂ ( 3 ), N(C₃H₇)₂ ( 4 )) and CCl₃C(O)N(H)P(O)R′₂ (R′ = NC₃H₆ ( 5 ), NHCH₂CH=CH₂ ( 6 )) were synthesized and characterized by ¹H, ¹³C, ³¹P NMR and IR spectroscopy and elemental analysis. The structures were determined for compounds 1 and 2 . Compound 1 exists as two crystallographically independent molecules in crystal lattice. Both compounds 1 and 2 produced dimeric aggregates via intermolecular ‐P=O…H‐N‐ hydrogen bonds, which in compound 2 is a centrosymmetric dimer. In compounds with four‐membered ring amine groups, ³J(P,C)>²J(P,C), in agreement with our previous studies about five‐membered ring amine groups. Also, ³J(P,C) values in compounds 1 and 5 are greater than in compounds with five‐, six‐ and seven‐membered ring amine groups.     

Determination of phosphonoformic acid in human plasma and urine by high-performance liquid chromatography with electrochemical detection

Trisodium phosphonoformate (foscarnet) is used in the treatment of cytomegalovirus infections in immunocompromised patients, such as bone marrow and renal transplant recipients, as well as patients with the acquired immune deficiency syndrome. A simple high-performance liquid chromatographic assay is described using an electrochemical detector. The method is accurate, precise and reproducible. Hydrochlorothiazide is used as the internal standard. This assay allows measurement of foscarnet in biological fluids at concentrations as low as 33 microM. This method is being used for the analysis of samples in clinical trials and is important in the evaluation of the pharmacokinetic disposition of the drug.     

Selective crystallization of calcium salts by poly(acrylate)-grafted chitosan

The biopolymer chitosan was chemically modified by grafting polyacrylamide or polyacrylic acid in a homogeneous aqueous phase using potassium persulfate (KPS) as redox initiator system in the presence of N,N-methylene-bis-acrylamide as a crosslinking agent. The influence of the grafted chitosan on calcium salts crystallization in vitro was studied using the sitting-drop method. By using polyacrylamide grafted chitosan as substrate, rosette-like CaSO4 crystals were observed. This was originated by the presence of sulfate coming from the initiator KPS. By comparing crystallization on pure chitosan and on grafted chitosan, a dramatic influence of the grafted polymer on the crystalline habit of both salts was observed. Substrates prepared by combining sulfate with chitosan or sulfate with polyacrylamide did not produce similar CaSO4 morphologies. Moreover, small spheres or donut-shaped CaCO3 crystals on polyacrylic acid grafted chitosan were generated. The particular morphology of CaCO3 crystals depends also on other synthetic parameters such as the molecular weight of the chitosan sample and the KPS concentration.     

Effect of synthesis method and buffer composition on the LCST of a smart copolymer of N‐isopropylacrylamide and acrylic acid

Responsive polymers have been the focus of many studies during the past decade because of their ability to change according to environmental stimuli. In this paper, we report on the development of a method to synthesize a pH/temperature‐sensitive linear copolymer, poly(N‐isopropylacrylamide‐ co‐acrylic acid)(poly(NIPAAm‐co‐AAc)), with a molecular weight of about 10⁶–10⁵ Da in water using azobisisobutyronitrile (AIBN) as the initiator. The effects of the following on the lower critical solution temperature (LCST) of the copolymer and homopolymer of NIPAAm were investigated: the type of buffer salts and pH changes of test solutions, molecular weight and concentration of homopolymer/copolymer solutions, and AAc monomer molar feed ratio (mol%). The effects of different synthesis methods on the molecular weight and on the AAc content were also evaluated. The mechanism of action in environments with different pH values is discussed. Copyright © 2007 John Wiley & Sons, Ltd.     

Syntheses of 1-substituted 1,2,4-triazoles,imidazoles and benzimidazoles

Substituted 2-phenethyl-1,2,4-triazoles, 1-phenethylimidazoles 3 and 1-phenethylbenzimidazoles 5 were synthesized from the reaction of compound 8 with tri-n-butyltin hydride in good yield. The reaction of substituted-2-phenethyl halide with 1H-1,2,4-triazoles, imidazoles and benzimidazoles gave a low yield. The yield was increased by the use of substituted-2-phenethyl p-toluensulfonate.     

Synthesis and Evaluation of Biocompatible pH‐Sensitive Hydrogels as Colon‐Specific Drug Delivery Systems

Because of the growing importance of pH‐sensitive hydrogels as drug delivery systems, biocompatible copolymeric hydrogels based N‐vinyl‐2‐pyrrolidinone (NVP) and methacrylic acid (MAA) were designed and synthesized. These hydrogels were investigated for oral drug delivery. Radical copolymerizations of N‐vinyl‐2‐pyrrolidinone (NVP) and methacrylic acid (MAA) with the various ratios of cross‐linking agent were carried out at 70 °C. Azabisisobutyronitrile (AIBN) was the free‐radical initiator employed and Cubane‐1,4‐dicarboxylic acid (CDA) linked to two 2‐hydroxyethyl methacrylate (HEMA) group was the crosslinking agent (CA) used for hydrogel preparations. The hydrogels were characterized by differential scanning calorimetry and FT‐IR. Equilibrium swelling studies were carried out in enzyme‐free simulated gastric and intestinal fluids (SGF and SIF, respectively). A model drug, olsalazine [3,3′‐azobis (6‐hydroxy benzoic acid)] (OSZ) as an azo derivative of 5‐aminosalicylic acid (5‐ASA), was entrapped in these gels and the in‐vitro release profiles were established separately in both enzyme‐free SGF and SIF. The drug‐release profiles indicated that the amount of drug released depended on the degree of swelling. The swelling was modulated by the amount of crosslinking of the polymer bonded drug (PBDs) prepared. Based on the great difference in hydrolysis rates at pH 1 and 7.4, these pH‐sensitive hydrogels appear to be good candidates for colon‐specific drug delivery.     

Al Electrode Modified by Au Atoms as a Novel Electrode for Electrocatalytic Oxidation of Thiosulfate

An aluminum electrode modified with gold atoms was introduced as a novel electrode. Gold atoms were deposited both chemically and electrochemically onto the aluminum electrode to make an aluminum/gold (Al/Au) modified electrode (ME). The experimental results showed that the Al/Au modified electrode prepared by chemical deposition, exhibits much more current than the electrochemical deposition method. The electrochemical behavior of the Al/Au modified electrode was studied by cyclic voltammometry. This modified electrode showed two pairs of peaks, a₁c₁ and a₂c₂, with surface‐confined characteristics in a 0.5 M phosphate buffer. The dependence of E_pa of the second peak (a₂c₂) on pH shows a Nernestian behavior with a slope of 55 mV per unit pH. The effect of different supporting electrolytes, solution's pH and different scan rates on electrochemical behavior of Al/Au modified electrode was studied. Au deposited electrochemically on a Pt electrode (Pt/Au) was also used as another modified electrode. A comparative study of electrochemical behavior of bare Al, Pt/Au and Al/Au modified electrodes showed that both Pt/Au and Al/Au electrodes have the ability of electrocatalytic oxidation of S₂O₃^2?, but the electrocatalytic oxidation on the latter was better than the former. The kinetics of the catalytic reaction was investigated by using cyclic voltammetry and chronoamperometry techniques. The average value of the rate constant for the catalytic reaction and the diffusion coefficient were evaluated by means of chronoamperometry technique.