Silica Chromate as a Novel Oxidizing Agent for the Oxidation of 1,4‐Dihydropyridines

Silica chromate easily converts 1,4‐dihydropyridines to their corresponding pyridines in the presence of NaHSO₄ · H₂O and wet SiO₂ in dichloromethane at room temperature in good to excellent yields.     

Facile and Efficient Method for the Synthesis of 14-Substituted-14-H-dibenzo[a,j]xanthenes Catalyzed by Ruthenium Chloride Hydrate as a Homogeneous Catalyst

Synthesis of dibenzoxanthenes through condensation of β-naphthol with various aromatic and aliphatic aldehydes in ethanol as an ecofriendly solvent using Ru^III as catalyst is reported.

Characterization of Chitosan/Alginate Self-Assembled Nanoparticles as a Protein Carrier

The aim of this study was to evaluate the effect of the polymeric ratios on the characteristics of chitosan/alginate (ch/alg) self-assembled nanoparticles and their potential as protein delivery vehicle. The nanoparticles were prepared using proper mixing of polymers in presence or absence of bovine serum albumin (BSA) as a protein model. Three formulations of nanoparticles comprising ch/alg ratios of 2:1, 1:1, and 1:2 were prepared. Size, shape and zeta potential of the formulations were studied by scanning electron microscopy (SEM) and nanosizer instruments. FTIR, and differential scanning calorimetery (DSC) studies were performed to investigate polymer-polymer or polymer-protein interactions. Release profiles and entrapment efficiencies of the nanoparticles were determined by calorimetric technique using appropriate techniques. Entrapment efficiency was 70% for ch/alg ratio of 1:1, 65% for 1:2, and 60% for 2:1. The z-average size of the nanoparticles were 403, 205, and 318 nm for ch/alg ratios of 2:1, 1:1, and 1:2, respectively. Average zeta potentials were ?47, +15, ?25 mV for 2:1, 1:1, and 1:2 as well. Considering the favorable features required for protein delivery systems, ch/alg (1:1) due to its smallest size, highest loading, and most homogenous shape was regarded as the best ratio.     

Pertraction of methylene blue using a mixture of D2EHPA/M2EHPA and sesame oil as a liquid membrane

An experimental study on the pertraction of methylene blue (MB) through a supported liquid membrane (SLM) using a mixture of mono-(2-etylhexyl) ester of phosphoric acid (M2EHPA) and bis-(2-etylhexyl) ester of phosphoric acid (D2EHPA) and sesame oil as the liquid membrane (LM) was performed. Parameters affecting the pertraction of MB such as initial MB concentration, carrier concentration, feed phase pH, and stripping phase concentration were analyzed. Optimal experimental conditions for MB pertraction (permeability of 5.63 × 10^?6) were obtained after a 7 h separation with the MB concentration in the feed phase of 80 mg L^?1, D2EHPA/M2EHPA concentration in membrane phase of 40 vol. %, feed pH of 6, and acetic acid concentration in the stripping phase of 0.4 mol L^?1. Kinetics of transport and stability of the SLM system were also studied and the mass transfer coefficient for this system was evaluated. Scanning electron microscopy (SEM) was used to morphologically characterize the membrane surface.     

Experimental versus predicted affinities for ligand binding to estrogen receptor: iterative selection and rescoring of docked poses systematically improves the correlation

The computational determination of binding modes for a ligand into a protein receptor is much more successful than the prediction of relative binding affinities (RBAs) for a set of ligands. Here we consider the binding of a set of 26 synthetic A-CD ligands into the estrogen receptor ERα. We show that the MOE default scoring function (London dG) used to rank the docked poses leads to a negligible correlation with experimental RBAs. However, switching to an energy-based scoring function, using a multiple linear regression to fit experimental RBAs, selecting top-ranked poses and then iteratively repeating this process leads to exponential convergence in 4–7 iterations and a very strong correlation. The method is robust, as shown by various validation tests. This approach may be of general use in improving the quality of predicted binding affinities.     

Polyol-modified layered double hydroxides with attenuated basicity for a truly reversible capture of CO2

Dendrimers bearing hydroxyl groups supported by layered double hydroxides (CO₃–LDH) with Mg/Al ratio ranging from 1:1 to 5:1 showed improved properties for the reversible capture of carbon dioxide (CO₂). The adsorption capacity of the starting LDH was due to the intrinsic base-like behavior, and was found to depend on the Mg/Al ratio. When contacted with polyol dendrimers in aqueous media, no intercalation took place. This was explained in terms of low exfoliation grade of LDH and hydrophobic character of the dendrimer molecules. The latter rather adsorb on the external surface of the LDH stacks for low dendrimer loadings, or aggregate into organic clusters for higher contents. Analyses through thermal programmed desorption of CO₂ revealed that dendrimer incorporation advantageously attenuates the basicity strength of the starting LDH support, by lowering the desorption temperature. The OH groups of the organic moiety were found to display an amphoteric character, and act as the main adsorption sites. The weak interactions with CO₂ facilitate easier release of the major part of adsorbed CO₂ at temperature not exceeding 80–100 °C. On polyol organo-LDHs, the reversible CO₂ retention was discussed herein in terms of acid–base interactions. This concept allows envisaging the capture of diverse pollutants and other greenhouse gases by modifying the chemical groups on the dendritic moiety.     

Palladium-catalyzed oxidative C–H bond coupling of indoles and benzaldehydes: a new approach to the synthesis of 3-benzoylindoles

A palladium-catalyzed dehydrogenative acylation of indoles using easily accessible aldehydes as the acyl source is described. This reaction provides a new approach for the synthesis of 3-acylindoles.     

A simple and clean method for multicomponent synthesis of spiro [indole-tetrahydropyrano(2,3-d)pyrimidine] derivatives using SBA-Pr-SO3H as catalyst under solvent-free conditions

Sulfonic acid functionalized SBA-15 (SBA-Pr-SO₃H) as a new nanoporous solid acid catalyst was applied in the green one-pot synthesis of spiro[indole-tetrahydropyrano(2,3-d)pyrimidine] derivatives via three-component reaction of isatins, malononitrile or cyanoacetic esters and barbituric acids under solvent-free conditions. SBA-Pr-SO₃H was proved to be an efficient heterogeneous nanoporous solid acid catalyst with a pore size of 6 nm, which could be easily handled and removed from the reaction mixture by simple filtration and can be recovered and reused several times without any loss of activity. The advantages of this methodology are high product yields, being environmentally benign, short reaction times, and easy handling.     

Effects of mussel-inspired co-deposition of 2-hydroxymethyl methacrylate and poly (2-methoxyethyl acrylate) on the hydrophilicity and binding tendency of common hemodialysis membranes: Molecular dynamics simulations and molecular docking studies

Despite advances in the field, hemoincompatibility remains a critical issue for hemodialysis (HD) as interactions between various human blood constituents and the polymeric structure of HD membranes results in complications such as activation of immune system cascades. Adding hydrophilic polymer structures to the membranes is one modification approach that can decrease the extent of protein adsorption. This study conducted molecular dynamics (MD) simulations to understand the interactions between three human serum proteins (fibrinogen [FB], human serum albumin, and transferrin) and common HD membranes in untreated and modified forms. Poly(aryl ether sulfone) (PAES) and cellulose triacetate were used as the common dialyzer polymers, and membrane modifications were performed with 2-hydroxymethyl methacrylate (HEMA) and poly (2-methoxyethyl acrylate) (PMEA), using polydopamine-assisted co-deposition. The MD simulations were used as the framework for binding energy simulations, and molecular docking simulations were also performed to conduct molecular-level investigations between the two modifying polymers (HEMA and PMEA) and FB. Each of the three proteins acted differently with the membranes due to their unique nature and surface chemistry. The simulations show PMEA binds less intensively to FB with a higher number of hydrogen bonds, which reflects PMEA's superior performance compared to HEMA. The simulations suggest PAES membranes could be used in modified forms for blood-contact applications as they reflect the lowest binding energy to blood proteins.