Characterization and optimization of a positively charged poly (ethylene glycol)diacrylate hydrogel as an actuating muscle tissue engineering scaffold

Hydrogels have been used for many applications in tissue engineering and regenerative medicine due to their versatile material properties and similarities to the native extracellular matrix. Poly (ethylene glycol) diacrylate (PEGDA) is an ionic electroactive polymer (EAP), a material that responds to an electric field with a change in size or shape while in an ionic solution, that may be used in the development of hydrogels. In this study, we have investigated a positively charged EAP that can bend without the need of external ions. PEGDA was modified with the positively charged molecule 2‐(methacryloyloxy)ethyl‐trimethylammonium chloride (MAETAC) to provide its own positive ions. This hydrogel was then characterized and optimized for bending and cellular biocompatibility with C2C12 mouse myoblast cells. Studies show that the polymer responds to an electric field and supports C2C12 viability.     

Novel one-pot, three-component synthesis of new 2-alkyl-5-aryl-(1H)-pyrrole-4-ol in water

New 2-alkyl-5-aryl-(1H)-pyrrole-4-ol derivatives were synthesized via three-component reaction of beta-dicarbonyl compounds with arylglyoxals in the presence of ammonium acetate in water at room temperature.     

A new liquid-phase microextraction method based on solidification of floating organic drop

In the present study, a new and versatile liquid-phase microextraction method is described. This method requires very simple and cheap apparatus and also a small amount of organic solvent. Eight microliters of 1-undecanol was delivered to the surface of solution containing analytes and solution was stirred for a desired time. Then sample vial was cooled by inserting it into an ice bath for 5 min. The solidified 1-undecanol was transferred into a suitable vial and immediately melted; then, 2 μL of it was injected into a gas chromatograph for analysis.Some polycyclic aromatic hydrocarbons (PAHs) were used as model compounds for developing and evaluating of the method performance. Analysis was carried out by gas chromatography/flame ionization detection (GC/FID).Several factors influencing the microextraction efficiency, such as the nature and volume of organic solvent, the temperature and volume of sample solution, stirring rate and extraction time were investigated and optimized. The applicability of the technique was evaluated by determination of trace amounts of PAHs in environmental samples. Under the optimized conditions, the detection limits (LOD) of the method were in the range of 0.07-1.67 μg L⁻¹ and relative standard deviations (R.S.D.) for 10 μg L⁻¹ PAHs were <7%. A good linearity (r² > 0.995) in a calibration range of 0.25-300.00 μg L⁻¹ was obtained. After 30 min extraction duration, enrichment factors were in the range of 594-1940. Finally, the proposed method was applied to the determination of trace amounts of PAHs in several real water samples, and satisfactory results were resulted. Since very simple devices were used, this new technique is affordable, efficient, and convenient for extraction and determination of low concentrations of PAHs in water samples.     

Modification and optimization of the united-residue (UNRES) potential energy function for canonical simulations. I. Temperature dependence of the effective energy function and tests of the optimization method with single training proteins

We report the modification and parametrization of the united-residue (UNRES) force field for energy-based protein structure prediction and protein folding simulations. We tested the approach on three training proteins separately: 1E0L (beta), 1GAB (alpha), and 1E0G (alpha + beta). Heretofore, the UNRES force field had been designed and parametrized to locate native-like structures of proteins as global minima of their effective potential energy surfaces, which largely neglected the conformational entropy because decoys composed of only lowest-energy conformations were used to optimize the force field. Recently, we developed a mesoscopic dynamics procedure for UNRES and applied it with success to simulate protein folding pathways. However, the force field turned out to be largely biased toward -helical structures in canonical simulations because the conformational entropy had been neglected in the parametrization. We applied the hierarchical optimization method, developed in our earlier work, to optimize the force field; in this method, the conformational space of a training protein is divided into levels, each corresponding to a certain degree of native-likeness. The levels are ordered according to increasing native-likeness; level 0 corresponds to structures with no native-like elements, and the highest level corresponds to the fully native-like structures. The aim of optimization is to achieve the order of the free energies of levels, decreasing as their native-likeness increases. The procedure is iterative, and decoys of the training protein(s) generated with the energy function parameters of the preceding iteration are used to optimize the force field in a current iteration. We applied the multiplexing replica-exchange molecular dynamics (MREMD) method, recently implemented in UNRES, to generate decoys; with this modification, conformational entropy is taken into account. Moreover, we optimized the free-energy gaps between levels at temperatures corresponding to a predominance of folded or unfolded structures, as well as to structures at the putative folding-transition temperature, changing the sign of the gaps at the transition temperature. This enabled us to obtain force fields characterized by a single peak in the heat capacity at the transition temperature. Furthermore, we introduced temperature dependence to the UNRES force field; this is consistent with the fact that it is a free-energy and not a potential energy function. beta     

Task-specific nitrite and azide ionic liquids for the efficient one-pot synthesis of 1,2,3-triazoles from the aniline derivatives

An efficient, fast, and straightforward procedure for the synthesis of aromatic azides and in situ preparation of 1,2,3-triazoles under mild conditions is described. Aniline derivatives have been treated with task-specific [bmim]NO(2) and [bmim]N(3) ionic liquids to give the related phenyl azides which, on further in situ reaction with 1,3-diketones and ethylacetoacetate, afforded 1,2,3-triazoles in very good to excellent yields in very short reaction time. This procedure, which generates azides followed by azide in situ cycloaddition with diketone, has become an attractive option. In this protocol, [bmim]N(3) is used instead of the highly toxic reagent NaN(3).     

On the Fractional Hamilton and Lagrange Mechanics

The fractional generalization of Hamiltonian mechanics is constructed by using the Lagrangian involving fractional derivatives. In this paper the equation of projectile motion with air friction using fractional Hamiltonian mechanics and equation for current loop involving electric source, a resistor, an inductor and a capacitor has been obtained. Furthermore, fractional optics has been introduced.     

Negative optical inertia in optomechanical systems

A method of improving the sensitivity of laser-interferometer-based gravitational-wave detectors by using double (two-frequency) optical pumping is proposed. Proper selection of the optical parameters of each pump wave allows implementation of the so-called “negative inertia,” that is, an increase in the detector’s mechanical response to an external force in a wide frequency range, which is equivalent to the reduction of the inertial masses of the test bodies of the detector, while their gravitational masses remain the same. This effect allows overcoming the standard quantum limit of sensitivity for a free mass in a wide frequency range due to an enhanced signal response, rather than due to the mutual compensation of quantum noises, as in other methods. The advantage of the proposed method is its much higher immunity to the noise caused by optical losses as compared to schemes based on mutual compensation of quantum noises. A practical scheme of the gravitational-wave detector based on the “negative-inertia” effect is explored, and a set of optimal optical parameters facilitating achieving a maximum signal-to-noise ratio for the main types of astrophysical gravitational-wave sources is obtained.     

ZrOCl2·8H2O on montmorillonite K10 accelerated conjugate addition of amines to α,β-unsaturated alkenes under solvent-free conditions

At room temperature, ZrOCl₂·8H₂O on montmorillonite K10 efficiently catalyzes conjugate addition of amines to a variety of conjugated alkenes such as α,β-unsaturated carbonyl compounds, carboxylic esters, nitriles and amides under solvent-free conditions. The catalyst can be recycled for subsequent reactions without any appreciable loss of efficiency.     

Characterization of gelatin/cellulose acetate nanofibrous scaffolds: Prediction and optimization by response surface methodology and artificial neural networks

Gelatin/cellulose acetate electrospun nanofibers are a good candidates for simulation of extracellular matrix (ECM). Electrospinning of the blend is controlled by many parameters such as applied voltage, gap distance, solvent composition, polymer composition and solution concentration. The individual and interactive effects of these parameters on pH, electrical conductivity (EC) and viscosity of solutions, and diameter and quality of fibers were investigated. Response surface methodology (RSM) and artificial neural networks (ANNs) were considered to model and optimize the responses. EC, pH and viscosity of solutions were dependent on the solution parameters. The solvent composition and solution concentration had an influence on the fiber diameter and quality. The optimum conditions for fabricating qualified nanofibers with minimum diameter were 16.9 kV, 15.3 cm, 77.5 wt % of gelatin, 88.9 vol % of acetic acid and solution concentration of 20 wt %/vol %. Uniform beadless nanofibers with a diameter of 284 nm were attained at this optimum condition.