A mesoporous silica/fluorinated alcohol adduct: an efficient metal-free,three-component synthesis of indazolophthalazinetrione heterocycles using a reusable nanoporous/trifluoroethanol adduct (SBA-15/TFE)

The channels of mesoporous (SBA-15) represent a straightforward reactor for the rapid synthesis of indazolophthalazinetrione skeletons via three-component coupling reactions in 2,2,2-trifluoroethanol. The solid SBA-15 and TFE could be recovered and reused. The present method carries the advantage of being performed under neutral conditions and requires no activation or modification of the substrates.     

Synthesis of Arylidene – Isoquinolinones bearing Combretastatin Skeleton by Cyclocarbopalladation/cross coupling Tandem Heck-Suzuki Miaura Reactions using nano catalyst Pd@Py-IL-SPION

Cyclocarbopalladation/cross-coupling cascade intramolecular Heck–Suzuki–Miyaura reactions is applied for the first time by palladium immobilized on pyridine-imidazolium ionic liquid supported magnetic iron oxide nanoparticle catalyst (denoted Pd@Py-IL-SPION) for the last step to synthesize trisubstituted arylidene–isoquinolinones derivatives having Combretastatin skeleton. The reaction is performed via propargylamide intermediates prepared by Ugi 4-CR reactions, which undergoes intramolecular Heck–Suzuki–Miyaura domino reaction to produce the desired trisubstituted arylidene-isoquinolinones. The method shows full regio- and stereoselectivity derives from the particular Pd-catalyzed syn-insertion of triple bond.     

Structural,theoretical and multinuclear NMR study of mercury(II) complexes of phosphorus ylides: Mono and binuclear complexes

Reaction of phosphorus ylide Ph₃PCHC(O)C₆H₄Cl (Y₁) with HgX₂ (X = Cl, Br and I) and ylide (p-tolyl)₃PCHC(O)CH₃ (Y₂) with HgI₂ in equimolar ratios using methanol as solvent leads to binuclear products. The bridge-splitting reaction of binuclear complex [(Y₁) · HgCl₂]₂ by DMSO yields a mononuclear complex containing DMSO as ligand. O-coordination of DMSO is revealed by single crystal X-ray analysis in mononuclear complex of [(Y₁) · HgCl₂ · DMSO]. C-coordination of ylides is confirmed by X-ray structure of binuclear complex [(Y₂) · HgI₂]₂. Characterization of the obtained compounds was also performed by elemental analysis, IR, ¹H, ³¹P, and ¹³C NMR. Theoretical studies on mercury(II) complexes of Y₁ show that formation of mononuclear complexes in DMSO solution in which DMSO acts as a ligand, energetically is more favorable than that of binuclear complexes.     

Targeted Delivery of Anticancer Drug Loaded Charged PLGA Polymeric Nanoparticles Using Electrostatic Field

Pure positive electrostatic charges (PPECs) show suppressive effect on the proliferation and metabolism of invasive cancer cells without affecting normal tissues. PPECs are used for the delivery of drug-loaded polymeric nanoparticles (DLNs) capped with negatively charged poly(lactide-co-glycolide) (PLGA) and Poly(vinyl-alcohol) PVA into the tumor site of mouse models. The charged patch is installed on top of the skin in the mouse models' tumor region, and the controlled selective release of the drug is assayed by biochemical, radiological, and histological experiments on both tumorized models and normal rats' livers. It is found that DLNs synthesized by PLGA show great attraction to PPECs due to their stable negative charges, which would not degrade immediately in blood. The burst and drug release after less than 48h of this synthesized DLNs are 10% and 50%, respectively. These compounds can deliver the loaded-drug into the tumor site with the assistance of PPECs, and the targeted-retarded release will take place. Hence, local therapy can be achieved with much lower drug concentration (conventional chemotherapy [2 mg kg⁻¹] versus DLNs-based chemotherapy [0.75 mg kg⁻¹]) with negligible side effects in non-targeted organs. PPECs have many potential clinical applications for advanced-targeted chemotherapy with the lowest discernible side effects.     

Observational Constraints with Recent Data on the DGP Modified Gravity

We study one of the simplest covariant modified-gravity models based on the Dvali-Gabadadze-Porrati (DGP) brane cosmology, a self-accelerating universe. In this model gravitational leakage into extra dimensions is responsible of late-time acceleration. We mainly focus on the effects of the model parameters on the geometry and the age of universe. Also we investigate the evolution of matter density perturbations in the modified gravity model, and obtain an analytical expression for the growth index, f. We show that increasing leads to less growth of the density contrast δ, and also decreases the growth index. We give a fitting formula for the growth index at the present time and indicate that dominant term in this expression verifies the well-known approximation relation f≃Ω _m ^γ . As the observational test, the new Supernova Type Ia (SNIa) Gold sample and Supernova Legacy Survey (SNLS) data, size of baryonic acoustic peak from Sloan Digital Sky Survey (SDSS), the position of the acoustic peak from the CMB observations and the Cluster Baryon Gas Mass Fraction (gas) are used to constrain the parameters of the DGP model. We also combine previous results with large scale structure formation (LSS) from the 2dFGRS survey. Finally to check the consistency of the DGP model, we compare the age of old cosmological objects with age of universe in this model.     

Bidirectional Quantum Teleportation of a Class of <Emphasis Type="Italic">n</Emphasis>-Qubit States by Using (2<Emphasis Type="Italic">n</Emphasis> + <Emphasis Type="Bold">2</Emphasis>)-Qubit Entangled States as Quantum Channel

A new protocol of bidirectional quantum teleportation (BQT) is proposed in which the users can transmit a class of n-qubit state to each other simultaneously, by using (2n + 2)-qubit entangled states as quantum channel. The state of the art approaches can only transmit two-qubit states in each round. This scheme is based on control-not operation, single-qubit measurements and appropriate single-qubit unitary operations. It is shown that the protocol is secure in preparation phase.     

Design and synthesis of phenoxymethybenzoimidazole incorporating different aryl thiazole-triazole acetamide derivatives as α-glycosidase inhibitors

Molecular Diversity - A novel series of phenoxymethybenzoimidazole derivatives (9a-n) were rationally designed, synthesized, and evaluated for their α-glycosidase inhibitory activity. All...     

Electromagnetic fields near plasmonic wedges

The behavior of electromagnetic fields near the edge of a plasmonic wedge is investigated. We study the scattering properties, field divergence, and field enhancement near an Au wedge bounded by SiO2 upon illumination by TM-polarized light using hypersingular integral equations, as a function of wavelength, wedge angle, and angle of incidence. The transverse scattered field components show a convergent behavior at wavelengths approaching the surface plasmon energy asymptote (on the corresponding flat Au-SiO2 interface), and become strongly divergent at longer wavelengths. The computed divergence is compared with Meixner's theory and is found to be in good agreement over a restricted range of parameters.     

The influence of hydrophobic amino acid side groups on the acidity of the aromatic imidazole ring of histidine: A theoretical study

In this study we have calculated the acidity constant (pKa) of imidazole ring in Histidine‐Hydrophobic amino acid dipeptides using the quantum chemistry and continuum solvation methods. Density functional theory calculations with the large basis sets are used to determine the Gibbs free energy of deprotonate in the gas and liquid phases. Based on our results ΔG_S values are located between ?69.38 and ?18.82 kcal mol^?1 which are related to His⁺–Gly and His forms, respectively. pKa of the dipeptides in the aqueous phase was obtained from the calculated gas‐phase and solvation free energies through a thermodynamic cycle and the solvation model chemistry of Martin Karplus et al. Solvation effects are treated using a self‐consistent reaction field formalism involving polarized continuum models. According to our calculations pKa values are between 5.50 and 8.19 that are belong to His⁺–ILe and His⁺–Ala forms, respectively. Natural bond orbital analysis of dipeptides reveals that the electron delocalization in imidazole ring is the most effective factor in determination of acidity order for these compounds. Structural analysis confirmed that the orientation of carbonyl group with respect to imidazole ring is an effective factor in imidazole ring stability. © 2011 Wiley Periodicals, Inc. Int J Quantum Chem, 2011     

Interacting ghost dark energy in non-flat universe

A new dark energy model called “ghost dark energy” was recently suggested to explain the observed accelerating expansion of the universe. This model originates from the Veneziano ghost of QCD. The dark energy density is proportional to Hubble parameter, ρ _D  = α H, where α is a constant of order L_QCD³{\Lambda_{\rm QCD}^3} and Λ_QCD ~ 100 MeV is QCD mass scale. In this Letter, we extend the ghost dark energy model to the universe with spatial curvature in the presence of interaction between dark matter and dark energy. We study cosmological implications of this model in detail. In the absence of interaction the equation of state parameter of ghost dark energy is always w _D > −1 and mimics a cosmological constant in the late time, while it is possible to have w _D < −1 provided the interaction is taken into account. When k = 0, all previous results of ghost dark energy in flat universe are recovered. For the observational test, we use Supernova type Ia Gold sample, shift parameter of cosmic microwave background radiation and the correlation of acoustic oscillation on the last scattering surface and the baryonic acoustic peak from Sloan Digital Sky Survey are used to confine the value of free parameter of mentioned model.