Synthesis and characterization of diselenide crosslinked polymeric micelles via Diels–Alder click reaction

ABSTRACT

A well-defined amphiphilic block copolymer, poly (ethylene oxide)-b-(poly (furfuryl methacrylate) (PEO-b-PFMA) was prepared by single electron transfer living radical polymerization using tris(dimethylamino)ethyl amine (Me6TREN) as a ligand. The block copolymer formed sub-100 nm micelles in water with PEO as a shell and PFMA as a core. Diels–Alder click type reaction was employed to form core-crosslinked micelles using a diselenide-containing crosslinker without any catalyst. The block copolymer and micelles were characterized by gel permeation chromatography, nuclear magnetic resonance, Fourier-transform infrared spectroscopy, dynamic light scattering analysis and transmission electron microscopy. The stability of core-crosslinked micelles under reductive-oxidative condition was also investigated. The diselenide crosslinked micelles displayed good stability against extensive dilution but decomposed under the presence of hydrogen peroxide or glutathione. The redox responsive core-crosslinked micelles can be a promising carrier for drug delivery applications.     

Effective Dynamics for a Kinetic Monte–Carlo Model with Slow and Fast Time Scales

We consider several multiscale-in-time kinetic Monte Carlo models, in which some variables evolve on a fast time scale, while the others evolve on a slow time scale. In the first two models we consider, a particle evolves in a one-dimensional potential energy landscape which has some small and some large barriers, the latter dividing the state space into metastable regions. In the limit of infinitely large barriers, we identify the effective dynamics between these macro-states, and prove the convergence of the process towards a kinetic Monte Carlo model. We next consider a third model, which consists of a system of two particles. The state of each particle evolves on a fast time-scale while conserving their respective energy. In addition, the particles can exchange energy on a slow time scale. Considering the energy of the first particle, we identify its effective dynamics in the limit of asymptotically small ratio between the characteristic times of the fast and the slow dynamics. For all models, our results are illustrated by representative numerical simulations.     

Effect of Zn doping on electronic structure and optical properties zincblende GaN(A DFT+U insight)

The development of new materials,having exceptional properties in comparison to existing materials is highly required for bringing advancement in electronic and optoelectronic technologies.Keeping this fact,we investigated structural,electronic,and optical properties of zincblende GaN doped with selected Zn concentrations(6.25%,12.50%,and 18.70%),using the first-principle calculations based on density functional theory with GGA+U.We conducted the entire study using the WIEN2K code.In this study,we calculated various significant parametric quantities such as cohesive energies,formation energies,bulk moduli,and lattice constants along with the study of optical and electronic properties by substituting Ga atoms with Zn atoms in 1×2×2 supercell.The structural stability is confirmed by studying the phonon dispersion curves which suggest that Zn:GaN material is stable against the 6.25%and 18.70%Zn concentrations while for 12.50%,it shows instability.The Hubbard values U=0,2,4,6 eV were added to GGA and the electronic properties were improved with the U=6 eV.Optical absorption was blue shifted while the refractive index and dielectric constant were increased with increasing the Zn concentrations.Electronic properties are enhanced due to the prime contribution of cations(Zn)3ri states.The optical and electronic properties are further discussed in detail in the entire study.     

Biology-oriented drug synthesis (BIODS), in vitro urease inhibitory activity,and in silico studies on ibuprofen derivatives

Molecular Diversity - Novel ibuprofen derivatives 1–19 including ibuprofen hydrazide 1, and substituted thiourea derivatives 2–19 were synthesized and characterized by EI-MS, FAB-MS,...     

Taylor expansions for distributions

We present the Taylor asymptotic expansion of a perturbed distribution of the form is a smooth function defined in ?ⁿ. First we present the one-dimensional theory to illustrate the underlying concepts and then we discuss the multi-dimensional case. We find that various known results follow as special limits of our results.     

Periodicity of pricing and marketing efforts in a distribution channel

Most research about cooperative (coop) advertising programs in channels relies on the assumption that manufacturers and retailers decide of pricing and marketing efforts simultaneously. This paper evaluates this central assumption and investigates the optimal periodicity (sequence of move) of pricing and marketing efforts (ME) decisions for a distribution channel. We develop a game theoretic model that accounts for pricing at each level of the channel, for the manufacturer’s ME mix strategies (a direct ME to consumers and coop advertising program offered to the retailer) and the retailer’s ME as well. We obtain solutions for a bilateral channel under different vertical interaction scenarios; when the channel is led by the manufacturer, the retailer or when channel members decide simultaneously of each of their marketing mix decisions (vertical Nash). We compare the effect of pricing and ME decision periodicity on outputs for each channel member. The main findings suggest that simultaneous decision-making of pricing and ME is optimal only for high enough levels of the manufacturer’s ME effects. For very highly effective marketing efforts, sequential play of pricing and ME allows channel members to implement equilibrium strategies and achieve maximum profits that would not be achieved with simultaneous decision-making. This highlights the importance of relaxing the simultaneous play assumption of pricing and ME in a distribution channel.     

Vendor Management Inventory with consignment contracts and the benefits of cooperative advertising

Most of the cooperative advertising literature has focused on studying the effects of such programs considering marketing variables. This paper integrates production and inventory management with pricing and advertising considerations to assess the effects of cooperative advertising programs in bilateral monopolies. We consider a supply chain where a Vendor Managed Inventory (VMI) along with a consignment contract is implemented to coordinate the chain. We develop and solve a differential model for two games. The first one is a benchmark scenario where no cooperative advertising is offered, while the manufacturer offers the cooperative program in the second game. The main results show that cooperative advertising programs, usually considered as successful marketing initiatives, can be very difficult to implement in a supply chain undertaking a VMI policy with a consignment contract, in which operations and marketing interface is taken into account. A cooperative program mainly hurts the manufacturer’s profits, and can be profit-Pareto-improving only in a few cases. Although the retailer is generally willing to receive a support from the manufacturer, she can opt for a non-cooperative program when the largest part of the supply chain profits goes to the manufacturer. We developed several special cases to strengthen our findings.     

Impulsive rotatory motion of a circular disk in a viscous fluid

Zusammenfassung Es wird eine analytische Methode für die Bestimmung der Geschwindigkeit der Strömung und der Winkelgeschwindigkeit einer kreisförmigen Scheibe gegeben, die in einer zähen, inkompressiblen Flüssigkeit einen Drehstoss erhält.

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This research was sponsored by the US. Army under contract no. DA-11-022-ORD-2059 with the University of Wisconsin.