Urea dimethacrylates functionalized with bisphosphonate/bisphosphonic acid for improved dental materials

Incorporation of bisphosphonate/bisphosphonic acid groups in dental monomer structures should increase interaction of these monomers with dental tissue as these groups have strong affinity for hydroxyapatite. Therefore, new urea dimethacrylates functionalized with bisphosphonate (1a, 1b) and bisphosphonic acid (2a, 2b) groups are synthesized and evaluated for dental applications. Monomers 1a and 1b are synthesized from 2‐isocyanatoethyl methacrylate (IEM) and two bisphosphonated amines (BPA1 and BPA2), prepared as reported elsewhere. Selective dealkylation of the bisphosphonate ester groups of 1a and 1b using trimethylsilyl bromide (TMSBr) gives monomers (2a and 2b) with bisphosphonic acid functionality. X‐ray diffractometer (XRD), Raman spectroscopy, and X‐ray photoelectron spectroscopy (XPS) analyses of monomer‐treated HAP particles show that 2a induces formation of stable monomer‐calcium salts, similar to 10‐methacryloyloxydecyl dihydrogen phosphate (MDP), with higher chemical interaction than 2b. The photopolymerization studies indicate good copolymerizability with commercial dental monomers. In vitro studies on NIH 3T3 mouse embryonic fibroblast cells have clearly shown that the tested monomers (1b and 2b) are not toxic according to the MTT standards. All these properties make these monomers suitable as biocompatible cross‐linkers/adhesives for dental applications. © 2017 Wiley Periodicals, Inc. J. Polym. Sci., Part A: Polym. Chem. 2017 , 55, 3195–3204     

A novel approach for strong S-Box generation algorithm design based on chaotic scaled Zhongtang system

Nonlinear Dynamics - Substitution Box (S-Box) is one of the most significant structures used to create an encryption which is strong and resistant against attacks in block encryption algorithms....     

Experimental and computational studies on (<Emphasis Type="Italic">Z</Emphasis>)-1-((4-phenylamino)phenylamino)-methylene)naphthalen-2(1<Emphasis Type="Italic">H</Emphasis>)-one

The Schiff base compound (Z)-1-((4-phenylamino)phenylamino)methylene)naphthalen-2(1H)-one has been synthesized and characterized by IR, UV–Vis, and X-ray single-crystal determination. Molecular geometry from X-ray experiment of the title compound in the ground state have been compared using the Hartree–Fock (HF) and density functional method (B3LYP) with 6−31G(d,p) basis set. Calculated results show that density functional theory DFT and HF can well reproduce the structure of the title compound. Using the time-dependent density functional theory (TD-DFT) and Hartree–Fock (TD-HF) methods, electronic absorption spectra of the title compound have been predicted and a good agreement with the TD-DFT method and experimental ones is determined. The energetic behavior of the title compound in solvent media has been examined using B3LYP method with the 6−31G(d,p) basis set by applying the polarizable continuum model (PCM). The total energy of the title compound decreases with increasing polarity of the solvent. In addition, DFT calculations of the title compound, molecular electrostatic potential (MEP), natural bond orbital analysis (NBO), and non-linear optical (NLO) properties were performed at B3LYP/6−31G(d,p) level of theory.     

Asymmetric benzoin reaction catalyzed by benzoylformate decarboxylase

Aromatic aldehydes are converted into benzoins by benzoylformate decarboxylase catalyzed C–C bond formation. The reaction affords (R)-benzoins with high enantiomeric excess and in good chemical yields. A broad range of aromatic aldehydes can be used as substrates in aqueous buffer or buffer/DMSO-solutions.     

Monotonicity of input-output mappings in inverse coefficient and source problems for parabolic equations

This article presents a mathematical analysis of input-output mappings in inverse coefficient and source problems for the linear parabolic equation ut=(kx(x)ux)+F(x,t), (x,t)∈ΩT:=(0,1)×(0,T]. The most experimentally feasible boundary measured data, the Neumann output (flux) data f(t):=−k(0)ux(0,t), is used at the boundary x=0. For each inverse problems structure of the input-output mappings is analyzed based on maximum principle and corresponding adjoint problems. Derived integral identities between the solutions of forward problems and corresponding adjoint problems, permit one to prove the monotonicity and invertibility of the input-output mappings. Some numerical applications are presented.     

A Heuristic for Obtaining and Initial Solution for the Transportation Problem

A heuristic for obtaining an initial solution for the transportation problem is presented. Comparison of findings obtained by the new heuristic and Vogel's approximation method (VAM) are tabulated for 480 examples. Superior performance of the new heuristic over VAM is discussed in terms of total costs obtained, number of iterations required to reach the final solution, and CPU time required to solve the problems. Experimental design aspects are also presented.     

Elliptical Solutions to the Standard Cosmology Model with Realistic Values of Matter Density

We have examined a solution to the FRW model of the Einstein and de Sitter Universe, often termed the standard model of cosmology, using wide values for the normalized cosmic constant (Ω_∧) and spacetime curvature (Ω _k ) with proposed values of normalized matter density. These solutions were evaluated using a combination of the third type of elliptical equations and were found to display critical points for redshift z, between 1 and 3, when Ω_∧ is positive. These critical points occur at values for normalized cosmic constant higher than those currently thought important, though we find this solution interesting because the Ω_∧ term may increase in dominance as the Universe evolves bringing this discontinuity into importance. We also find positive Ω_∧tends towards attractive at values of z which are commonly observed for distant galaxies.     

Fast interfacial ionic conduction in nanostructured glass ceramics

The hopping movements of mobile ions in a nanostructured LiAlSiO4 glass ceramic are characterized by time-domain electrostatic force spectroscopy (TDEFS). While the macroscopic conductivity spectra are governed by a single activation energy, the nanoscopic TDEFS measurements reveal three different dynamic processes with distinct activation energies. Apart from the ion transport processes in the glassy and crystalline phases, we identify a third process with a very low activation energy, which is assigned to ionic movements at the interfaces between the crystallites and glassy phase. Such interfacial processes are believed to play a key role for obtaining high ionic conductivities in nanostructured solid electrolytes.