The Reaction of (N‐Isocyanimino)triphenylphosphorane with Biacetyl in the Presence of Aromatic Carboxylic Acids: Efficient One‐Pot Three‐Component Reaction for the Synthesis of 3‐(5‐Aryl‐1,3,4‐oxadiazol‐2‐yl)‐3‐hydroxybutan‐2‐one Derivatives

Reactions of biacetyl (=butane‐2,3‐dione) with (N‐isocyanimino)triphenylphosphorane in the presence of aromatic carboxylic acids proceed smoothly at room temperature and under neutral conditions to afford 3‐(5‐aryl‐1,3,4‐oxadiazol‐2‐yl)‐3‐hydroxybutan‐2‐one derivatives in high yields.     

Residual and Past Discrete Tsallis and Renyi Extropy with an Application to Softmax Function

In this paper, based on the discrete lifetime distribution, the residual and past of the Tsallis and Renyi extropy are introduced as new measures of information. Moreover, some of their properties and their relation to other measures are discussed. Furthermore, an example of a uniform distribution of the obtained models is given. Moreover, the softmax function can be used as a discrete probability distribution function with a unity sum. Thus, applying those measures to the softmax function for simulated and real data is demonstrated. Besides, for real data, the softmax data are fit to a convenient ARIMA model.     

Reproducing-kernel-based splines for the regularization of the inverse ellipsoidal gravimetric problem

To solve the inverse gravimetric problem, i.e. to reconstruct the Earth's mass density distribution by using the gravitational potential, we introduce a spline interpolation method for the ellipsoidal Earth model, where the ellipsoid has a rotational symmetry. This problem is ill-posed in the sense of Hadamard as the solution may not exist, it is not unique and it is not stable. Since the anharmonic part (orthogonal complement) of the density function produces a zero potential, we restrict our attention only to reconstruct the harmonic part of the density function by using the gravitational potential. This spline interpolation method gives the existence and uniqueness of the unknown solution. Moreover, this method represents a regularization, i.e. every spline continuously depends on the given gravitational potential. These splines are also combined with a multiresolution concept, i.e. we get closer and closer to the unknown solution by increasing the scale and adding more and more data at each step.     

An improved electrochemical method for the synthesis of some benzofuran derivatives

Electrochemical oxidation of catechol and some 3-substituted catechols (1a--c) has been studied in the presence of 2-chloro-5,5-dimethyl-1,3-cyclohexanedione (3) in aqueous solution using cyclic voltammetry and controlled-potential coulometry. The results indicate that the quinones derived from catechols (1a--c) participate in a Michael addition reaction with 2-chloro-5,5-dimethyl-1,3-cyclohexanedione (3) with consumption of only two electrons per molecule of (1a--c) to from the corresponding benzoforans (10a--c). The electrochemical synthesis of benzofurans has been successfully performed at a carbon rod electrode and in an undivided cell with high yields and purity.     

Interfacial electronic structure of vanadyl naphthalocyanine on highly ordered pyrolytic graphite

We present a core and valence region spectroscopic analysis of the interfacial electronic structure of thin films of vanadyl naphthalocyanine (VONc) deposited onto highly oriented pyrolytic graphite (HOPG). X-ray photoelectron spectroscopy indicates the predominantly ionic character of the vanadyl metal center coordinated by the heterocycle and affords the bandgap in the thin VONc films. Valence band photoelectron spectroscopy points to the existence of three different adsorption geometries of VONc on the HOPG surface. The distribution of the different geometries can be systematically influenced in a simple post-deposition processing step, with an immediate effect on the interfacial electronic environment. We find spectroscopic evidence in the valence levels that VONc grows on HOPG most likely in a 2D-gas fashion rather than by nucleation and growth of islands. These data allow us to predict accurately the interface dipole in the case of a broad class of dipolar organic semiconductors, based simply on molecular dipole moment, polarizability and molecular diameter. This ability provides an important step towards rational optimization of energy level alignment in organic electronics.     

A divergent approach to highly substituted benzothiepinones and to 2,3-dihydrothieno[2,3-b]thiopyran-4-ones

The radical addition-transfer of S-(2-fluoro-phenacyl)xanthates can be used to construct rapidly benzothiepinones, including libraries of complex aza-bridged derivatives, and highly functionalized 2,3-dihydrothieno[2,3-b]thiopyran-4-ones.     

Ag3[PMo12O40]: An efficient and green catalyst for the synthesis of highly functionalized pyran‐annulated heterocycles via multicomponent reaction

A facile, efficient and eco‐friendly catalytic protocol was developed for the synthesis of medicinally important pyran‐annulated heterocycles via multicomponent reaction (MCR). Cyclocondensation of differently substituted aromatic aldehydes, malononitrile/ethyl cyanoacetate and various β‐dicarbonyl compounds in the presence of Ag₃[PMo₁₂O₄₀]?nH₂O as heterogeneous catalyst, in EtOH–H₂O, afforded diverse pyran‐fused chromene analogues. The merits observed for this approach were it being conducted via MCR, using commercially available or easily accessible starting materials in the presence of a green and easily separable heterogeneous and reusable catalyst, and affording high yields of desired products in very short reaction times with high purity in one‐pot fashion, thus providing a superior alternative approach for the synthesis of pyran‐annulated heterocycles.     

Template‐Free Synthesis of Highly b‐Oriented MFI‐Type Zeolite Thin Films by Seeded Secondary Growth

Highly b‐oriented, closely packed, MFI zeolite films are prepared on seeded stainless‐steel plates using organic template‐free, secondary growth solutions, containing aluminum sulfate as a crystallization agent. The number of a‐oriented twin crystals is significantly reduced, and even eliminated, simply by restricting the pH value of the secondary growth solution to the narrow range of 11.1–11.3. Values of pH can be adjusted through the controlled addition of (NH₄)₂SO₄ or H₂SO₄ to secondary growth solutions of the composition (1 SiO₂:0.57 NaOH:137.5 H₂O:0.0050 (Al₂(SO₄)₃?18 H₂O)) or by simply decreasing the molar composition of NaOH with no extra additives.     

Organoplatinum(IV) tris-chelate complexes, each having a cyclic metallacarbonate ring: synthesis, characterization and kinetic studies of the formation

The complexes [Pt[(CH2)4](NN)], 1a (NN = 2,2'-bipyridine) and 1b (NN = 1,10-phenanthroline) react with 2,3-epoxypropylphenyl ether in the presence of CO2 to give tris-chelate platina(IV)cyclopentane complexes characterized by 1H and 13C NMR spectroscopy as [Pt[(CH2)4](CH2CHCH2OPhOCO2)(NN)], 2. The reactions proceed by the SN2 mechanism and the rates were independent of concentration of CO2. It is demonstrated that for 1a, the reaction proceeds 2.32 times faster than the similar reaction in which the dimethyl analog, [PtMe2(2,2'-bipyridine)], is used. The analog tris-chelate complex [Pt[(CH2)4](CH2CHPhOCO2)(phen)], 3a, was similarly synthesized.     

Determination of the effective atomic and mass numbers for mixture and compound materials in high energy photon interactions

In consideration the radiological properties of materials and studying the scattering processes in atomic and nuclear physics, the effective atomic and mass numbers is widely employed. These numbers have been calculated for any mixed or composite materials in interaction with high energy photons (Linac in radiation therapy). A pair equation in terms of these numbers is obtained. The first equation has been derived from the conservation of mass energy law and the second by minimizing the binding energy from the semiempirical mass formula (Myers and Swiatecki formula) that gives a relation between atomic and mass numbers for stable nuclei approximately. By these equations one can obtain the effective atomic and mass numbers for any compound or mixed materials uniquely. These numbers are calculated for some materials and compared with the other studies.