Influences of changes in multitopic tris(pyrazolyl)methane ligand topology on silver(I) supramolecular structures

The reactions between silver tetrafluoroborate and the ligands 1,2,4,5-C(6)H(2)[CH(2)OCH(2)C(pz)(3)](4) (L1, pz = pyrazolyl ring), o-C(6)H(4)[CH(2)OCH(2)C(pz)(3)](2) (L2), and m-C(6)H(4)[CH(2)OCH(2)C(pz)(3)](2) (L3) yield coordination polymers of the formula (C(6)H(6)(-)(n)[CH(2)OCH(2)C(pz)(3)](n)(AgBF4)(m))( infinity ) (n = 4, m = 2, 1; n = 2, ortho substitution, m = 1, 2; meta substitution, m = 2, 3). In the solid state, L2 molecules dimerize by a pair of C-H.pi interactions, forming an arrangement that resembles the tetratopic ligand L1. In the solid-state structure of 1, each silver atom is kappa(2)-bonded to two tris(pyrazolyl)methane units from different ligands with the overall structure a polymer made up from 32-atom macrocyclic rings formed by bonding tris(pyrazolyl)methane groups from nonadjacent positions on the central arene rings to the same two silver atoms. In 2, each silver is bonded to two tris(pyrazolyl)methane units in the same kappa(2)-kappa(2) fashion as with 1, forming a polymer chain. The chains are organized into dimeric units by strong face-to-face pi-pi stacking between the central arene rings making bitopic L2 act as half of tetratopic L1. The chains in both structures are organized by weak C-H.F hydrogen bonds and pi-pi stacking interactions into very similar 3D supramolecular architectures. The structure of 3 contains three types of silvers with the overall 3D supramolecular sinusoidal structure comprised of 32-atom macrocycles. Infrared studies confirm the importance of the noncovalent interactions. Calculations at the DFT (B3LYP/6-31G) level of theory have been carried out on L2 and also support C-H.pi interactions. Electrospray mass spectral data collected from acetone or acetonitrile show the presence of aggregated species such as [(L)Ag(2)(BF(4))](+) and [(L)Ag(2)](2+), despite the fact that (1)H NMR spectra of all compounds show that acetonitrile completely displaces the ligand whereas acetone does not.     

Spectroscopic study on nystatin conformational modifications generated by its interaction with the solvent

Conformational transformations of the tetraenic nystatin chromophore under the influence of solvents and UV irradiation have been studied by absorption, fluorescence and wide-line NMR spectroscopy.     

Spectral,thermal and biological characterization of complexes with a Schiff base bearing triazole moiety as potential antimicrobial species

Journal of Thermal Analysis and Calorimetry - A novel series of complexes ML(ClO4)·nH2O (M: Co, Ni, Cu, Zn; HL: 2-[(E)-(1H-1,2,4-triazol-3-ylimino)methyl]phenol) have been synthesized and...     

Study of the Acid-Base Properties of sio2-Supported Nimoo4 Catalysts by Temperature-Programmeddesorption. Effect of the Active Phase Content

The acid-base properties of a series of SiO₂-supported NiMoO₄ catalysts were investigated by temperature-programmed desorption of NH₃ and CO₂. Results show that supported catalysts with ca. one monolayer of the active phase are less acidic than the unsupported stoichiometric NiMoO₄.     

Radon gas activity measurements in the frame of an international comparison

In order to validate its original method for the radon gas activity standardization and to assure the international metrological traceability and equivalence, the Radionuclide Metrology Laboratory of IFIN-HH participated recently in the international comparison CCRI(II)-K2.Rn-222, organized by the International Committee for Weights and Measures—CIPM-CCRI(II)-Radionuclide Measurements. The radon gas sample received, the measurement equipment and the experimental procedures are described. Because the comparison is underway, the results are presented only as relative values to the liquid scintillator vial measurement result. The uncertainty budget of the measurements performed is provided.     

On the convergence rate improvement of a primal-dual splitting algorithm for solving monotone inclusion problems

We present two modified versions of the primal-dual splitting algorithm relying on forward–backward splitting proposed in V\(\tilde{\mathrm{u}}\) (Adv Comput Math 38(3):667–681, 2013) for solving monotone inclusion problems. Under strong monotonicity assumptions for some of the operators involved we obtain for the sequences of iterates that approach the solution orders of convergence of \(\mathcal{{O}}(\frac{1}{n})\) and \(\mathcal{{O}}(\omega ^n)\), for \(\omega \in (0,1)\), respectively. The investigated primal-dual algorithms are fully decomposable, in the sense that the operators are processed individually at each iteration. We also discuss the modified algorithms in the context of convex optimization problems and present numerical experiments in image processing and pattern recognition in cluster analysis.     

The phase transitions of the planar random-cluster and Potts models with $$q \ge 1$$ are sharp

We prove that random-cluster models with \(q \ge 1\) on a variety of planar lattices have a sharp phase transition, that is that there exists some parameter \(p_c\) below which the model exhibits exponential decay and above which there exists a.s. an infinite cluster. The result may be extended to the Potts model via the Edwards–Sokal coupling. Our method is based on sharp threshold techniques and certain symmetries of the lattice; in particular it makes no use of self-duality. Part of the argument is not restricted to planar models and may be of some interest for the understanding of random-cluster and Potts models in higher dimensions. Due to its nature, this strategy could be useful in studying other planar models satisfying the FKG lattice condition and some additional differential inequalities.     

High frequency parallel plate probe for the measurement of the complex viscosity of liquids

In this work an instrument is described which measures the complex shear viscosity of liquids in the kHz frequency range. The instrument is driven electromagnetically and operates in resonant mode. The measurement of the primary data, from which the rheological properties of the fluid sample are inferred, does not include any deflection amplitude measuring step and is purely digital. Models allowing the interpretation of the probe primary data in terms of fluid complex viscosity are presented. The theoretically predicted mechanical behaviour of the probe is compared with the measured one and the rheometric ability of the device is discussed.     

Non-Darcian effects on conjugate natural convection between horizontal concentric cylinders filled with a porous medium

An analysis is presented of steady conjugate free convection between two horizontal concentric cylinders filled with a fluid-saturated porous medium; the innermost cylinder surface is maintained at a high temperature and the outermost cylinder surface at a lower one. The velocity-pressure-gradient relation is taken to be nonlinear, with departure from the linear Darcy situation measured by a parameter F₀. The investigation is based on the numerical solution, by a finite-difference method, of the full momentum and energy equations. The streamline and isotherm patterns as well as the local and mean Nusselt numbers are plotted for several physical parameters to show some of the flow and heat transfer characteristics. It is found that all parameters play an important role in the flow and heat transfer characteristics. The model can be applied to a variety of engineering problems.     

Unbounded divergence of simple quadrature formulas

Given a sequence of real or complex coefficients c_i and a sequence of distinct nodes t_i in a compact interval T, we prove the divergence and the unbounded divergence on superdense sets in the space C(T) of the simple quadrature formulas ∝_Tx(t)du(t) = Q_n(x) + R_n(x) and ∝_Tw(t)x(t)dt = Q_n(x) + R_n(x), where Q_n(x)=∑_i=1^m_n c_ix(t_i), ε C(T).The divergence (not certainly unbounded) for at most one continuous function of the first simple quadrature formula, with m_n = n and u(t) = t, was established by P. J. Davis in 1953.