Stochastic upscaling of random microstructures

In this work we present an upscaling technique for multi-scale computations based on random microstructures modelled as realisations of lognormally distributed random fields, or described by randomly distributed inclusions in a homogeneous matrix. Their corresponding coarse-scale model parameters are considered as uncertain, and are approximated by random variables, the distributions of which are obtained via polynomial chaos based Bayesian procedures in which the fine-scale energy is used as an observation. (© 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim)     

Dual and tetraelectrode QCMs using imprinted polymers as receptors for ions and neutral analytes

Polymers as coating materials were combined with quartz crystal microbalances (QCMs) to design sensor devices for the detection of both ionic and neutral analytes in liquid phase. The design and geometry of dual and tetraelectrode QCMs have been optimized to reduce electric field interferences. An unusual Sauerbrey effect was observed while exposing potassium salt solution to 10- and 20-MHz QCMs, i.e. increase in the frequency shifts by a factor of seven, which is attributed to electro-acoustic phenomena. Non-functionalized sol-gel materials were synthesized by templating with hydrophobic salt such as tetraethyl ammonium picrate. Imprinting with these ions of low charge density leads to sensitive layers, and UV–Vis spectroscopy was used to check re-inclusion of this analyte. In the next strategy, functionalized polyurethane for potassium ions and sol-gel materials with aminopropyl group as ligand were generated to tune selectivity and sensitivity towards Ni²⁺ and Cu²⁺. Methacrylic acid polymers were optimized for the detection of atrazine by hydrogen bonding; double molecular imprinted polyurethane approach was followed for pyrene recognition. Finally, these imprinted polymers were combined with tetraelectrode QCM to develop sensor platform.     

Mathematical modeling on the effect of equivalence ratio in emission characteristics of compression ignition engine with hydrogen substitution

The investigation presented in this paper concerns on the computational simulation of emissions characteristics in compression ignition engine with hydrogen substitution. Combustion process has been modeled based on Equilibrium Constants Method (ECM) with MATLAB program to calculate the mole fractions of 18 combustion products when hydrogen is burnt along with diesel fuel at variable equivalence ratios. It can be observed that hydrogen substitution causes significant increase in NH₃, H₂, atom H emissions during rich combustion and OH, NO₂, HNO₃ emissions during lean combustion. As the equivalence ratio increases during rich combustion, mole fractions of HCN, CH₄, CO and atom C decreases with increment of hydrogen substitution. N₂, atom N and CO₂ emissions decrease whereas no significant changes in O₂, NO, O₃ and atom O emissions throughout all equivalence ratios as hydrogen is added to the combustion.     

Quasi-Newton methods in infinite-dimensional spaces and application to matrix equations

In the first part of this paper, we give a survey on convergence rates analysis of quasi-Newton methods in infinite Hilbert spaces for nonlinear equations. Then, in the second part we apply quasi-Newton methods in their Hilbert formulation to solve matrix equations. So, we prove, under natural assumptions, that quasi-Newton methods converge locally and superlinearly; the global convergence is also studied. For numerical calculations, we propose new formulations of these methods based on the matrix representation of the dyadic operator and the vectorization of matrices. Finally, we apply our results to algebraic Riccati equations.     

Phytochemical and cytotoxic investigations of Curcuma mangga rhizomes

Investigations on the cytotoxic effects of the crude methanol and fractionated extracts (hexane, ethyl acetate) C. mangga against six human cancer cell lines, namely the hormone-dependent breast cell line (MCF-7), nasopharyngeal epidermoid cell line (KB), lung cell line (A549), cervical cell line (Ca Ski), colon cell lines (HCT 116 and HT-29), and one non-cancer human fibroblast cell line (MRC-5) were conducted using an in-vitro neutral red cytotoxicity assay. The crude methanol and fractionated extracts (hexane and ethyl acetate) displayed good cytotoxic effects against MCF-7, KB, A549, Ca Ski and HT-29 cell lines, but exerted no damage on the MRC-5 line. Chemical investigation from the hexane and ethyl acetate fractions resulted in the isolation of seven pure compounds, namely (E)-labda-8(17),12-dien-15,16-dial (1), (E)-15,16-bisnor-labda-8(17),11-dien-13-on (2), zerumin A (3), β-sitosterol, curcumin, demethoxycurcumin and bis-demethoxycurcumin. Compounds 1 and 3 exhibited high cytotoxic effects against all six selected cancer cell lines, while compounds 2 showed no anti-proliferative activity on the tested cell lines. Compound 1 also demonstrated strong cytotoxicity against the normal cell line MRC-5. This paper reports for the first time the cytotoxic activities of C. mangga extracts on KB, A549, Ca Ski, HT-29 and MRC-5, and the occurrence of compound 2 and 3 in C. mangga.     

Tailoring the optical and magnetic properties of La-BaM hexaferrites by Ni substitution

We investigate the impact of Ni insertion on the structural,optical,and magnetic properties of Ba_0.8La_0.2Fe_12-xNi_xO₁₉hexaferrites(Ni substituted La-BaM hexaferrites).Samples were prepared using the conventional co-precipitation method and sintered at 1000℃for 4 hours to assist the crystallization process.An analysis of the structure of the samples was carried out using an x-ray diffraction(XRD)spectrometer.The M-type hexagonal structure of all the samples was confirmed using XRD spectra.The lattice parameters a and c were found to be in the ranges of 5.8925±0.001 nm–5.8952±0.001 nm and 23.2123±0.001 nm–23.2219±0.001 nm,respectively.The M-type hexagonal nature of the prepared samples was also indicated by the presence of corresponding FT-IR bands and Raman modes in the FT-IR and Raman spectra,respectively.EDX results confirmed the successful synthesis of the samples according to the required stoichiometric ratio.A UV-vis spectrometer was used to record the absorption spectra of the prepared samples in the wavelength range of 200 nm–1100 nm.The optical energy bandgap of the samples was found to be in the range of 1.21 eV–3.39 eV.The M–H loops of the samples were measured at room temperature at an applied magnetic field range of 0 kOe–60 kOe.A high saturation magnetization of 99.92 emu/g was recorded in the sample with x=0 at a microwave operating frequency of 22.2 GHz.This high value of saturation magnetization is due to the substitution of La3+ions at the spin-up(12k,2a,and 2b)sites.The Ni substitution is proven to be a potential candidate for the tuning of the optical and magnetic parameters of M-type hexaferrites.Therefore,we suggest that the prepared samples are suitable for use in magneto-optic applications.     

Second-harmonic generation from monolayer Langmuir–Blodgett films of various push–pull pyridine and terpyridine metal complexes

The new ligands (E)-4-[2-(4-(N-methyl-N-hexadecylaminophenyl)ethenyl]pyridine (L¹) and 4′-(C₆H₄-p-N(Me)(hexadecyl))-2,2′:6′,2″-terpyridine (L²) were prepared along with their complexes [cis-Ir(CO)₂ClL¹], [fac-Os(CO)₃Cl₂L¹], [ZnCl₂L²] and [IrCl₃L²]. Whereas these complexes show a large second-order nonlinear optical (NLO) response at the molecular level, similar to that of related organic alkylated salts as evidenced by the Electric Field Induced Second-Harmonic (EFISH) generation technique, their Langmuir–Blodgett (LB) film susceptibility is lower than that of the salts.     

马林果砖红色素的提取及理化性质研究

以马林果为原料,30%乙醇作溶剂提取砖红色素并研究该色索的理化性质．通过实验证明该色索耐热。耐光．在食品工业和医药方面有一定的利用价值．     

Polarographic study of mixed ligand complexes of Pb(II) with carboxylate ions and imidazole

Mixed complexes of Pb(II) with some carboxylate ions, viz. tartrate (tart^2?), malonate (mal^2?) and citrate (citr^3?); and imidazole (im) have been studied polarographically at 25°C and at constant ionic strength μ = 2.0 (NaNO₃) and at pH 6. The polarographic reduction of the complexes in each case is reversible and diffusion-controlled. Pb(II) forms a single mixed complex with tartrate and imidazole, viz [Pb(tart)(im)] with stability constant log β₁₁ = 4.19; with mal^2? and im, three mixed complexes, [Pb(mal)(im)], [Pb(mal)(im)₂] and [Pb(mal)₂(im)]^2? with stability constants log β₁₁ = 4.3, log β₁₂ = 7.3 and log β₂₁ = 5.5 respectively are formed. With citr^3? and im a single mixed species, [Pb(citr)(im)]^? with stability constant log β₁₁ = 8.0 is formed. Various equilibria involved in the mixed systems have been discussed.     

Polarographic study of Eu(III)-succinate-ethylenediamine and Eu(III)-malonate-ethylenediamine mixed systems

The mixed complexes of Eu(III) with succinate (succ^2?) and malonate (mal^2?) and ethylenediamine (en) have been studied polarographically at 25°C and at constant ionic strength, μ = 0.1 (NaNO₃) and pH 6. The reduction of the complexes in each case is quasi-reversible and diffusion-controlled. In each system three mixed complexes are formed, viz. [Eu(succ)(en)]⁺, [Eu(succ)(en)2]⁺ and [Eu(succ)₂(en)]^? with stability constants log β₁₁ = 9.2, log β₁₂ = 17.5 and log β₂₁ = 11.7; and [Eu(mal)(en)]⁺, [Eu(mal)₂(en)₂]^? and [Eu(mal)₃(en)]^3? with stability constants log β₁₁ = 11.4, log β₂₂ = 19.08 and log β₃₁ = 13.5 respectively.