Khillah extract as inhibitor for acid corrosion of SX 316 steel

The inhibitive effect of the extract of khillah (Ammi visnaga) seeds, on the corrosion of SX 316 steel in HCl solution was determined using weight loss measurements as well as potentiostatic technique. It was found that the presence of the extract reduces markedly the corrosion rate of steel in the acid solution. The inhibition efficiency increases as the extract concentration is increased. The inhibitive effect of khillah extract was discussed on the basis of adsorption of its components on the metal surface. Negative values were calculated for the energy of adsorption indicating the spontaneity of the adsorption process. The formation of insoluble complexes as a result of interaction between iron cations and khellin, which present in the extract, was also discussed.     

The first total syntheses of (±)-Preussomerins K and L using 2-arylacetal anion technology

The first syntheses of newly isolated members of the Preussomerin family, Preussomerins K and L, are reported. Key steps include the functionalisation of a 2-arylacetal anion, one-pot Friedel-Crafts cyclisation-deprotection and reductive opening of epoxides.     

On the orthogonality of natural modes of vibration

The natural modes of a discrete linear system are orthogonal with respect to the mass and stiffness matrices in a generalized sense. However, these modes are usually not orthogonal to each other in the ordinary sense. The purpose of this paper is to document a number of conditions under which the modes are also orthogonal in an ordinary fashion.     

自相似结构壳模型

为了扩展以简谐振子为基矢的常规壳模型（ＳＭ）计算到晕核，提出了自相似结构壳模型（ＳＳＭ）．通过对简谐振子动能项和势能项的重度规以及单粒子平均场模拟，可以得到ＳＳＭ中的单粒子轨道有态相关的圆频率，在ＳＳＭ中，晕核大的均方根半径、厚的中子皮以及Ｂｏｒｒｏｍｅａｎ晕核和的束缚态性质能够再现出来。     

Determination of ultra-trace gold in natural water by graphite furnace atomic absorption spectrophotometry after in situ enrichment with thiol cotton fiber

A simple method of determining ultra-trace Au in natural water was presented by using graphite furnace atomic absorption spectrophotometry (GFAAS) after in situ enrichment with thiol cotton fiber (TCF). The sample solution was adjusted to pH 1.5-2.0 with HCl, then the water sample was passed through a column packed with 0.10-0.20 g TCF and the flow rate was controlled at 20-40 ml min⁻¹. The effects of interferences, such as complexing and oxidizing agents and other elements adsorbed on TCF were overcome by chemical treatments prior to the desorption of Au. The adsorbed Au was adsorbed with 2.0 ml hot acid, then it was extracted with 1.00 ml methyl isobutylketone (MIBK). For a 5 l water sample, the detection limit of Au is 0.02 ng l⁻¹. The relative standard deviation (R.S.D.) for the determination of 1.44 ng l⁻¹ Au was 9.4%.The method was applied to determine ultra-trace Au both in suspended phase and soluble phase in natural water, the concentrations of total Au in natural water samples range from 0.51 to 67.82 ng l⁻¹. The recovery of added 0.50-6.00 ng l⁻¹ Au was 80-95%. The method is useful in prospecting for Au deposits by means of hydrogeochemical methods. The enrichment is carried out in the field, and then the determination of Au is completed later in the laboratory.     

THE COUPLING OF NATURAL BOUNDARY ELEMENT AND FINITE ELEMENT METHOD FOR 2D HYPERBOLIC EQUATIONS

In this paper, we investigate the coupling of natural boundary element and finite element methods of exterior initial boundary value problems for hyperbolic equations. The governing equation is first discretized in time, leading to a time-step scheme, where an exterior elliptic problem has to be solved in each time step. Second, a circular artificial boundary FR consisting of a circle of radius R is introduced, the original problem in an unbounded domain is transformed into the nonlocal boundary value problem in abounded subdomain. And the natural integral equation and the Poisson integral formula are obtained in the infinite domainΩ2 outside circle of radius R. The coupled variational formulation is given. Only the function itself, not its normal derivative at artificial boundary ΓR, appears in the variational equation, so that the unknown numbers are reducedand the boundary element stiffness matrix has a few different elements. Such a coupled method is superior to the one based on direct boundary element method. This paper discusses finite element discretization for variational problem and its corresponding numerical technique, and the convergence for the numerical solutions. Finally, the numerical example is presented to illustrate feasibility and efficiency of this method.     

Radical Couplings as Key Steps for the Preparation of Derivatives of Nonactic Acid

Summary. Free radical couplings from furan, as cheap starting material, were studied in view of developing a rapid strategy en route to the synthesis of derivatives of nonactin. The chain containing the alcohol function was introduced in one or two steps in 86% yield. For the introduction of the second chain with the ester function two different coupling methods were tested. Starting from the advanced intermediates obtained nonactin derivatives can be prepared by catalytic hydrogenation of the furan ring.     

Non-linear approximations for natural convection in a horizontal annulus

Two different problems are proposed as approximations of the usual system modelling natural convection under the Oberbeck-Boussinesq assumptions. The error is evaluated by means of the norm of its gradient in the Hilbert space. The average Nusselt number is also estimated.     

Electronic structure and vibrational spectra of cis-diammine(orotato)platinum(II), a potential cisplatin analogue: DFT and experimental study

Orotic acid (vitamin B₁₃) is a key intermediate in biosynthesis of the pyrimidine nucleotides in living organisms, moreover, it may serve as the biological carrier for some metal ions. cis-Diammine(orotato)platinum(II), cis-[Pt(C₅H₂N₂O₄)(NH₃)₂] can be considered as a new potential cisplatin analogue. The FT-Raman and FT-IR spectra of the title complex are reported, for the first time. The molecular structure, vibrational frequencies, and the theoretical infrared and Raman intensities have been calculated by the density functional mPW1PW91 method. The detailed vibrational assignment has been made on the basis of the calculated potential energy distribution. The theoretically predicted IR and Raman spectra show very good agreement with experiment. Natural bond orbital (NBO) analyses were performed for cisplatin, carboplatin and the title complex. The results provided new data on the nature of platinum–ligand bonding in these compounds. Strong intramolecular hydrogen bond between the orotate ligand and the coordinated ammonia group stabilizes the structure of the platinum(II) complex. Thus, it is suggested that the orotate ligand in the title complex is more inert to the substitution reactions than the chloride ligands in cisplatin.