Numerical method to solve chemical differential‐algebraic equations

In this article, the solution of a chemical differential‐algebraic equation model of general type F(y, y′, x) = 0 has been done using MAPLE computer algebra systems. The MAPLE program is given in the Appendix . First we calculate the Power series of the given equations system, then we transform it into Padé series form, which gives an arbitrary order for solving chemical differential‐algebraic equation numerically. © 2002 Wiley Periodicals, Inc. Int J Quantum Chem, 2002     

Synthesis of uvaretin,an antitumour and antimicrobial flavonoid

The flavonoid uvaretin (1-(2,4-di-hydroxy-6-methoxy-3-((2-hydroxy phenyl)-methyl)-phenyl)-3-phenyl-1-propanone), known to be active against some tumours and several bacteria, has been synthesized in six steps from 2′,4′,6′-trimethoxyacetophenone, 2-hydroxybenzaldehyde and benzaldehyde.     

Determination of Anomalin and Deltoin in Seseli resinosum by LC Combined with Chemometric Methods

Liquid chromatography–chemometric methods [LC-Partial least squares (LC-PLS), LC-principle component regression (LC-PCR) and LC-artificial neural network (LC-ANN)] were developed for the determination of (?)-anomalin (ANO) and deltoin (DEL) in the root and aerial part of Seseli resinosum Freyn et Sint. (Umbelliferae). Firstly, chemometric conditions were optimized by testing different mobile phases at various proportions of solvents with various flow rates in different wavelengths by using a normal phase column to obtain the best separation and recovery results. As a result, a mobile phase consisting of n-hexane and ethyl acetate (75:25 v/v) at a constant flow rate of 0.8 mL min^?1 on the above column system at ambient temperature were found to be the optimal chromatographic condition for good separation and determination of ANO and DEL in samples. Multichromatograms for the concentration set containing ANO and DEL compounds in the concentration range of 50–400 ng mL^?1 were obtained by using a diode array detector (DAD) system at selected wavelength sets, 300 (A), 310 (B), 320 (C), 330 (D) and 340 (E). Three LC-chemometric approaches were applied to the multichromatographic data to construct chemometric calibrations. As an alternative method, traditional LC at single wavelength was used for the analysis of the related compounds in the plant extracts. All of the methods were validated by analyzing various synthetic ANO–DEL mixtures. After the above step, traditional and chemometric LC methods were applied to the real samples consisting of extracts from roots and aerial parts of S. resinosum. The results obtained by LC-chemometric approaches were compared to each other and with those obtained by traditional LC.     

Pseudo f-Manifolds with Complemented Frames

In this paper we study pseudo \({\varphi}\)-structure on a differential manifold in which is a tensor field of type (1, 1) satisfying \({\varphi^{3}\,-\,\varphi=0}\). We obtain basic curvature tensor fields for pseudo f-manifolds with complemented frame.     

Fabrication of bimetallic Pt/Pd nanoparticles on 2-thiolbenzimidazole functionalized reduced graphene oxide for methanol oxidation

In this study, an electrocatalyst based on 2-thiolbenzimidazole (TBI) functionalized reduced graphene oxide (rGO) with platinum and palladium nanoparticles (Pt-PdNPs) was synthesized. The successful synthesis of nanomaterials and the prepared glassy carbon electrode (GCE) surfaces were confirmed by transmission electron microscope, X-ray photo electron spectroscopy, scanning electron microscope, electrochemical impedance spectroscopy and X-ray diffraction method. The effective surface areas of TBIrGO/GCE, PdNPs/TBIrGO/GCE, PtNPs/TBIrGO/GCE and Pt-PdNPs/TBIrGO/GCE were calculated to be 324, 578, 667 and 1189 cm²/mg, respectively. According to the results, the electrochemical surface area of the Pt-PdNPs/TBIrGO is 3.67, 2.06 and 1.78 times higher than those of TBIrGO, PdNPs/TBIrGO and PtNPs/TBIrGO, respectively. The Pt-PdNPs/TBIrGO/GCE also exhibited higher peak current for methanol oxidation than those of comparable TBIrGO/GCE, PdNPs/TBIrGO/GCE, PtNPs/TBIrGO/GCE modified GCEs, thus providing evidence for its higher electro-catalytic activity.     

Parallel factor analysis and trilinear partial least squares applied to the UPLC-PDA data array for the quantification of brimonidine tartrate and timolol maleate in an eye drop formulation

Simultaneous quantification of brimonidine tartrate (BRI) and timolol maleate (TIM) in an eye drop formulation was performed by applying parallel factor analysis (PARAFAC) and trilinear (three way) partial least squares to the ultra performance liquid chromatography-photodiode array (UPLC-PDA) data array. In PARAFAC and 3 W-PLS1 applications, the co-elution of the related compounds in their chromatograms obtained in the presence of ornidazole as an internal standard (IS) was resolved, and then analyses were performed. On the other hand, a new conventional ultra performance liquid chromatography (UPLC) method was developed after long and tedious studies to get desirable elution of BRI and TIM in a chromatogram using different column and mobile phase system than that of chromatographic conditions of PARAFAC and 3 W-PLS1 applications. The performance and validity of all the proposed methods were confirmed by analyzing independent validation samples consisting of synthetic mixture, intraday and interday samples, and standard addition samples. Analysis results of BRI and TIM in eye drop samples by chemometric PARAFAC and 3 W-PLS1, and conventional UPLC were statistically compared to each other. It was concluded that PARAFAC and 3 W-PLS1 have shortest analysis time and lower cost than the developed conventional UPLC method for the analysis of the related compounds in commercial eye drop preparation with adequate selectivity and sensitivity.     

Cr(III), Fe(III) and Co(III) complexes of tetradentate (ONNO) Schiff base ligands: synthesis, characterization, properties and biological activity

A series of metal complexes were synthesized from equimolar amounts of Schiff bases: 1,4-bis[3-(2-hydroxy-1-naphthaldimine)propyl]piperazine (bappnaf) and 1,8-bis[3-(2-hydroxy-1-naphthaldimine)-p-menthane (damnaf) with metal chlorides. All of synthesized compounds were characterized by elemental analyses, spectral (UV-vis, IR, (1)H-(13)C NMR, LC-MS) and thermal (TGA-DTA) methods, magnetic and conductance measurements. Schiff base complexes supposed in tetragonal geometry have the general formula [M(bappnaf or damnaf)]Cl.nH(2)O, where M=Cr(III), Co(III) and n=2, 3. But also Fe(III) complexes have octahedral geometry by the coordination of two water molecules and the formula is [Fe(bappnaf or damnaf)(H(2)O)(2)]Cl. The changes in the selected vibration bands in FT-IR indicate that Schiff bases behave as (ONNO) tetradentate ligands and coordinate to metal ions from two phenolic oxygen atoms and two azomethine nitrogen atoms. Conductance measurements suggest 1:1 electrolytic nature of the metal complexes. The synthesized compounds except bappnaf ligand have the antimicrobial activity against the bacteria: Escherichia coli (ATCC 11230), Yersinia enterocolitica (ATCC 1501), Bacillus magaterium (RSKK 5117), Bacillus subtilis (RSKK 244), Bacillus cereus (RSKK 863) and the fungi: Candida albicans (ATCC 10239). These results have been considerably interest in piperazine derivatives due to their significant applications in antimicrobial studies.     

Determination of antimony by using tungsten trap atomic absorption spectrometry

An electrically heated tungsten coil was used as a trap in the determination of antimony. The technique consists of three steps. Initially, SbH₃ is formed by hydride generation procedure; then the analyte species in vapor form are transported to W-coil trap heated at 370 °C. Following the preconcentration step, the trap is heated to 895 °C; analyte species are revolatilized and transported to the flame-heated quartz atom cell where atomization and the formation of signal take place. The experimental parameters were optimized both for trap and no-trap studies. The most important experimental parameters are concentrations of HCl and NaBH₄ solutions, H₂ and Ar gas flow rates, and collection and revolatilization temperatures of W-coil. Accuracy was tested using a certified reference material, waste water EU-L-1. Limit of detection for the system is 16 ng l^− 1 using a sample of 36 ml collected in 4.0 min. Enhancement factor in sensitivity was 17.     

Rheological behavior of PMN gels for solid freeform fabrication

Lead magnesium niobate (PMN) is a relaxor ferroelectric material and have widespread applications in the manufacture of multilayer electronic devices such as ceramic capacitors, actuators and transducers. The dielectric constant of this electrostrictive material is much higher than the well known ferroelectric barium titanate. However, aqueous processing of PMN is not investigated yet especially for the novel wet shaping fabrication. In this study, concentrated aqueous colloidal PMN gels have been designed to use in the robocasting process. Concentrated PMN suspensions were stabilized by polyacrylic acid and then gelation induced by changing the pH or ionic strength of the suspension or by addition of a cationic polyelectrolyte to the system. Through this procedure it was essential to understand the solid–liquid transition under shear to explore the feasibility of forming without excessive use of polymers. Therefore, rheological response of the samples having a gel network was investigated. Results showed that gelation induced by cationic polyethylene imine or by multivalent salts were successful methods in preparation of PMN gels. However, gelation induced by changing the pH of the suspension was challenging due to ion dissolution from PMN surface.     

An application of derivative and continuous wavelet transforms to the overlapping ratio spectra for the quantitative multiresolution of a ternary mixture of paracetamol, acetylsalicylic acid and caffeine in tablets

Quantitative multiresolution of tablets and ternary mixtures of paracetamol (PAR), acetylsalicylic acid (ASP) and caffeine (CAF) having strongly overlapping spectra was accomplished by two graphical transform methods as ratio spectra first derivative-zero crossing and ratio spectra-continuous wavelet transform-zero crossing (ratio spectra CWT-zero crossing) methods. In this study, ratio spectra derivative-zero crossing and ratio spectra CWT-zero crossing methods are based on the use of transformed signals of the ratio spectra and their calibration graphs were obtained by measuring the dA/dλ and CWT amplitudes of the ratio spectra corresponding to zero crossing points. For the comparison purpose, PLS calibration method was applied to predict the content of the same mixtures containing the subject active compounds. The obtained calibrations were tested by using the synthetic mixtures and standard addition technique and they applied to the simultaneous determination of PAR, ASP and CAF in commercial pharmaceutical preparation. The obtained results were statistically compared with each other as well as those obtained by HPLC method and they showed good agreement.