Application of a line implicit method to fully coupled system of equations for turbulent flow problems

For unstructured finite volume methods, we present a line implicit Runge–Kutta method applied as smoother in an agglomerated multigrid algorithm to significantly improve the reliability and convergence rate to approximate steady-state solutions of the Reynolds-averaged Navier–Stokes equations. To describe turbulence, we consider a one-equation Spalart–Allmaras turbulence model. The line implicit Runge–Kutta method extends a basic explicit Runge–Kutta method by a preconditioner given by an approximate derivative of the residual function. The approximate derivative is only constructed along predetermined lines which resolve anisotropies in the given grid. Therefore, the method is a canonical generalisation of point implicit methods. Numerical examples demonstrate the improvements of the line implicit Runge–Kutta when compared with explicit Runge–Kutta methods accelerated with local time stepping.     

Synthesis of polydithiourethanes and their thermal,optical, and mechanical properties originated from monomers structure

Polyaddition of various diisothiocyanates and dithiols was achieved with triethylamine in dimethylformamide at 25 °C for 12 h under nitrogen, and then the corresponding polydithiourethanes (PDTUs) were obtained with high yield and molecular weight without depending on the monomer structures, although the dithiol monomer of the low nucleophilicity was unsuitable for polyaddition in this system. The chemical and physical properties of the obtained PDTUs such as solvent solubility, glass transition temperature, thermal stability, transparency, refractive index, and tensile strength, were analyzed in detail by gel permeation chromatography, nuclear magnetic resonance, Fourier transform infrared–attenuated total reflection, ultraviolet–visible, differential scanning calorimetry, thermogravimetric analysis, and tensile testing measurements. These results proved that PDTUs and their cast films having the aliphatic diisothiocyanate and dithiol moieties exhibited excellent chemical and physical properties compared to that of the aromatic PDTUs. © 2018 Wiley Periodicals, Inc. J. Polym. Sci., Part A: Polym. Chem. 2018 , 56, 2255–2262     

Synthesis and nanoimprinting of high refractive index and highly transparent polythioethers based on thiol-ene click chemistry

This work demonstrates the UV nanoimprinting lithography (UV-NIL) of high refractive index and highly transparent polythioethers based on thiol-ene click chemistry. Herein, 9,9-bis(3-mercaptopropylphenylether)fluorene (BMPF) is designed as a new thiol monomer with a high refractive index, high transparency, and good processability for UV-NIL. Colorless polythioethers are synthesized from BMPF and ene monomers under mild thiol-ene click reaction conditions. Excellent transmittance (96%) of 400 nm light is observed in all the polymer films and high refractive index values of 1.5972–1.6382 are attained. UV-NIL using thiol-ene photopolymerization affords polymer nanoimprinting patterns with various features on the order of 100–500 nm without any fractures. To the best of our knowledge, this is the first report on UV-NIL of high refractive index and highly transparent polymers. Through proper monomer and polymer design, novel polythioethers with suitable glass transition temperature (T _g) values are developed with high refractive index, high transparency, and good UV-NIL processability. Furthermore, UV-NIL based on thiol-ene click chemistry is accomplished at the nanoscale. © 2018 Wiley Periodicals, Inc. J. Polym. Sci., Part A: Polym. Chem. 2018 , 56, 2175–2182     

Convergence issues in using high‐resolution schemes and lower–upper symmetric Gauss–Seidel method for steady shock‐induced combustion problems

This paper reports numerical convergence study for simulations of steady shock‐induced combustion problems with high‐resolution shock‐capturing schemes. Five typical schemes are used: the Roe flux‐based monotone upstream‐centered scheme for conservation laws (MUSCL) and weighted essentially non‐oscillatory (WENO) schemes, the Lax–Friedrichs splitting‐based non‐oscillatory no‐free parameter dissipative (NND) and WENO schemes, and the Harten–Yee upwind total variation diminishing (TVD) scheme. These schemes are implemented with the finite volume discretization on structured quadrilateral meshes in dimension‐by‐dimension way and the lower–upper symmetric Gauss–Seidel (LU–SGS) relaxation method for solving the axisymmetric multispecies reactive Navier–Stokes equations. Comparison of iterative convergence between different schemes has been made using supersonic combustion flows around a spherical projectile with Mach numbers M = 3.55 and 6.46 and a ram accelerator with M = 6.7. These test cases were regarded as steady combustion problems in literature. Calculations on gradually refined meshes show that the second‐order NND, MUSCL, and TVD schemes can converge well to steady states from coarse through fine meshes for M = 3.55 case in which shock and combustion fronts are separate, whereas the (nominally) fifth‐order WENO schemes can only converge to some residual level. More interestingly, the numerical results show that all the schemes do not converge to steady‐state solutions for M = 6.46 in the spherical projectile and M = 6.7 in the ram accelerator cases on fine meshes although they all converge on coarser meshes or on fine meshes without chemical reactions. The result is based on the particular preconditioner of LU–SGS scheme. Possible reasons for the nonconvergence in reactive flow simulation are discussed.Copyright © 2012 John Wiley & Sons, Ltd.     

Ultra‐high pressure LC for astaxanthin determination in shrimp by‐products and active food packaging

Nowadays, there is increasing interest in natural antioxidants from food by‐products. Astaxanthin is a potent antioxidant and one of the major carotenoids in crustaceans and salmonids. An ultra‐high pressure liquid chromatographic method was developed and validated for the determination of astaxanthin in shrimp by‐products, and its migration from new packaging materials to food simulants was also studied. The method uses an UPLC® BEH guard‐column (2.1 × 5 mm, 1.7 µm particle size) and an UPLC® BEH analytical column (2.1 × 50 mm, 1.7 µm particle size). Chromatographic separation was achieved using a programmed gradient mobile phase consisting of (A) acetonitrile–methanol (containing 0.05 m ammonium acetate)–dichloromethane (75:20:5, v/v/v) and (B) ultrapure water. This method was evaluated with respect to validation parameters such as linearity, precision, limit of detection, limit of quantification and recovery. Low‐density polyethylene films were prepared with different amounts of the lipid fraction of fermented shrimp waste by extrusion, and migration was evaluated into food simulants (isooctane and ethanol 95%, v/v). Migration was not detected under the tested conditions. Copyright © 2012 John Wiley & Sons, Ltd.     

High‐performance liquid chromatographic enantioseparation of (RS)‐bupropion using isothiocyanate‐based chiral derivatizing reagents

A high‐performance liquid chromatographic (HPLC) method for enantioseparation of bupropion was developed using two isothiocyanate‐based chiral derivatizing reagents, (S)‐1‐(1‐naphthyl) ethyl isothiocyanate, (S)‐NEIT, and (R)‐α‐methyl benzyl isothiocyanate, (R)‐MBIT. The diastereomers synthesized with (S)‐NEIT were enantioseparated by reversed‐phase HPLC using gradient elution with mobile phase containing water and acetonitrile, whereas diastereomers synthesized with (R)‐MBIT were enantioseparated using triethyl amine phosphate buffer and methanol. Derivatization conditions were optimized and the method was validated for accuracy, precision and limit of detection. The limit of detection was found to be 0.040–0.043 µg/mL for each of the diastereomers prepared with (S)‐NEIT. Copyright © 2013 John Wiley & Sons, Ltd.     

Quantitative determination of sodium stearyl fumarate in a tablet formulation from continuous manufacturing using a high-pH reversed-phase HPLC method

This study demonstrates the first use of a reversed-phase (RP) high-performance liquid chromatography method with a high-pH buffer for the analysis of sodium stearyl fumarate (SSF) from a tablet formulation. After examining the retention time and peak shape using various buffer concentrations, buffer pH, and RP stationary phases, an optimized method was established using the XBridge® BEH C18 at high pH. This column was further evaluated for method specificity, accuracy, precision, linearity, stability, and sensitivity. Finally, the method was successfully used as a convenient and robust analytical procedure to accurately quantitate SSF in stratified tablets from a continuous manufacturing process to confirm the excipient uniformity throughout the process.     

Interference of Transformer oil Matrices to the Internal Standards on PCB Quantification

Abstract

Polychlorinated biphenyls (PCBs) are toxic, perssstent, global environmental contaminants which were formulated as complex mixtures of congeners. Many methods have been developed in the past to analyze PCB in transformer oil samples for regulatory purposes. The most important consideration in the cleanup procedure is the ability to remove the oil from the sample matrix, since trace amount of oil will interfere with the subsequent GC-MS analysis. Electron capture detection (ECD) has been the most common method for gas chromatographic analysis of PCBs because of its high sensitivity toward halogenated compounds. ECD can also respond to some non-PCB compound resulting in biased concentrations of PCB. In this work, a two-stage cleanup method, using DMSO liquid/liquid extraction and HPLC column chromatography. has been applied to two types of transformer oil. Five internal standards have been selected to show their performance in the presence of different oil matrices. The comparison of the PCB quantification at different conditions for GC-MS and GC-ECD will be demonstrated.     

Octapeptide-Specific and Sensitive Assay for Angiotensin II in Plasma

Abstract

Angiotensin-(1–8)octapeptide (angiotensin II) is the active principle of the reninangiotensin system. Crossreaction of angiotensin II-antisera with inactive precursors and metabolic fragments prevented the specific quantitation of this hormone in biological fluids. Peptide-extraction on bonded-phase silica followed by peptide-separation using isocratic reverse-phase high performance liquid chromatography and subsequent radioimmunoassay rendered possible the octapeptide-specific measurement of angiotensin II in 2 ml plasma with a detection limit of 0.4fmol/ml. The coefficient of variation for intra-assay precision was 0.06 and for inter-assay precision 0.13. ¹²⁵Iangiotensin II was recovered from plasma by solid-phase extraction to 99±2% (mean ± S.D.). The overall recovery of 5, 10 and 20 fmol unlabeled angiotensin II added to plasma was 80±10%. Plasma concentrations in supine normal humans averaged 4.1 ± 1.6 fmol/ml and were suppressed below the detection limit by angiotensin I converting enzyme inhibition.