Finite element computations of viscoelastic two-phase flows using local projection stabilization

A three-field local projection stabilized (LPS) finite element method is developed for computations of a three-dimensional axisymmetric buoyancy driven liquid drop rising in a liquid column where one of the liquid is viscoelastic. The two-phase flow is described by the time-dependent incompressible Navier-Stokes equations, whereas the viscoelasticity is modeled by the Giesekus constitutive equation in a time-dependent domain. The arbitrary Lagrangian-Eulerian (ALE) formulation with finite elements is used to solve the governing equations in the time-dependent domain. Interface-resolved moving meshes in ALE allows to incorporate the interfacial tension force and jumps in the material parameters accurately. A one-level LPS based on an enriched approximation space and a discontinuous projection space is used to stabilize the numerical scheme. A comprehensive numerical investigation is performed for a Newtonian drop rising in a viscoelastic fluid column and a viscoelastic drop rising in a Newtonian fluid column. The influence of the viscosity ratio, Newtonian solvent ratio, Giesekus mobility factor, and the Eötvös number on the drop dynamics are analyzed. The numerical study shows that beyond a critical Capillary number, a Newtonian drop rising in a viscoelastic fluid column experiences an extended trailing edge with a cusp-like shape and also exhibits a negative wake phenomena. However, a viscoelastic drop rising in a Newtonian fluid column develops an indentation around the rear stagnation point with a dimpled shape.     

Effects of pressure rise rate on laminar flame speed under normal and engine-relevant conditions

Laminar flame speed (LFS) is one of the most important physicochemical properties of a combustible mixture. At normal and elevated temperatures and pressures, LFS can be measured using propagating spherical flames in a closed chamber. LFS is also used in certain turbulent premixed flame modelling for combustion in spark ignition engines. Inside the closed chamber or engine, transient pressure rise occurs during the premixed flame propagation. The effects of pressure rise rate (PRR) on LFS are examined numerically in this study. One-dimensional simulations are conducted for spherical flame propagation in a closed chamber. Detailed chemistry and transport are considered. Different values of PRR at the same temperature and pressure are achieved through changing the spherical chamber size. It is found that the effect of PRR on LFS is negligible under the normal and engine-relevant conditions considered in this study. This observation is then explained through the comparison between the unsteady and convection terms in the energy equation for a premixed flame.     

Carbazole-thiosemicarbazone-Hg(II) ensemble-based colorimetric and fluorescence turn-on toward iodide in aqueous media and its application in live cell imaging

A carbazole-thiosemicarbazone-Hg(2+) ensemble-based fluorogenic probe for detection of iodide in aqueous media is reported. The first fluorescent sensor for iodide anions was constructed based on the displacement approach. An 'ensemble' is able to selectively sense iodide over other anions followed by the release of 9-(butane-1-yl)-9H-carbazole-3,6-dihydrazinecarbothioamide to give a remarkable change of fluorescence turn-on signal at pH 7.4 under aqueous media. The practical use of an 'ensemble' was demonstrated by its application to the detection of iodide in the living cells.     

Covalent immobilization of protein onto a functionalized hydrogenated diamond-like carbon substrate

Hydrogenated diamond-like carbon (HDLC) has an atomically smooth surface that can be deposited on high-surface area substrata and functionalized with reactive chemical groups, providing an ideal substrate for protein immobilization. A synthetic sequence is described involving deposition and hydrogenation of DLC followed by chemical functionalization. These functional groups are reacted with amines on proteins causing covalent immobilization on contact. Raman measurements confirm the presence of these surface functional groups, and Fourier transform infrared spectroscopy (FTIR) confirms covalent protein immobilization. Atomic force microscopy (AFM) of immobilized proteins is reproducible because proteins do not move as a result of interactions with the AFM probe-tip, thus providing an advantage over mica substrata typically used in AFM studies of protein. HDLC offers many of the same technical advantages as oxidized graphene but also allows for coating large surface areas of biomaterials relevant to the fabrication of medical/biosensor devices.     

A comparison of linear optical properties and redox properties in chalcogenopyrylium dyes bearing ortho-substituted aryl substituents and tert-butyl substituents

A series of thiapyrylium pentamethine dyes (4 and 12-15) bearing 2,2'-di-tert-butyl-6,6'-diphenyl, 2,2'-di-tert-butyl-6,6'-bis(2,6-dimethylphenyl), 2,2'-di-tert-butyl-6,6'-bis(2-methylphenyl), 2,2',6,6'-tetrakis(2,6-dimethylphenyl), and 2,2',6,6'-tetrakis(2-methylphenyl) substituents, respectively, were prepared and their linear optical properties and electrochemical redox properties were measured and compared to thiapyrylium pentamethine dyes 3 and 5. The tert-butyl and 2,6-dimethylphenyl substituents give nearly identical chromophores with respect to values of lambda(max), molar extinction coefficients (epsilon), bandwidths at half-height (nu(1/2)), and lack of absorption in the visible spectrum. The 2-methylphenyl substituent imparts linear optical properties that are intermediate between those of the tert-butyl and phenyl substituents. The 2,6-dimethylphenyl and 2-methylphenyl substituents impart greater oxidative stability based on anodic shifts in oxidation potential.     

Radio frequency plasma enhanced chemical vapor based ZnO thin film deposition on glass substrate: A novel approach towards antibacterial agent

In the present study, the structural, optical and antibacterial properties of ZnO thin films are reported. ZnO thin films are deposited on borosilicate glass substrates by radio frequency plasma enhanced chemical vapor deposition (PECVD) using oxygen as process gas. The crystallinity of the deposited films is improved upon annealing at 450 °C in air for 1.5 h and the polycrystalline nature of the films is further confirmed by selected area electron diffraction. The particle size of the annealed film (thickness 476 nm) is found to be ∼34 nm from the transmission electron microscopic observation. Energy dispersive X-ray spectrum indicates the stoichiometric deposition of ZnO films. The films are highly transparent (transmittance >85%) in the visible region of electromagnetic spectrum. The films exhibit excellent antibacterial effect towards the growth of Escherichia coli and Pseudomonas aeruginosa.     

Separability,gauge invariance and nonsuperluminality in direct interaction dynamics

We discuss the classical mechanics of relativistic systems with direct interaction. We show that various desiderata can all be accommodated in the single time approach by restricting the observables to the gauge invariant variables. We show how such observables can be constructed in general. We explicitly construct position observables in a general system and show that they lead to separable, invariant world lines. Nonsuperluminality is explicitly demonstrated for two body systems interacting via central forces of semibounded magnitude provided they ensure timelike canonical momenta. For two particles, our results reproduce the usual solution in covariant equal-time gauge.     

Optical phase conjugation in nonresonant and saturable absorptive/resonant systems

Recent results obtained at Alabama A&M University on optical phase conjugation in electrically unpoled BaTiO₃, BANANA and SBN crystals are presented. The decay curves of the transient gratings and phase conjugation in these crystals indicate the involvement of more than one exponential process, possible reasons for which are indicated. Self induced gratings have been studied in electrically unpoled SBN crystal using a He−Ne Laser. The oscillations in a ring passive phase conjugator (RPPC) and in a unidirectional ring resonator using an electrically poled BaTiO₃ crystal have, been found to be bistable. It is also found that bistable oscillations are possible in a geometry in which the crystal is used simultaneously in a RPPC and as a linear passive phase conjugate (LPCC) mirror. The auxiliary oscillations pumped by the RPPC are bistable with the oscillations in LPCC. A brief review of the recent literature on phase conjugation in saturable absorptive/resonant systems along with the experiments planned to be undertaken by the authors on such systems are presented.     

Protein crystallography beamline (PX‐BL21) at Indus‐2 synchrotron

The protein crystallography beamline (PX‐BL21), installed at the 1.5 T bending‐magnet port at the Indian synchrotron (Indus‐2), is now available to users. The beamline can be used for X‐ray diffraction measurements on a single crystal of macromolecules such as proteins, nucleic acids and their complexes. PX‐BL21 has a working energy range of 5–20 keV for accessing the absorption edges of heavy elements commonly used for phasing. A double‐crystal monochromator [Si(111) and Si(220)] and a pair of rhodium‐coated X‐ray mirrors are used for beam monochromatization and manipulation, respectively. This beamline is equipped with a single‐axis goniometer, Rayonix MX225 CCD detector, fluorescence detector, cryogenic sample cooler and automated sample changer. Additional user facilities include a workstation for on‐site data processing and a biochemistry laboratory for sample preparation. In this article the beamline, other facilities and some recent scientific results are briefly described.     

NO-NSAIDs. Part 3: nitric oxide-releasing prodrugs of non-steroidal anti-inflammatory drugs

In continuation of our efforts to discover novel nitric oxide-releasing non-steroidal anti-inflammatory drugs (NO-NSAIDs) as potentially "Safe NSAIDs," we report herein the design, synthesis and evaluation of 21 new NO-NSAIDs of commonly used NSAIDs such as aspirin, diclofenac, naproxen, flurbiprofen, ketoprofen, sulindac, ibuprofen and indomethacin. These prodrugs have NO-releasing disulfide linker attached to a parent NSAID via linkages such as an ester (compounds 9-16), a double ester (compounds 17-24), an imide (compounds 25-30) or an amide (compounds 31-33). Among these NO-NSAIDs, the ester-containing NO-aspirin (9), NO-diclofenac (10), NO-naproxen (11), and the imide-containing NO-aspirin (25), NO-flurbiprofen (27) and NO-ketoprofen (28) have shown promising oral absorption, anti-inflammatory activity and NO-releasing property, and also protected rats from NSAID-induced gastric damage. NO-aspirin compound 25, on further co-evaluation with aspirin at equimolar doses, exhibited comparable dose-dependent pharmacokinetics, inhibition of gastric mucosal prostaglandin E(2) (PGE(2)) synthesis and analgesic properties to those of aspirin, but retained its gastric-sparing properties even after doubling its oral dose. These promising NO-NSAIDs could therefore represent a new class of potentially "Safe NSAIDs" for the treatment of arthritic pain and inflammation.