Passive droplet trafficking at microfluidic junctions under geometric and flow asymmetries

When droplets enter a junction they sort to the channel with the highest flow rate at that instant. Transport is regulated by a discrete time-delayed feedback that results in a highly periodic behavior where specific patterns can continue to cycle indefinitely. Between these highly ordered regimes are chaotic structures where no pattern is evident. Here we develop a model that describes droplet sorting under various asymmetries: branch geometry (length, cross-section), droplet resistance and pressures. First, a model is developed based on the continuum assumption and then, with the assistance of numerical simulations, a discrete model is derived to predict the length and composition of the sorting pattern. Furthermore we derive all unique sequences that are possible for a given distribution and develop a preliminary estimation of why chaotic regimes form. The model is validated by comparing it to numerical simulations and results from microfluidic experiments in PDMS chips with good agreement.     

Spectroscopic (NMR, UV, FT-IR and FT-Raman) analysis and theoretical investigation of nicotinamide N-oxide with density functional theory

The spectroscopic properties of the nicotinamide N-oxide (abbreviated as NANO, C(6)H(6)N(2)O(2)) were examined by FT-IR, FT-Raman, NMR and UV techniques. FT-IR and FT-Raman spectra in solid state were observed in the region 4000-400 cm(-1) and 3500-50 cm(-1), respectively. The (1)H and (13)C NMR spectra were recorded in DMSO. The UV absorption spectrum of the compound that dissolved in water was recorded in the range of 200-800 nm. The structural and spectroscopic data of the molecule in the ground state were calculated by using Density Functional Theory (DFT) employing B3LYP methods with the 6-311++G(d,p) basis set. The geometry of the molecule was fully optimized, vibrational spectra were calculated and fundamental vibrations were assigned on the basis of the total energy distribution (TED) of the vibrational modes, calculated with scaled quantum mechanics (SQM) method and PQS program. The optimized structure of compound was interpreted and compared with the reported experimental values. The observed vibrational wavenumbers, absorption wavelengths and chemical shifts were compared with calculated values. As a result, the optimized geometry and calculated spectroscopic data show a good agreement with the experimental results.     

Characterization and pillaring of a Turkish bentonite (Resadiye)

The shifts of the SiOSi stretching and the SiOAl and SiOSi bending modes, as well as the free silica peak in the IR spectra and the strengthening of the XRD reflections due to the quartz and alpha-cristobalite components of the Al-pillared bentonites (Wyoming and Resadiye), are ascribed to the formation of new SiOAl groups of covalent character. The mass losses in the temperature range 150-700 degrees C correspond to the dehydration and dehydroxylation processes. The total mass losses of the Al-pillared bentonites (Wyoming and Resadiye) are close to each other at an OH/Al ratio of 2.2, but calcination from 400 to 600 degrees C causes the surface area of the latter composite to decrease by 13%.     

Synthesis, structural and optical properties of novel borylated Cu(II) and Co(II) metal complexes of 4-benzylaminobiphenylglyoxime

4-Benzylaminobiphenylglyoxime ligand and its Cu(II) and Co(II) complexes were prepared. -bridge containing 4-benzylaminobiphenylglyoxime complexes were obtained by replacing of the bridging protons of the dioxime complexes with BF₂ group. These compounds have been characterized by elemental analysis, spectroscopic (ICP-OES, infra-red) and magnetic susceptibility measurements. Thermal decomposition of the complexes is studied in nitrogen atmosphere. The final decomposition products are found to be the corresponding metal oxides. The optical constants such as optical conductivity, dielectric constant, refractive index were determined for the complexes. The analysis of the optical absorption data revealed that the band gap E_g was direct transitions. The optical dispersion parameters were determined according to Wemple and Didomenico method.     

Weak imposition of boundary conditions for the Navier–Stokes equations by a penalty method

We prove convergence of the finite element method for the Navier–Stokes equations in which the no‐slip condition and no‐penetration condition on the flow boundary are imposed via a penalty method. This approach has been previously studied for the Stokes problem by Liakos (Weak imposition of boundary conditions in the Stokes problem. Ph.D. Thesis, University of Pittsburgh, 1999). Since, in most realistic applications, inertial effects dominate, it is crucial to extend the validity of the method to the nonlinear Navier–Stokes case. This report includes the analysis of this extension, as well as numerical results validating their analytical counterparts. Specifically, we show that optimal order of convergence can be achieved if the computational boundary follows the real flow boundary exactly. Copyright © 2008 John Wiley & Sons, Ltd.     

Divergence for s-concave and log concave functions

We prove new entropy inequalities for log concave and s-concave functions that strengthen and generalize recently established reverse log Sobolev and Poincaré inequalities for such functions. This leads naturally to the concept of f-divergence and, in particular, relative entropy for s-concave and log concave functions. We establish their basic properties, among them the affine invariant valuation property. Applications are given in the theory of convex bodies.     

Synthesis,IR Spectra,Thermal Analysis and Crystal Structures of Bis(saccharinato)mercury(II) Complexes with 2–Aminomethylpyridine and 2–Aminoethylpyridine

Two bis(saccharinato) (sac) complexes of mercury(II) with 2–aminomethylpyridine (ampy) and 2–aminoethylpyridine (aepy) were synthesized and characterized by means of elemental analysis, FT–IR spectroscopy and thermal analysis and single crystal X–ray diffraction. trans–[Hg(sac)₂(ampy)₂] ( 1 ) crystallizes in the monoclinic space group P2₁/c [a = 10.8274(4), b = 16.4903(6), c = 7.7889(3) Å; β = 99.500(1)°] and [Hg(sac)₂(aepy)] ( 2 ) also crystallizes monoclinic in space group P2₁/n [a = 9.0423(4), b = 14.0594(6), c = 18.0146(8) Å; ß = 98.806(1)°]. Both 1 and 2 consist of neutral monomeric units. The mercury(II) ion in 1 lies on an inversion centre and exhibit distorted octahedral coordination by two sac anions and two ampy ligands, whereas the mercury(II) ion in 2 is tetrahedrally coordinated by an aepy and two sac ligands. The sac ligands in both complexes are N–coordinated, while the ampy and aepy ligands act as a bidentate ligand forming two symmetrically chelate rings around the mercury(II) ion.     

Bis­(saccharinato‐κN)zinc(II) com­plexes with N,N′‐bidentate 2‐amino­methyl­pyridine and 2‐amino­ethylpyridine

The structures of trans‐bis[2‐(amino­methyl)­pyridine‐κ²N,N′]­bis­(saccharinato‐κN)­zinc(II), [Zn(C₇H₄NO₃S)₂(C₆H₈N₂)₂], (I), and [2‐(amino­ethyl)­pyridine‐κ²N,N′]bis­(saccharinato‐κN)­zinc(II), [Zn(C₇H₄NO₃S)₂(C₇H₁₀N₂)], (II), exhibit octa‐ and tetrahedrally coordinated Zn^II atoms, respectively. The di­amine ligands behave as N,N′‐bidentate ligands, while saccharinate (sac) is coordinated through the N atom. In (I), the complex lies about an inversion centre with the Zn atom disordered and displaced by 0.256 (2) Å from a centre of symmetry towards a sac N atom. The crystal structure of (I) is stabilized by N—H⋯O hydrogen bonds and the crystal packing of (II) is determined by hydrogen bonding as well as weak π–π stacking interactions between the sac ligands.     

Model for Gas–Condensate Phase Equilibria for Estimating C7+ Critical Properties Using Genetic Algorithm

A reliable prediction of the phase behavior is necessary in determining the compositions of the gas and liquid phases at various pressures. These calculations require stepwise computational procedure using a cubic equation of state (EOS). Since the heavy components in the petroleum mixtures have the strongest effect on the characteristics of the fluids, critical properties must be estimated for the petroleum fractions making up heptanes-plus. A phase equilibria calculation of a gas–condensate system with Peng–Robinson equation of state was done by satisfying the condition of chemical equilibrium. A genetic algorithm was used to determine the optimum critical properties of heptanes-plus (C₇₊) fraction. The predictions of the model are compared with the experimental results of the constant volume depletion (CVD) test.     

Neuroactive Peptide Nanofibers for Regeneration of Spinal Cord after Injury

The highly complex nature of spinal cord injuries (SCIs) requires design of novel biomaterials that can stimulate cellular regeneration and functional recovery. Promising SCI treatments use biomaterial scaffolds, which provide bioactive cues to the cells in order to trigger neural regeneration in the spinal cord. In this work, the use of peptide nanofibers is demonstrated, presenting protein binding and cellular adhesion epitopes in a rat model of SCI. The self‐assembling peptide molecules are designed to form nanofibers, which display heparan sulfate mimetic and laminin mimetic epitopes to the cells in the spinal cord. These neuroactive nanofibers are found to support adhesion and viability of dorsal root ganglion neurons as well as neurite outgrowth in vitro and enhance tissue integrity after 6 weeks of injury in vivo. Treatment with the peptide nanofiber scaffolds also show significant behavioral improvement. These results demonstrate that it is possible to facilitate regeneration especially in the white matter of the spinal cord, which is usually damaged during the accidents using bioactive 3D nanostructures displaying high densities of laminin and heparan sulfate‐mimetic epitopes on their surfaces.