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J De Roos, M Verce, M Aerts, P Vandamme, L De Vuyst
Few data have been published on the occurrence and functional role of acetic acid bacteria (AAB) in lambic beer production processes, mainly due to their difficult recovery and possibly unknown role. Therefore, a novel aseptic sampling method, spanning both the spatial and temporal distribution of AAB and their substrates and metabolites, was combined with a highly selective medium and matrix-assisted laser desorption time-of-flight mass spectrometry (MALDI TOF MS) as a high-throughput dereplication method followed by comparative gene sequencing for their isolation and identification, respectively...
January 19, 2018: Applied and Environmental Microbiology
Marina Russo, Chiara Fanali, Giusy Tripodo, Paola Dugo, Rosario Muleo, Laura Dugo, Laura De Gara, Luigi Mondello
The analysis of pomegranate phenolic compounds belonging to different classes in different fruit parts was performed by high-performance liquid chromatography coupled with photodiode array and mass spectrometry detection. Two different separation methods were optimized for the analysis of anthocyanins and hydrolyzable tannins along with phenolic acids and flavonoids. Two C18 columns, core-shell and fully porous particle stationary phases, were used. The parameters for separation of phenolic compounds were optimized considering chromatographic resolution and analysis time...
January 19, 2018: Analytical and Bioanalytical Chemistry
Tobias Fahleson, Jógvan Magnus Haugaard Olsen, Patrick Norman, Antonio Rizzo
QM/MM and QM/QM/MM protocols are applied to the ab initio study of the three linear birefringences Kerr, Cotton-Mouton, and Jones, as shown by acetonitrile in the gas and pure liquid phases. The relevant first-order properties as well as linear, quadratic, and cubic frequency-dependent response functions were computed using time-dependent Kohn-Sham density-functional theory with use of the standard CAM-B3LYP functional. In the liquid phase, a series of room temperature (293.15 K) molecular dynamics snapshots were selected, for which averaged values of the observables were obtained at an optical wavelength of 632...
January 19, 2018: Physical Chemistry Chemical Physics: PCCP
Shun Okushima, Toshihiro Kawakatsu
We perform a series of Monte Carlo simulations on an interface between a liquid crystal (LC) material in isotropic phase in its bulk and a surfactant membrane. These two objects are simulated using coarse-grained molecular models. We estimate physical properties of the membrane such as the interfacial tension and the bending rigidity, focusing on the anchoring effects of the membrane on the LC. According to our simulation results, when the strength of the homeotropic anchoring denoted by the anchoring parameter ξ is increased, the interfacial tension decreases and the bending rigidity first increases in ξ<ξ_{m}, and it then decreases in ξ_{m}<ξ...
November 2017: Physical Review. E
Paweł Karbowniczek, Agnieszka Chrzanowska
A two-dimensional Lennard-Jones system in a circular and rotating container has been studied by means of molecular dynamics technique. A nonequilibrium transition to the rotating stage has been detected in a delayed time since an instant switching of the frame rotation. This transition is attributed to the increase of the density at the wall because of the centrifugal force. At the same time the phase transition occurs, the inner system changes its configuration of the solid-state type into the liquid type...
November 2017: Physical Review. E
Biswarup Ash, J Chakrabarti, Amit Ghosal
We study the temperature dependence of static and dynamic responses of Coulomb interacting particles in two-dimensional confinements across the crossover from solid- to liquid-like behaviors. While static correlations that investigate the translational and bond orientational order in the confinements show the footprints of hexatic-like phase at low temperatures, dynamics of the particles slow down considerably in this phase, reminiscent of a supercooled liquid. Using density correlations, we probe long-lived heterogeneities arising from the interplay of the irregularity in the confinement and long-range Coulomb interactions...
October 2017: Physical Review. E
E J Rugeles, Sebastian Ujevic, S A Vitiello
Properties of helium atoms in the solid phase are investigated using the multiweight diffusion Monte Carlo method. Two different importance function transformations are used in two series of independent calculations. The kinetic energy is estimated for both the solid and liquid phases of ^{4}He. We estimate the melting and freezing densities, among other properties of interest. Our estimates are compared with experimental values. We discuss why walkers biased by two distinctly different guiding functions do not lead to noticeable changes in the reported results...
October 2017: Physical Review. E
K C Ng, T W H Sheu
It has been observed previously that the physical behaviors of Schmidt number (Sc) and Prandtl number (Pr) of an energy-conserving dissipative particle dynamics (eDPD) fluid can be reproduced by the temperature-dependent weight function appearing in the dissipative force term. In this paper, we proposed a simple and systematic method to develop the temperature-dependent weight function in order to better reproduce the physical fluid properties. The method was then used to study a variety of phase-change problems involving solidification...
October 2017: Physical Review. E
D I Zhukhovitskii, V N Naumkin, A I Khusnulgatin, V I Molotkov, A M Lipaev
Oscillation of particles in a dust crystal formed in a low-pressure radio-frequency gas discharge under microgravity conditions is studied. Analysis of experimental data obtained in our previous study shows that the oscillations are highly isotropic and nearly homogeneous in the bulk of a dust crystal; oscillations of the neighboring particles are significantly correlated. We demonstrate that the standard deviation of the particle radius vector along with the local particle number density fully define the coupling parameter of the particle subsystem...
October 2017: Physical Review. E
Max Yarmolinsky, Anatoly Kuklov
Critical point of liquid-gas (LG) transition does not conform with the paradigm of spontaneous symmetry breaking because there is no broken symmetry in both phases. We revisit the conjecture that this critical point belongs to the Ising class by performing large scale Monte Carlo simulations in two-dimensional free space in combination with the numerical flowgram method. Our main result is that the critical indices do agree with the Onsager values within the error of 1%-2%. This significantly improves the accuracy reported in the literature...
December 2017: Physical Review. E
Greta Babakhanova, Zeinab Parsouzi, Sathyanarayana Paladugu, Hao Wang, Yu A Nastishin, Sergij V Shiyanovskii, Samuel Sprunt, Oleg D Lavrentovich
We present a comprehensive set of measurements of optical, dielectric, diamagnetic, elastic, and viscous properties in the nematic (N) phase formed by a liquid crystalline dimer. The studied dimer, 1,7-bis-4-(4'-cyanobiphenyl) heptane (CB7CB), is composed of two rigid rodlike cyanobiphenyl segments connected by a flexible aliphatic link with seven methyl groups. CB7CB and other nematic dimers are of interest due to their tendency to adopt bent configurations and to form two states possessing a modulated nematic director structure, namely, the twist-bend nematic, N_{TB}, and the oblique helicoidal cholesteric, Ch_{OH}, which occurs when the achiral dimer is doped with a chiral additive and exposed to an external electric or magnetic field...
December 2017: Physical Review. E
Avanish Kumar, Chaitanya Narayanam, Rajesh Khanna, Sanjay Puri
We address in detail the problem of true morphological phase separation (MPS) in three-dimensional or (2+1)-dimensional unstable thin liquid films (>100nm) under the influence of gravity. The free-energy functionals of these films are asymmetric and show two points of common tangency, which facilitates the formation of two equilibrium phases. Three distinct patterns formed by relative preponderance of these phases are clearly identified in "true MPS". Asymmetricity induces two different pathways of pattern formation, viz...
December 2017: Physical Review. E
Cesare M Cejas, Jean-Christophe Castaing, Larry Hough, Christian Frétigny, Rémi Dreyfus
We characterize the water repartition within the partially saturated (two-phase) zone (PSZ) during evaporation from mixed wettable porous media by controlling the wettability of glass beads, their sizes, and as well the surrounding relative humidity. Here, capillary numbers are low and under these conditions, the percolating front is stabilized by gravity. Using experimental and numerical analyses, we find that the PSZ saturation decreases with the Bond number, where packing of smaller particles have higher saturation values than packing made of larger particles...
December 2017: Physical Review. E
Shimpei Saito, Yutaka Abe, Kazuya Koyama
A three-dimensional color-fluid lattice Boltzmann model for immiscible two-phase flows is developed in the framework of a three-dimensional 27-velocity (D3Q27) lattice. The collision operator comprises the D3Q27 versions of three suboperators: a multiple-relaxation-time (MRT) collision operator, a generalized Liu-Valocchi-Kang perturbation operator, and a Latva-Kokko-Rothman recoloring operator. A D3Q27 version of an enhanced equilibrium distribution function is also incorporated into this model to improve the Galilean invariance...
July 2017: Physical Review. E
B Dinesh, S Pushpavanam
The linear stability of layered two-phase Poiseuille flows through soft-gel-coated parallel walls is studied in this work. The focus is on determining the effect of the elastohydrodynamic coupling between the fluids and the soft-gel layers on the different instabilities observed in flows between parallel plates. The fluids are assumed Newtonian and incompressible, while the soft gels are modeled as linear viscoelastic solids. A long-wave asymptotic analysis is used to obtain an analytical expression for the growth rate of the disturbances...
July 2017: Physical Review. E
Mahmood Mohammadi-Shad, Taehun Lee
The main objective of this paper is to extend an isothermal incompressible two-phase lattice Boltzmann equation method to model liquid-vapor phase change problems using a sharp-interface energy solver. Two discrete particle distribution functions, one for the continuity equation and the other for the pressure evolution and momentum equations, are considered in the current model. The sharp-interface macroscopic internal energy equation is discretized with an isotropic finite difference method to find temperature distribution in the system...
July 2017: Physical Review. E
M Mortazavifar, M Oettel
A density functional of fundamental measure type for a lattice model of anisotropic particles with hard-core repulsions and effective attractions is derived in the spirit of the Asakura-Oosawa model. Through polymeric lattice particles of various size and shape, effective attractions of different strength and range between the colloids can be generated. The functional is applied to the determination of phase diagrams for sticky rods of length L in two dimensions, in three dimensions, and in a monolayer system on a neutral substrate...
September 2017: Physical Review. E
T Urbic
Monte Carlo simulations and Wertheim's thermodynamic perturbation theory (TPT) are used to predict the phase diagram and percolation curve for the simple two-dimensional Mercedes-Benz (MB) model of water. The MB model of water is quite popular for explaining water properties, but the phase diagram has not been reported till now. In the MB model, water molecules are modeled as two-dimensional Lennard-Jones disks, with three orientation-dependent hydrogen-bonding arms, arranged as in the MB logo. The liquid part of the phase space is explored using grand canonical Monte Carlo simulations and two versions of Wertheim's TPT for associative fluids, which have been used before to predict the properties of the simple MB model...
September 2017: Physical Review. E
Munekazu Ohno, Tomohiro Takaki, Yasushi Shibuta
A variational formulation of a quantitative phase-field model is presented for nonisothermal solidification in a multicomponent alloy with two-sided asymmetric diffusion. The essential ingredient of this formulation is that the diffusion fluxes for conserved variables in both the liquid and solid are separately derived from functional derivatives of the total entropy and then these fluxes are related to each other on the basis of the local equilibrium conditions. In the present formulation, the cross-coupling terms between the phase-field and conserved variables naturally arise in the phase-field equation and diffusion equations, one of which corresponds to the antitrapping current, the phenomenological correction term in early nonvariational models...
September 2017: Physical Review. E
Alexandr Malijevský, Andrew O Parry, Martin Pospíšil
We study the adsorption of a fluid in the grand canonical ensemble occurring at a planar heterogeneous wall which is decorated with a chemical stripe of width L. We suppose that the material of the stripe strongly preferentially adsorbs the liquid in contrast to the outer material which is only partially wet. This competition leads to the nucleation of a droplet of liquid on the stripe, the height h_{m} and shape of which (at bulk two-phase coexistence) has been predicted previously using mesoscopic interfacial Hamiltonian theory...
September 2017: Physical Review. E
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