A Coupling Algorithm of Computational Fluid and Particle Dynamics (CFPD)

Computational fluid dynamics (CFD) and particle hydrodynamics (PHD) have been developed almost independently. CFD is classified into Eulerian and Lagrangian. The Eulerian approach observes fluid motion at specific locations in the space, and the Lagrangian approach looks at fluid motion where the observer follows an individual fluid parcel moving through space and time. In classical mechanics, particle dynamic simulations include molecular dynamics, Brownian dynamics, dissipated particle dynamics, Stokesian dynamics, and granular dynamics (often called discrete element method). Dissipative hydrodynamic method unifies these dynamic simulation algorithms and provides a general view of how to mimic particle motion in gas and liquid. Studies on an accurate and rigorous coupling of CFD and PHD are in literature still in a growing stage. This chapter shortly reviews the past development of CFD and PHD and proposes a general algorithm to couple the two dynamic simulations without losing theoretical rigor and numerical accuracy of the coupled simulation

Membrane Thermodynamics for Osmotic Phenomena

In this chapter, we briefly review the thermodynamic ensembles and associated energy functions using the seven thermodynamic variables. The energy E, the entropy S, and the system volume V are used to derive the temperature T and pressure P. The chemical potential μ is derived as the change of the system energy with respect to the number of matters N in the isobaric‐isothermal environment. A dilute solution is defined as a homogeneous mixture of solvent and inert solutes, where the total number and volume of solutes are much smaller than those of the solvent. Gibbs free energy of the dilute solution is used to rigorously derive the osmotic pressure by equilibrating chemical potentials of solutes and solvent. Nonequilibrium of the filtration systems is reviewed by introducing the irreversible thermodynamic model with Onsager’s reciprocal theorem. Direct applications of the irreversible thermodynamic model are currently limited due to the absence of the exact nonequilibrium statistical mechanics. We hope this chapter, containing a review of statistical mechanics, related to membrane separations and osmosis phenomena, helps researchers and especially graduate students, who seek an in‐depth understanding of membrane separation from the theoretical statistical physics as applied to chemical and environmental engineering

Dissipative Dynamics of Granular Materials

Granules are inelastic particles, undergoing dissipative and repulsive forces on contact. A granular state consists of a conglomeration of discrete, non-Brownian particles in a combined state of solid, liquid, and gas. Modern theoretical physics lacks general theories for the granular states. Simulation methods for particle dynamics include molecular dynamics (MD), Brownian dynamics (BD), Stokesian dynamics (SD), dissipative particle dynamics (DPD), and dissipative hydrodynamics (DHD). These conventional methods were originally designed to mimic the small-particle motion being less influenced by the gravitational force. There are three reasons that a conventional method cannot be directly applied to investigate granular dynamics. First, volume exclusion forces between colliding particles are often disregarded due to strong repulsive forces between negatively charged colloids and nanoparticles. Second, the gravitational force is not significant as applied to small, light particles, and therefore it is often discarded in force/torque calculations. Third, energy conservation in an equilibrium state is not guaranteed for the granular system due to the inelastic and frictional nature of the granular materials. In this light, this chapter discusses the fundamentals of particle dynamics methods, formulates a robust theoretical framework for granular dynamics, and discusses the current applications and future directions of computational granular dynamics

Vitamin or antioxidant intake (or serum level) and risk of cervical neoplasm: a meta‐analysis

Peer Reviewedhttp://deepblue.lib.umich.edu/bitstream/2027.42/86903/1/BJO_3032_sm_TableS1.pdfhttp://deepblue.lib.umich.edu/bitstream/2027.42/86903/2/j.1471-0528.2011.03032.x.pd

Inhibition of Inducible Nitric Oxide Synthase, Cycleooxygenase-2 and Lipid Peroxidation by Methanol Extract of Pericarpium Zanthoxyli

Purpose: To explore the antioxidant properties of the methanol extract of Pericarpium Zanthoxyli and its effect on inducible nitric oxide synthase (iNOS), cycleooxygenase-2 (COX-2) and lipopolysaccharides (LPS)-induced cell damage in macrophage cells.Methods: Anti-oxidant activities were tested by measuring free radical scavenging activity (DPPH, NO) and lipid peroxidation levels. The mechanism of anti-oxidant action of Pericarpium Zanthoxyli extractwas determined by Western blot analysis for iNOS and COX-2 expression in LPS-stimulated RAW 264.7 cells.Results: Pericarpium Zanthoxyli extract contained anti-oxidant   components including phenolics (2.456 mg/g), flavonoids (0.127 mg/g) and anthocyanins (20.34 mg/g). The extract exerted significant radicalscavenging activity in a dose-dependent manner. It also inhibited lipid peroxidation and exerted dramatic reducing power (28.9-fold compared with control at a concentration of 1 mg/ml). Production of iNOS induced by LPS was significantly (p < 0.05) inhibited by the extract, suggesting that the extract inhibits nitric oxide (NO) production by suppressing iNOS expression. Strikingly, COX-2 induced by LPS was also significantly (p < 0.05) inhibited by the extract.Conclusion: These results suggest that the methanol extract of Pericarpium Zanthoxyli exerts significant anti-oxidant activity via inhibiting free radicals, iNOS and lipid peroxidation as well as by inhibition of COX-2 enzyme.Keywords: Pericarpium Zanthoxyli, Nitric oxide, iNOS, COX-2, Lipid peroxidation, Antioxidan

Incipient plasticity and fully plastic contact behavior of copper coated with a graphene layer

Cu coated with a graphene layer increases the elastic modulus from 163.4 GPa to 176.7 GPa, as analyzed for the initial elastic loading during nanoindentation by the Hertzian contact theory. This is attributed to stiffening, due to the ultra-high elastic modulus of the graphene layer, and the compressive in-plane residual stresses in the Cu surface volume introduced by the lattice mismatch between graphene and Cu. The graphene layer induces incipient plasticity, manifested by pop-in events during nanoindentation loading, at shallower indentation depths. This could be due to the compressive in-plane residual stress in the Cu surface volume; however, this compressive stress does not significantly change the critical resolved shear stress for the incipient plasticity. Even in the fully plastic contact region, at an indentation depth of 100 nm, the graphene layer affects the stress distribution underneath the indenter, resulting in a lower pile-up height. When considering this reduced pile-up height, the graphene layer is found to enhance elastic modulus by 5%, whereas it has no effect on hardness

Expression of Heterologous OsDHAR Gene Improves Glutathione (GSH)-Dependent Antioxidant System and Maintenance of Cellular Redox Status in Synechococcus elongatus PCC 7942.

An excess of reactive oxygen species (ROS) can cause severe oxidative damage to cellular components in photosynthetic cells. Antioxidant systems, such as the glutathione (GSH) pools, regulate redox status in cells to guard against such damage. Dehydroascorbate reductase (DHAR, EC 1.8.5.1) catalyzes the glutathione-dependent reduction of oxidized ascorbate (dehydroascorbate) and contains a redox active site and glutathione binding-site. The DHAR gene is important in biological and abiotic stress responses involving reduction of the oxidative damage caused by ROS. In this study, transgenic Synechococcus elongatus PCC 7942 (TA) was constructed by cloning the Oryza sativa L. japonica DHAR (OsDHAR) gene controlled by an isopropyl β-D-1-thiogalactopyranoside (IPTG)-inducible promoter (Ptrc) into the cyanobacterium to study the functional activities of OsDHAR under oxidative stress caused by hydrogen peroxide exposure. OsDHAR expression increased the growth of S. elongatus PCC 7942 under oxidative stress by reducing the levels of hydroperoxides and malondialdehyde (MDA) and mitigating the loss of chlorophyll. DHAR and glutathione S-transferase activity were higher than in the wild-type S. elongatus PCC 7942 (WT). Additionally, overexpression of OsDHAR in S. elongatus PCC 7942 greatly increased the glutathione (GSH)/glutathione disulfide (GSSG) ratio in the presence or absence of hydrogen peroxide. These results strongly suggest that DHAR attenuates deleterious oxidative effects via the glutathione (GSH)-dependent antioxidant system in cyanobacterial cells. The expression of heterologous OsDHAR in S. elongatus PCC 7942 protected cells from oxidative damage through a GSH-dependent antioxidant system via GSH-dependent reactions at the redox active site and GSH binding site residues during oxidative stress

Active motions of Brownian particles in a generalized energy-depot model

We present a generalized energy-depot model in which the conversion rate of the internal energy into motion can be dependent on the position and the velocity of a particle. When the conversion rate is a general function of the velocity, the active particle exhibits diverse patterns of motion including a braking mechanism and a stepping motion. The phase trajectories of the motion are investigated in a systematic way. With a particular form of the conversion rate dependent on the position and velocity, the particle shows a spontaneous oscillation characterizing a negative stiffness. These types of active behaviors are compared with the similar phenomena observed in biology such as the stepping motion of molecular motors and the amplification in hearing mechanism. Hence, our model can provide a generic understanding of the active motion related to the energy conversion and also a new control mechanism for nano-robots. We also investigate the noise effect, especially on the stepping motion and observe the random walk-like behavior as expected.Comment: to appear in New J. Phy