Biomedical subjects

Jiwen Liu

Publications and source records attributed to Jiwen Liu.

9 recordsLinked to original sources

PubMed2006

Simulation of phase transitions in highly asymmetric fluid mixtures.

We present a novel method for the accurate numerical determination of the phase behavior of fluid mixtures having large particle-size asymmetries. By incorporating the recently developed geometric cluster algorithm within a restricted Gibbs ensemble, we are able to probe directly the density and concentration fluctuations that drive phase transitions, but that are inaccessible to conventional simulation algorithms. We develop a finite-size scaling theory that relates these density fluctuations to those of the grand-canonical ensemble, thereby enabling accurate location of critical points and coexistence curves of multicomponent fluids. Several illustrative examples are presented.

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PubMed2005

Discovery and optimization of a novel series of liver X receptor-alpha agonists.

A novel series of hexafluorocarbinols were discovered as potent activators of the liver X receptor-alpha using a fluorescence polarization assay. Structure-activity relationship study led to the identification of compounds that are more potent agonists than the endogenous ligand, 24(S), 25-epoxycholesterol, with similar efficacy. Several compounds, including T0901317, were shown to have desirable pharmacokinetic profiles suitable for in vivo studies.

Administration, Oral↗

PubMed2005

Colloidal stabilization via nanoparticle halo formation.

We present a detailed numerical study of effective interactions between micrometer-sized silica spheres, induced by highly charged zirconia nanoparticles. It is demonstrated that the effective interactions are consistent with a recently discovered mechanism for colloidal stabilization. In accordance with the experimental observations, small nanoparticle concentrations induce an effective repulsion that counteracts the intrinsic van der Waals attraction between the colloids and thus stabilizes the suspension. At higher nanoparticle concentrations an attractive potential is recovered, resulting in reentrant gelation. Monte Carlo simulations of this highly size-asymmetric mixture are made possible by means of a geometric cluster Monte Carlo algorithm. A comparison is made to results obtained from the Ornstein-Zernike equations with the hypernetted-chain closure.

Journal Article↗

PubMed2005

Interparticle interactions and direct imaging of colloidal phases assembled from microsphere-nanoparticle mixtures.

We investigate the interparticle interactions, phase behavior, and structure of microsphere-nanoparticle mixtures that possess high size and charge asymmetry. We employ a novel Monte Carlo simulation scheme to calculate the effective microsphere interactions in suspension, yielding new insight into the origin of the experimentally observed behavior. The initial settling velocity, final sediment density, and three-dimensional structure of colloidal phases assembled from these binary mixtures via gravitational settling of silica microspheres in water and index-matched solutions exhibit a strong compositional dependence. Confocal laser scanning microscopy is used to directly image and quantify their structural evolution during assembly. Below a lower critical nanoparticle volume fraction (phi(nano) < phi(L,C)), the intrinsic van der Waals attraction between microspheres leads to the formation of colloidal gels. These gels exhibit enhanced consolidation as phi(nano) approaches phi(L,C). When phi(nano) exceeds phi(L,C), an effective repulsion arises between microspheres due to the formation of a dynamic nanoparticle halo around the colloids. From this stable fluid phase, the microspheres settle into a crystalline array. Finally, above an upper critical nanoparticle volume fraction (phi(nano) > phi(U,C)), colloidal gels form whose structure becomes more open with increasing nanoparticle concentration due to the emergence of an effective microsphere attraction, whose magnitude exhibits a superlinear dependence on phi(nano).

Journal Article↗

PubMed2005

Temperature and flow rate of NH3 effects on nitrogen content and doping environments of carbon nanotubes grown by injection CVD method.

Large-scale and vertically aligned nitrogen-doped carbon nanotubes were synthesized by pyrolysis of pyridine with ferrocene as the catalysts under either pure NH3 or a mixture of NH3 and argon atmosphere using injection chemical vapor deposition method. Nitrogen content ranges from 4.8 at. % to 8.8 at. % and changes as a function of growth temperature and the flow rate of NH3. NH3 not only increases the nitrogen content of carbon nanotubes but also increases the proportion of pyridine-like N doping in the carbon nanotubes. It suggests that nitrogen concentration and nitrogen doping environments of carbon nanotubes could be controlled by changing the growth temperature or flow rate of NH3.

Journal Article↗

PubMed2005

Generalized geometric cluster algorithm for fluid simulation.

We present a detailed description of the generalized geometric cluster algorithm for the efficient simulation of continuum fluids. The connection with well-known cluster algorithms for lattice spin models is discussed, and an explicit full cluster decomposition is derived for a particle configuration in a fluid. We investigate a number of basic properties of the geometric cluster algorithm, including the dependence of the cluster-size distribution on density and temperature. Practical aspects of its implementation and possible extensions are discussed. The capabilities and efficiency of our approach are illustrated by means of two example studies.

Journal Article↗

PubMed2004

Stabilization of colloidal suspensions by means of highly charged nanoparticles.

We employ a novel Monte Carlo simulation scheme to elucidate the stabilization of neutral colloidal microspheres by means of highly charged nanoparticles [Proc. Natl. Acad. Sci. U.S.A. 98, 8950 (2001))]]. In accordance with the experimental observations, we find that small nanoparticle concentrations induce an effective repulsion that prevents gelation caused by the intrinsic van der Waals attraction between colloids. Higher nanoparticle concentrations induce an attractive potential which is, however, qualitatively different from the regular depletion attraction. We also show how colloid-nanoparticle size asymmetry and nanoparticle charge can be used to manipulate the effective interactions.

Journal Article↗

PubMed2004

Rejection-free geometric cluster algorithm for complex fluids.

We present a novel, generally applicable Monte Carlo algorithm for the simulation of fluid systems. Geometric transformations are used to identify clusters of particles in such a manner that every cluster move is accepted, irrespective of the nature of the pair interactions. The rejection-free and nonlocal nature of the algorithm make it particularly suitable for the efficient simulation of complex fluids with components of widely varying size, such as colloidal mixtures. Compared to conventional simulation algorithms, typical efficiency improvements amount to several orders of magnitude.

Journal Article↗

PubMed2002

[Study on the relationship between occupational stress and psychological health state among oil workers].

OBJECTIVE: To study the relationship between occupational stress and psychological health state among oil workers. METHODS: 1,230 oil workers in 122 work types of oil industry were selected and written occupational stress questionary(OSQ) and symptom check list (SCL-90). RESULTS: Petroleum workers' psychological health states were poor with increasing occupational stress degree. The scores in physical symptoms(1.87 +/- 0.80, 1.72 +/- 0.70), depression(1.74 +/- 0.76, 1.62 +/- 0.67), horror(1.48 +/- 0.65, 1.39 +/- 0.55) in the high and medium stress group were obviously higher than those in low stress group(1.55 +/- 0.61, 1.43 +/- 0.54, 1.28 +/- 0.46, respectively, P < 0.05). The score of mood state in the high and medium stress group was obviously higher than that in low stress group(P < 0.05). Psychological health states and mood state in the petroleum workers with short service length are significantly poorer than that with long service length(P < 0.01). CONCLUSION: Occupational stress should affect psychological health state of petroleum workers.

Affect↗