Biomedical subjects

S K Lai

Publications and source records attributed to S K Lai.

17 recordsLinked to original sources

PubMed2006

Structures of bimetallic clusters.

We report an optimization algorithm for studying bimetallic nanoclusters. The algorithm combines two state-of-the-art methods, the genetic algorithm and the basin hopping approach, widely employed in the literature for predicting structures of pure metallic and nonmetallic clusters. To critically test the present algorithm and its use in determining the lowest-energy structures of bimetallic nanoclusters, we apply it to study the bimetallic clusters Cu(n)Au(38-n) (0< or =n< or =38). It is predicted that the Au atoms, being larger in size than the Cu atoms, prefer to occupy surface sites showing thus the segregating behavior. As the atom fraction of Cu increases, the bimetallic cluster Cu(n)Au(38-n), as a whole, first takes on an amorphous structure and is followed by dramatic changes in structure with the Cu atoms revealing hexagonal, then assuming pentagonal, and finally shifting to octahedral symmetry in the Cu-rich range.

Journal Article↗

PubMed2005

Asynchronous multicanonical basin hopping method and its application to cobalt nanoclusters.

The multicanonical basin hopping (MUBH) method, which uses a multicanonical weight in the basin hopping (BH) Monte Carlo method, was found to be very efficient for global optimization of large-scale systems such as Lennard-Jones clusters containing more than 150 atoms. We have implemented an asynchronous parallel version of the MUBH method using the message passing interface (MPI) to take advantage of the full usage of multiprocessors in either a homogeneous or heterogeneous computational environment. Based on the intrinsic properties of the Monte Carlo method, this MPI implementation used the task parallelism to minimize interthread data communication. For a Co nanocluster consisting of N atoms, we have applied the asynchronous multicanonical basin hopping (AMUBH) method (for 181 < N < or = 200), together with BH (for 2 < or = N < 150) and MUBH (for 150 < or = N < or = 180), to search for the molecular configuration of the global energy minimum. AMUBH becomes the only practical computational scheme for locating the energy minimum within realistic computational time for a relatively large cluster.

Journal Article↗

PubMed2005

Theoretical studies of the early stage coagulation kinetics for a charged colloidal dispersion.

We study the early stage coagulation kinetics for a charged colloidal dispersion which is here modeled by an effective two-body colloid-colloid potential. The colloidal system was physically prepared by choosing sets of colloidal parameters varying in particular the Hamaker constant and the particle's size. The kinetics of coagulation process was driven by the addition of an indifferent electrolyte and assumed to proceed in two quasi-steady steps. In the first step, colloidal particles are destabilized by the presence of a second potential minimum to diffuse from a bulk-stabilized liquid phase to a flocculated phase. In the second step, we assume that different entities are found in the second potential minimum. The entities comprise secondary dimers, secondary dimers undergoing redispersion, and monomers still in singlet states. If, under favorable condition, this kind of interaction-driven diffusive motion continues, a fraction of the secondary dimers will be induced to undergo primary dimers formation in the first deep minimum. Whether or not the latter process occurs is determined either energetically by the potential barrier falling below a prescribed value, say of 15k(B)T, or/and the second potential minimum becoming negligibly small (with a magnitude coagulation transition and would throw a fresh light on the use of both the energy and the kinetic criteria for understanding the colloidal stability such as those observed in the liquid-liquid coexistence.

Journal Article↗

PubMed2004

Domains of phase separation in a charged colloidal dispersion driven by electrolytes.

We put forth the idea of treating coexisting phases as a composite system and express its free energy as the average of its constitutent free energies weighted by their respective volume proportions. As a result, the theoretical study of charged colloidal phase separation in the presence of electrolytes reduces to optimizing solely the entities pertaining to colloids and small ions. As concrete illustrations, we demarcated the boundaries of coexisting phases for the simplest colloidal dispersion driven by salts at moderate to high concentrations and compared the results with those obtained in the usual manner to numerically show the robust efficiency of the present theory. Also, for a charged colloidal dispersion at very low ionic strength, we crosshatched both the homogeneous one phase and coexisting phases, and used the domains of coexisting phases to interpret an anomalous "transition" of phase diagrams exhibited in dilute colloidal dispersions induced by salts on dilution.

Journal Article↗

PubMed2004

Specific heat and Lindemann-like parameter of metallic clusters: mono- and polyvalent metals.

The Brownian-type molecular dynamics simulation is revisited and applied to study the thermal and geometric properties of four mono- and two polyvalent metallic clusters. For the thermal property, we report the specific heat at constant volume CV and study the solid-liquid-like transition by scrutinizing its characteristic. For the geometric property, we calculate the root mean square relative bond-length fluctuation delta as a function of increasing temperature. The thermal change in delta reflects the movement of atoms and hence is a relevant parameter in understanding the phase transition in clusters. The simulated results for the CV of alkali and aluminum clusters whose ground state structures exhibit icosahedral symmetry generally show one phase transition. In contrast, the tetravalent lead is quite often seen to exhibit two phase transitions, a premelting process followed by a progressive melting. In connection with the premelting scenario, it is found here that those (magic number) clusters identified to be of lesser stability (among other stable ones) according to the second energy difference are clusters showing a greater possibility of undergoing premelting process. This energy criterion applies to aluminum clusters nAl=28 and 38. To delve further into the thermal behavior of clusters, we have analyzed also the thermal variation of deltaT and attempted to correlate it with CV(T). It turns out that the premelting (if exist) and melting temperatures of the smaller size clusters (n less, similar 50) extracted from CV do not always agree quantitatively with that deduced from delta.

Journal Article↗

PubMed2004

Anomalous diffusivity and electric conductivity for low concentration electrolytes in nanopores.

We apply equilibrium and nonequilibrium molecular dynamics simulations to study the dynamic properties of electrolytes in nanopores. The realistic primitive model and the restrictive primitive model widely used in the statistical mechanics of liquid-state theory are applied to model the electrolytes. The electrolytic ions are immersed in water, treated in this work as either a dielectric continuum ignoring the size of solvent molecules or a macroscopic dielectric continuum (polar property) plus neutral soft spheres, and the aqueous electrolyte is put in a confined space. To simulate a condition mimicking closely processes of practical interest and yet maintaining the simulation computationally manageable, we consider an infinitely long and uncharged cylindrical tube. The equilibrium property of the self-diffusion coefficient D and the nonequilibrium property of electric conductivity sigma are computed in terms of electrolyte concentration, particle size, and cylindrical pore radius. The simulation results for the continuum solvent restrictive primitive model and continuum solvent primitive model show normal behavior for D versus pore radius R at ionic concentration 0.1M -i.e., D decreases with decreasing R -display an R independence of D at a certain threshold concentration and undergo an anomalous increase in D with reducing R at a lower value 0.025 M. The mechanism of the anomaly at the ionic concentration 0.025 M was sought for and interpreted in this work to arise from the energetic and entropic factors. Our simulated data of sigma at this same concentration follow the same trend as D. To delve further into the transport properties, we perform simulation studies for the discrete solvent primitive model and make a detailed analysis of the characteristic of the ion radial density functions. Comparison of the latter functions with those in the continuum solvent primitive model sheds light on the simulated diffusion coefficient within the context of discrete solvent primitive model which is about two orders of magnitude less. This difference in D is naturally attributed to the solvent effect. Similar disparities were reported by others for the discrete and continuum restrictive primitive models.

Journal Article↗

PubMed2004

Multicanonical basin hopping: a new global optimization method for complex systems.

We introduce a new optimization algorithm that combines the basin-hopping method, which can be used to efficiently map out an energy landscape associated with minima, with the multicanonical Monte Carlo method, which encourages the system to move out of energy traps during the computation. As an example of implementing the algorithm for the global minimization of a multivariable system, we consider the Lennard-Jones systems containing 150-185 particles, and find that the new algorithm is more efficient than the original basin-hopping method.

Journal Article↗

PubMed2004

Selective knockdown of gene expression of N-methyl-D-aspartate receptor one ameliorates parkinsonian motor symptom in 6-hydroxydopamine-lesioned rats.

The present study reported the efficacy of antisense oligonucleotides specific for N-methyl-D-aspartate receptor one (NR1) in reduction of motor symptom in a rat parkinsonian model, the unilateral 6-hydroxydopamine-lesioned rat. Significant reductions in apomorphine-induced contralateral rotation were only seen in the NR1 antisense-treated lesioned rats (after a single intraparenchymal dose of antisense to the lesioned neostriatum; 15 nmol in 3 microl of saline) at 1 or 2 days after the treatment. No motor effect was seen in the lesioned animals with control treatments (sham, treatment using NR1 sense oligonucleotides, randomized oligonucleotides or saline, respectively). In contrast, significant increases in expression of NR1 mRNA in the lesioned neostriatum were seen in rats with control treatments but not in rats with NR1 antisense treatment. Importantly, in the lesioned neostriatum that was treated with NR1 antisense, a significant reduction in NR1 protein expression was found and NR1 immunoreactivity was seen to reduce in perikarya of presumed striatal medium spiny neurons. The present data indicate that a single dose of NR1 antisense ameliorates motor symptom in the rat model. The efficacy of NR1 antisense is likely to be mediated by a selective knockdown in expression of NR1 mRNA and proteins in the presumed medium spiny neurons.

Animals↗

PubMed2003

Neurotrophin receptor immunostaining in the vestibular nuclei of rats.

The distribution of high-affinity neurotrophin receptors in cells of the vestibular nuclear complex and its subnuclei of adult rats was examined. We noted a high density of tyrosine kinase (Trk) A- and B- and a lower density of TrkC-immunostained cells. In particular, long, intensely labelled immunostained-TrkB fibres formed networks in the neuropil. Both TrkA- and TrkB-immunostained cells were widely distributed in the lateral, medial and spinal vestibular nuclei, and were less frequently seen in the superior vestibular nucleus, x and y subnuclei. However, immunostaining for TrkC was weak in many cells within the vestibular nuclei. The widespread and abundant neuronal distribution of Trk receptors predicts that their associated neurotrophins exert significant effects on individual cells within the vestibular nuclei.

Animals↗

PubMed2003

Gene expression of glutamate receptors GluR1 and NR1 is differentially modulated in striatal neurons in rats after 6-hydroxydopamine lesion.

In the present study, we attempted to address the modulation of the gene expression of N-methyl-D-aspartate (NMDA) and alpha-amino-3-hydroxy-5-methyl-4-isoxazole-propionate (AMPA) glutamate receptors in the neostriatum of the 6-hydroxydopamine (6-OHDA)-lesioned rat, an animal model of Parkinson's disease. After 2 weeks of lesion, reverse transcriptase-polymerase chain reactions (RT-PCRs) revealed significant reduction in GluR1 mRNA expression but a significant enhancement of NR1 mRNA expression in the striatal tissues of the lesioned side. No modulation in the mRNA expression of GluR2, GluR3, GluR4 and NR2B were found. Immunofluorescence with digital imaging analysis also demonstrated a significant reduction in GluR1 immunoreactivity in the lesioned neostriatum. Interestingly, the reduction in GluR1 immunoreactivity was primarily observed in presumed striatal medium spiny neurons but not in parvalbumin-labeled striatal GABAergic interneurons. Immunoreactivity for GluR2, GluR2/3, GluR4, NR1 and NR2B was unchanged in neurons of the neostriatum of the lesioned side. The present results indicate that there is an opposite trend in modulation in the gene expressions of GluR1 and NR1 in the neostriatum of 6-OHDA-lesioned rats after dopamine denervation. Modulation of GluR1 mRNA and immunoreactivity is likely to be limited in the striatal projection neurons. These findings have implications for the use of NMDA and AMPA receptor antagonists in the treatment of Parkinson's disease.

Animals↗

PubMed2002

Liquid-liquid and liquid-solid phase separation and flocculation for a charged colloidal dispersion.

We model the intercolloidal interaction by a hard-sphere Yukawa repulsion to which is added the long-range van der Waals attraction. In comparison with the Derjaguin-Landau-Verwey-Overbeek repulsion, the Yukawa repulsion explicitly incorporates the spatial correlations between colloids and small ions. As a result, the repulsive part can be expressed analytically and has a coupling strength depending on the colloidal volume fraction. By use of this two-body potential of mean force and in conjunction with a second-order thermodynamic perturbation theory, we construct the colloidal Helmholtz free energy and use it to calculate the thermodynamic quantities, pressure and chemical potential, needed in the determination of the liquid-liquid and liquid-solid phase diagrams. We examine, in an aqueous charged colloidal dispersion, the effects of the Hamaker constant and particle size on the conformation of a stable liquid-liquid phase transition calculated with respect to the liquid-solid coexistence phases. We find that there exists a threshold Hamaker constant or particle size whose value demarcates the stable liquid-liquid coexistence phases from their metastable counterparts. Applying the same technique and using the energetic criterion, we extend our calculations to study the flocculation phenomenon in aqueous charged colloids. Here, we pay due attention to determining the loci of a stability curve stipulated for a given temperature T0, and obtain the parametric phase diagram of the Hamaker constant vs the coupling strength or, at given surface potential, the particle size. By imposing T0 to be the critical temperature T(c), i.e., setting k(B)T0 (=k(B)T(c)) equal to a reasonable potential barrier, we arrive at the stability curve that marks the irreversible/reversible phase transition. The interesting result is that there occurs a minimum size for the colloidal particles below (above) which the colloidal dispersion is driven to an irreversible (reversible) phase transition.

Journal Article↗

PubMed2002

Thermal contraction of au nanoparticles.

A fine Au powder, with a mean particle diameter of 4 nm, has been successfully fabricated. The crystalline structure of the 4 nm Au nanoparticles remains in fcc symmetry. No structural changes were found between 15 and 450 K. A crossover from a positive thermal expansion at low temperatures to a negative thermal expansion at high temperatures was observed in the fcc cell parameter at about 125 K. Anomalies associated with the crossover were also observed in the magnetic response and the heat capacity measurements. The observations can be reasonably well interpreted by accounting for the effects of the valence electron potential on the equilibrium lattice separations, with a weakly temperature dependent level spacing.

Journal Article↗

PubMed2001

Realistic calculation of the low- and high-density liquid phase separation in a charged colloidal dispersion.

A realistic statistical-mechanics model is applied to describe the repulsive interaction between charged colloids. The latter, in combination with the long-range van der Waals attraction simulated under excess salt environment, gives rise to a total intercolloidal particle potential showing a clear second potential minimum. Differing from the usual Derjaguin-Landau-Verwey-Overbeek (DLVO) model, the present model is valid at any finite concentration of colloids and is thus an appropriate model for investigating the low- and high-density liquid phase transition. Employing this two-body colloid-colloid potential and in conjunction with the Weeks-Chandler-Andersen [J. D. Weeks, D. Chandler, and H. C. Andersen, J. Chem. Phys. 54, 5237 (1971)] thermodynamic perturbation theory, we derive analytical expressions for the pressure, chemical potential, and related thermodynamic functions. These thermodynamic quantities were used to calculate the phase diagrams of charged colloidal dispersions in terms of the critical parameters: temperature, volume fraction, and electrolyte concentration parameter k(D). Compared with the DLVO model, we find the areas enclosed within the spinodal decomposition and also the liquid-liquid coexistence curves broader in the present model for an excess salt condition kappa=k(D)sigma(0)< or similar to 200, sigma(0) being the macroion diameter, in addition to exhibiting a shift in the critical point kappa(c) to lower values; for kappa>300, the disparities between the two models reduce. The same thermodynamic perturbation theory has been employed to study also the weak reversible coagulation whose physical origin is attributed to the presence of the second potential minimum. We examine various colloidal parameters that affect the structure of the latter and deduce from our analysis the conditions of colloidal stability. In comparison with the measured flocculation data for a binary mixture of polystyrene lattices and water, we find that our calculated results are generally reasonable, thus lending great credence to the presently used model.

Journal Article↗

PubMed2000

Changes in expression of N-methyl-D-aspartate receptor subunits in the rat neostriatum after a single dose of antisense oligonucleotide specific for N-methyl-D-aspartate receptor 1 subunit.

In order to investigate the process of gene expression of N-methyl-D-aspartate glutamate receptor (NMDAR) subunits in the rat neostriatum and how this relates to motor behaviors, a single dose of antisense phosphodiester oligodeoxynucleotide specific for NMDAR1 was unilaterally applied in the neostriatum in a stereotaxic apparatus. After one day of antisense treatment, ipsilateral rotation behaviors that were induced by apomorphine were found in the treated animals. Reductions in the levels of expression of NMDAR1 and NMDAR2A messenger RNAs (NMDAR1: 20.6%; NMDAR2A: 19.7%) were found in the antisense-treated striatal tissues by reverse transcriptase-polymerase chain reaction. There was no change in the levels of NMDAR2B, NMDAR2C and NMDAR2D messenger RNAs. After two days, western blotting experiments showed that there were decreases in the levels of expression of NMDAR1 (decreased 27.6%) and NMDAR2A (decreased 19.2%) proteins in the NMDAR1 antisense-treated striatal tissues. In addition, NMDAR1 immunoreactivity was found to decrease in intensity in the NMDAR1 antisense-treated neostriatum. At the cellular level, the intensity of NMDAR1 immunoreactivity in perikarya of presumed medium spiny neurons was found to decrease. These results indicate that a single dose of NMDAR1 antisense modifies the expression of NMDAR1 messenger RNA and protein in neurons in the neostriatum. The modification in the expression of NMDAR1 has differential effects in the expression of NMDAR2 subunits. Gene expression of the native NMDAR subunits is likely to be a dynamic process. The change in gene expression of the NMDAR subunits in the neostriatum may have a profound effect on the motor behaviors of rats.

Animals↗

PubMed1999

Interference of Hb-H disease in automated reticulocyte counting.

Hb-H disease is a form of alpha-thalassemia commonly found in south-east Asia. In this condition, numerous Hb-H bodies are found in erythrocytes using reticulocyte staining preparations. This is the first study addressing the possible interference of Hb-H inclusions in automated reticulocyte counting. In this study, seven Hb-H disease samples were tested. Results obtained by the visual method and the Technicon H*3 automated method agreed relatively well. This was in contrast to the Coulter STKS automated method which generally gave lower results. Furthermore, when the incubation time was extended to 180 min in the Coulter STKS method, two Hb-H disease samples gave results several-fold higher than those obtained using the 60 min incubation time. These discrepant results were likely to have been caused by the analyser using the wrong threshold to separate reticulocytes and mature erythrocytes. High and low interference in Hb-H disease samples was observed in the Coulter STKS automated reticulocyte method. Laboratories should be aware of this potential problem, particularly when samples are from patients of Asian origin.

Autoanalysis↗

PubMed1996

Implant-retained mandibular overdentures: a simplified effective treatment option.

The use of implant-retained mandibular overdentures is a treatment option for compromised patients. The combination of using a bar and intracoronal attachments to connect two implants provides cross-arch stabilization, good retention and stability for the overdenture which is still mainly supported by soft tissue. However, connecting the component parts of an internal attachment to the removable overdenture requires numerous laboratory and clinical procedures and the resulting errors can prevent proper seating of the prosthesis. A simple, direct technique, totally controlled by the operator, is presented to increase the precision of the assemble of the component parts and contribute to the precise fit if the implant-retained overdenture. The advantages, disadvantages and the rational treatment are discussed.

Dental Implants↗

PubMed1984

Subpopulation heterogeneity in human acute myeloid leukemia determined by monoclonal antibodies.

The leukemic population in 63 patients with acute myeloid leukemia (AML) was studied with 15 monoclonal antibodies that detect lineage-related and stage-related antigens on normal hemopoietic cells. Indirect immunofluorescence and fluorescence-activated cell sorting showed that subpopulations of leukemic cells reacted with some or all antibodies, but the percentage of cells reacting with a single antibody varied widely among patients. The composite antigenic phenotype of the various cases, as determined by immunofluorescence assay, did not correlate with the French-American-British morphological classification. Furthermore, some cells in each case failed to express any antigen normally expressed on myelomonocytic precursors from the level of the early CFU-GM to the mature granulocyte or monocyte. In double-fluorescence experiments, the individual cells expressed none, one, or both antigens. These results demonstrate that there is considerable subpopulation heterogeneity in AML. This heterogeneity may considerably limit or complicate the use of monoclonal antibodies for diagnosis, prognosis, and treatment of acute nonlymphocytic leukemia (ANLL).

Adult↗