11,750 research outputs found
Critical exponents of a three dimensional O(4) spin model
By Monte Carlo simulation we study the critical exponents governing the
transition of the three-dimensional classical O(4) Heisenberg model, which is
considered to be in the same universality class as the finite-temperature QCD
with massless two flavors. We use the single cluster algorithm and the
histogram reweighting technique to obtain observables at the critical
temperature. After estimating an accurate value of the inverse critical
temperature \Kc=0.9360(1), we make non-perturbative estimates for various
critical exponents by finite-size scaling analysis. They are in excellent
agreement with those obtained with the expansion method with
errors reduced to about halves of them.Comment: 25 pages with 8 PS figures, LaTeX, UTHEP-28
Computer simulation of protein systems
Ligand binding to dihydrofolate reductase (DHFR) is discussed. This is an extremely important enzyme, as it is the target of several drugs (inhibitors) which are used clinically as antibacterials, antiprotozoals and in cancer chemotherapy. DHFR catalyzes the NADPH (reduced nicotinamide adenine dinucleotide phosphate) dependent reduction of dihydrofolate to tetrahydrofolate, which is used in several pathways of purine and pyrimidine iosynthesis, including that of thymidylate. Since DNA synthesis is dependent on a continuing supply of thymidylate, a blockade of DHFR resulting in a depletion of thymidylate can lead to the cessation of growth of a rapidly proliferating cell line. DHFR exhibits a significant species to species variability in its sensitivity to various inhibitors. For example, trimethoprim, an inhibitor of DHFR, binds to bacterial DHFR's 5 orders of magnitude greater than to vertebrate DHFR's. The structural mechanics, dynamics and energetics of a family of dihydrofolate reductases are studied to rationalize the basis for the inhibitor of these enyzmes and to understand the molecular basis of the difference in the binding constants between the species. This involves investigating the conformational changes induced in the protein on binding the ligand, the internal strain imposed by the enzyme on the ligand, the restriction of fluctuations in atom positions due to binding and the consequent change in entropy
Glycocalyx of Epidermal Cells in Vitro: Demonstration and Enzymatic Removal
Guinea-pig epidermal cells in culture possess a glycocalyx coat similar to that in vivo, as revealed by the ruthenium red staining technique. Trypsin. phospholipase C, and lysozyme do not produce any changes of the glycocalyx, while hyaluronidase and neuraminidase lead to partial and subcomplete removal, respectively. Cells stripped of their glycocalyx coat by neuraminidase do not detach from the support and do not show any signs of toxicity. There is complete reconstitution of the glycocalyx within 24 hr
Blockspin Cluster Algorithms for Quantum Spin Systems
Cluster algorithms are developed for simulating quantum spin systems like the
one- and two-dimensional Heisenberg ferro- and anti-ferromagnets. The
corresponding two- and three-dimensional classical spin models with four-spin
couplings are maped to blockspin models with two-blockspin interactions.
Clusters of blockspins are updated collectively. The efficiency of the method
is investigated in detail for one-dimensional spin chains. Then in most cases
the new algorithms solve the problems of slowing down from which standard
algorithms are suffering.Comment: 11 page
Comments on Sweeny and Gliozzi dynamics for simulations of Potts models in the Fortuin-Kasteleyn representation
We compare the correlation times of the Sweeny and Gliozzi dynamics for
two-dimensional Ising and three-state Potts models, and the three-dimensional
Ising model for the simulations in the percolation prepresentation. The results
are also compared with Swendsen-Wang and Wolff cluster dynamics. It is found
that Sweeny and Gliozzi dynamics have essentially the same dynamical critical
behavior. Contrary to Gliozzi's claim (cond-mat/0201285), the Gliozzi dynamics
has critical slowing down comparable to that of other cluster methods. For the
two-dimensional Ising model, both Sweeny and Gliozzi dynamics give good fits to
logarithmic size dependences; for two-dimensional three-state Potts model,
their dynamical critical exponent z is 0.49(1); the three-dimensional Ising
model has z = 0.37(2).Comment: RevTeX, 4 pages, 5 figure
Waste Not, Want Not: The Potential for Urban Water Conservation in California
The largest, least expensive, and most environmentally sound source of water to meet California's future needs is the water currently being wasted in every sector of our economy. This report, "Waste Not, Want Not," strongly indicates that California's urban water needs can be met into the foreseeable future by reducing water waste through cost-effective water-saving technologies, revised economic policies, appropriate state and local regulations, and public education
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