An adaptive wavelet method for the chemical master equation is constructed. The method is based on the representation of the solution in a sparse Haar wavelet basis, the time integration by Rothe’s method, and an iterative procedure which in each time-step selects those degrees of freedom which are essential for propagating the solution. The accuracy and efficiency of the approach is discussed,...

[This corrects the article DOI: 10.1371/journal.pone.0130494.].

There is great need to express the impacts of chemicals found in the environment in terms of effects from alternative chemicals of interest. Methods currently employed in fields such as life-cycle assessment, risk assessment, mixtures toxicology, and pharmacology rely mostly on heuristic arguments to justify the use of linear relationships in the construction of "equivalency factors," which aim...

Current Lagrangian (particle-tracking) algorithms used to simulate diffusionreaction equations must employ a certain number of particles to properly emulate the system dynamics—particularly for imperfectly-mixed systems. The number of particles is tied to the statistics of the initial concentration fields of the system at hand. Systems with shorter-range correlation and/or smaller concentration...

Studies on the structure–activity relationship of drugs essentially require a relational learning scheme in order to extract meaningful chemical subgraphs; however, most relational learning systems suffer from a vast search space. On the other hand, some propositional logic mining methods use the presence or absence of chemical fragments as features, but rules so obtained give only crude knowle...

Chemical potential, as an important thermodynamic quantity, has been popularly used in thermodynamic modeling for complex systems, especially for those involving the phase transitions and chemical reactions. Here we present a chemical-potential-based multiphase lattice Boltzmann model, in which the nonideal force is directly evaluated by a chemical potential. The numerical computation is more e...

in order to study the effects of integrated application of bio-fertilizer and chemical fertilizers on yield and yield components of corn, an experiment was conducted in 2008 in dezful city, (khoozestan province) in a factorial arrangement based on complete randomized block design with four replications. treatments were integrated application of biological and chemical fertilizers in four levels...

The concentration of plasma sialic acid was estimated using the modified chemical method and the more sensitive enzymatic method in 20 subjects with impaired glucose tolerance and 20 control subjects. The mean sialic acid concentration values of the control subjects and subjects with impaired glucose tolerance using the enzymatic method were 1.747 +/- 0.047 and 2.583 +/- 0.070 mmole/l and 1.753...

A practical method for transmission electron microscopy specimen preparation of GaAs-based materials with quantum dot structures is presented to show that high-quality image observations in high-resolution transmission electron microscopy (HRTEM) can be effectively obtained. Specimens were prepared in plan-view and cross-section using ion milling, followed by two-steps chemical fine polishing w...

The importance of the glass surface has received increased scrutiny in the last several years including the publication of the FDA advisory on delamination in 2011 and the introduction of the Glass Surface Test to USP <660> in 2012. In the production of glass containers, the forming process (converting) is the primary mechanism that alters the surface chemistry. Changes in the surface chemistry...