Inside narrow pores, for instance, realized as carbon nanotubes, water forms structures that strongly differ from the structure of bulk liquid water or ice. Here we compute vibrational spectra of such systems using molecular dynamics simulation combined with quantum mechanical perturbation theory. We focus on the spectroscopic response of single-file water chains in pores with subnanometer diam...

The compositional profile of graded distributed Bragg reflectors (DBRs) in vertical-cavity surface-emitting lasers (VCSELs) is investigated. Molecular flux measurements allow to determine small differences between the nominal profile and the epitaxially grown structures. These small differences explain completely the suppression of the higher-order satellites in the HRXRD (high-resolution x-ray...

In view of the increase in Saccharomyces cerevisiae mannan content, the culture condition for S.cerevisiae were optimized in this study. The influence of culture condition such as original pH, inoculum size, and temperature on mannan production were evaluated using Response surface methodology. The mathematical model was established by the quadratic rotary combination design. with the order of ...

The B̃-X̃ laser-induced-fluorescence spectrum of jet-cooled isopropoxy radical (i-C3H7O[middle dot]) has been recorded. Using an isolated state model the observed rotational and fine structure of the origin band has been well simulated to determine rotational constants for both the X̃ and B̃ states and the electron spin-rotation constants of the X̃ state. The line intensities are well simulated with...

We correlate the localization of silver nanoparticles inside cells with respect to the cellular architecture with the molecular information in the vicinity of the particle surface by combining nanoscale 3D cryo-soft X-ray tomography (cryo-SXT) with surface-enhanced Raman scattering (SERS). The interaction of the silver nanoparticle surface with small molecules and biopolymers was monitored by S...

the impact resistance of new lightweight panel is studied. this panel consists of two thin metal layers bonded together by intermediate fiber/epoxy layers (mcm-sheets). to simulate a behavior of this kind of impact problem, explicit and implicit finite element software abaqus is used. in order to validate the finite element modeling, these results have been compared with experimental test resul...

in the present study, the effects of four factors including initial sulfide concentration (mg l-1 ), agitation speed (rpm), amount of inoculums (%) and sodium concentration (mg l-1) on removal efficiency (%r) and yield of sulfate production by thioalkalivibrio versutus from synthetic spent caustic were investigated. for this purpose, experiments are designed by design of experiments (doe) and r...

background: application of potassium ferrate is a chemical oxidation approach used for water and wastewater treatment. the aim of this study is to apply central composite design (ccd) and response surface methodology (rsm) to optimize potassium ferrate consumption in the treatment of wastewater from carpet industries. methods: samples in this experimental study were collected from wastewater, o...