Search results for " parameter"
showing 10 items of 13688 documents
Computer simulation studies of finite-size broadening of solid–liquid interfaces: from hard spheres to nickel
2009
Using Molecular Dynamics (MD) and Monte Carlo (MC) simulations interfacial properties of crystal-fluid interfaces are investigated for the hard sphere system and the one-component metallic system Ni (the latter modeled by a potential of the embedded atom type). Different local order parameters are considered to obtain order parameter profiles for systems where the crystal phase is in coexistence with the fluid phase, separated by interfaces with (100) orientation of the crystal. From these profiles, the mean-squared interfacial width w^2 is extracted as a function of system size. We rationalize the prediction of capillary wave theory that w^2 diverges logarithmically with the lateral size o…
Improved model based on the Weibull distribution to describe the combined effect of pH and temperature on the heat resistance of Bacillus cereus in c…
2003
The effect of pH and temperature on the thermal inactivation of different strains of Bacillus cereus was modeled. Inactivation tests were carried out in carrot broth, following a full factorial design at four levels for temperature (from 90 to 105 degrees C, depending on the strain) and pH (6.2, 5.8, 5.2, and 4.7). Individual inactivation curves were analyzed by applying the Weibull model function (with percent discrepancy close to 20% for most cases), and the effects of pH and temperature on the scale parameter (designated D(beta)) and the shape parameter (beta) were also studied. Temperature and pH did not have a significant effect on the shape parameter (beta). The effect of temperature …
Deguna vārstules aktivitātes novērtējums, izmantojot 4 fāžu rinamometru. Jauna parametra ieviešana un statistiskais novērtējums
2017
Darba mērķis: jauna parametra (deguna vārstules indeksa) izpēte, identificējot cilpas rinomanometriskajās līknēs kā deguna vārstules aktivitāties pazīmi. Skaitliski novērtēt rinomanometrijas cilpu nozīmi ar deguna vārstules indeksa palīdzību. Materiāli un metodes: rinomanometrijas dati tika iegūti no 250 pacientiem (veicot aktīvas priekšējās rinomanometrijas mērījumus), ar rinomanometru 4RHINO (RhinolabGermany), programmatūras versijā 4.31 un 5.01. Mērījumi tika veikti pirms dekongestantu lietošanas un pēc dekongestantu lietošanas, atkārtojot mērījumus pēc 10 minūtēm. Deguna vārstules indekss tika atlasīts un pievienots "HRR-Export-file". Statistiskajai analīzei tika izmantots Microsoft Off…
Use of the Cultex® Radial Flow System as an in vitro exposure method to assess acute pulmonary toxicity of fine dusts and nanoparticles with special …
2013
Exposure of the respiratory tract to airborne particles (including metal-dusts and nano-particles) is considered as a serious health hazard. For a wide range of substances basic knowledge about the toxic properties and the underlying pathomechanisms is lacking or even completely missing. Legislation demands the toxicological characterization of all chemicals placed on the market until 2018 (REACH). As toxicological in vivo data are rare with regard to acute lung toxicity or exhibit distinct limitations (e.g. inter-species differences) and legislation claims the reduction of animal experiments in general ("3R" principle), profound in vitro models have to be established and characterized to m…
Odorant binding changes the electrical properties of olfactory receptors at the nanoscale
2021
Olfactory receptors (ORs) comprise the largest multigene family in the vertebrates. They belong to the class A (rhodopsin-like) family of G protein-coupled receptors (GPCRs), which are the most abundant membrane proteins, having widespread, significant roles in signal transduction in cells, and therefore, they are a major pharmacological target. Moreover, ORs displayed high selectivity and sensitivity towards odorant detection, a characteristic that raised the interest for developing biohybrid sensors based on ORs for the detection of volatile compounds. The transduction of odorant binding into cellular signaling by ORs is not well understood and knowing its mechanism would enable developin…
Application of Genetic Algorithm on Parameter Optimization of Three Vehicle Crash Scenarios
2017
Abstract This paper focuses on the development of mathematical models for vehicle frontal crashes. The models under consideration are threefold: a vehicle into barrier, vehicle-occupant and vehicle to vehicle frontal crashes. The first model is represented as a simple spring-mass-damper and the second case consists of a double-spring-mass-damper system, whereby the front mass and the rear mass represent the vehicle chassis and the occupant, respectively. The third model consists of a collision of two vehicles represented by two masses moving in opposite directions. The springs and dampers in the models are nonlinear piecewise functions of displacements and velocities respectively. More spec…
Hansen theory applied to the identification of nonhazardous solvents for hybrid perovskite thin-films processing
2018
Abstract Metal-halide perovskites have become the most studied material for efficient next-generation solar cells, in part because of the possibility of depositing high quality semiconducting perovskites by simple solution-based methods. However, the majority of solvent systems implemented in literature for deposition of lead halide perovskites are hazardous to handle. Investigation of alternatives perovskite processing methods are hence key to safely upscale the perovskite photovoltaic manufacturing. In this manuscript we use the Hansen theory to find suitable nonhazardous solvents to solubilize two lead salts, PbBr2 and PbI2, used to fabricate the corresponding methylammonium (MA) lead ha…
Primary- and secondary-octahedral distortion factors in bis(1,4-H2-1,2,4-triazolium) pentabromidoantimonate(III) –1,4-H2-1,2,4-triazolium bromide
2015
Abstract The analysis of octahedral distortion in the structure of inorganic–organic (C2H4N3)2[SbBr5]·(C2H4N3)Br (BTPTB) bromidoantimonate(III) determined at 295 and 85 K, supported by the Hirshfeld surface analysis and the data retrieved from the Cambridge Structural Database, is presented. The anionic substructure of BTPTB is built from distorted [SbBr6]3− octahedra that are connected by the cis corners forming polymeric one-dimensional [{SbBr5}n]2n− zig-zag chains running parallel to the a axis and isolated Br− ions. The organic substructure consists of the fully ordered 1,4-H2-1,2,4-triazolium cations. The oppositely charged substructures are linked by the system of N(C)–H⋯Br hydrogen b…
Molecular Features Behind Formation of α or β Co-Crystalline and Nanoporous-Crystalline Phases of PPO
2022
Guest molecular features determining the formation of α and β phases of poly(2-6-dimethyl-1,4-phenylene) oxide (PPO) are explored by collecting literature data and adding many new film preparations, both by solution casting and by guest sorption in amorphous films. Independently of the considered preparation method, the α-form is favored by the hydrophobic and bulky guest molecules, while the hydrophilic and small guest molecules favor the β-form. Furthermore, molecular modeling studies indicate that the β-form inducer guests establish stronger dispersive interactions with the PPO units than the α-form inducer guests. Thus, the achievement of co-crystalline (and derived nanoporous crystalli…
CCDC 796466: Experimental Crystal Structure Determination
2014
Related Article: L. Koskinen, S. Jaaskelainen, E. Kalenius, P. Hirva and M. Haukka|2014|Cryst.Growth Des.|14|1989|doi:10.1021/cg500102c