Vibrational Dynamics of the Diterpene-Neoandrographolide

the study of bright and surface discrete cavity solitons dynamics in saturable nonlinear media

امروزه سالیتون ها بعنوان امواج جایگزیده ای که تحت شرایط خاص بدون تغییر شکل در محیط منتشر می-شوند، زمینه مطالعات گسترده ای در حوزه اپتیک غیرخطی هستند. در این راستا توجه به پدیده پراش گسسته، که بعنوان عامل پهن شدگی باریکه نوری در آرایه ای از موجبرهای جفت شده، ظاهر می گردد، ضروری است، زیرا سالیتون های گسسته از خنثی شدن پراش گسسته در این سیستم ها بوسیله عوامل غیرخطی بوجود می آیند. گسستگی سیستم عامل...

Vibrational dynamics of hydrogen bonds

Modeling truncated hemoglobin vibrational dynamics.

We present a study on the near equilibrium dynamics of two small proteins in the family of truncated hemoglobins, developed under the framework of a Gaussian network approach. Effective beta carbon atoms are taken into account besides Calphas for all residues but glycines in the coarse-graining procedure, without leading to an increase in the degrees of freedom (beta Gaussian Model). Normalized...

Vibrational Dynamics of Atoms in Proteins

Biological macromolecules expand with increasing temperature and this dynamic expansion is associated with the onset of function. The expansion is typically characterized by the mean square vibrational displacement (MSD), 〈u〉, of specific atoms such as hydrogen within the macromolecules. We show that the observed expansion and change in slope of 〈u〉 with temperature at a dynamical transition te...

Vibrational dynamics of solid poly ( ethylene oxide )

Molecular dynamics (MD) simulations of crystalline poly(ethylene oxide) (PEO) have been carried out in order to study its vibrational properties. The vibrational density of states has been calculated using a normal mode analysis (NMA) and also through the velocity autocorrelation function of the atoms. Results agree well with experimental spectroscopic data. System size effects in the crystalli...