24 research outputs found

    Adaptive Coarse-Graining Framework to Model Non-Equilibrium Dynamic Behavior of Biopolymers

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    Extended two-body problem for rotating rigid bodies

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    A new technique that utilizes surface integrals to find the force, torque and potential energy between two non-spherical, rigid bodies is presented. The method is relatively fast, and allows us to solve the full rigid two-body problem for pairs of spheroids and ellipsoids with 12 degrees of freedom. We demonstrate the method with two dimensionless test scenarios, one where tumbling motion develops, and one where the motion of the bodies resemble spinning tops. We also test the method on the asteroid binary (66391) 1999 KW4, where both components are modelled either as spheroids or ellipsoids. The two different shape models have negligible effects on the eccentricity and semi-major axis, but have a larger impact on the angular velocity along the zz-direction. In all cases, energy and total angular momentum is conserved, and the simulation accuracy is kept at the machine accuracy level.Comment: 24 pages, 9 figures, accepted for publication in Celestial Mechanics and Dynamical Astronom

    The effect of excipients on the stability and aerosol performance of salmon calcitonin dry powder inhalers prepared via spray freeze drying process

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    Spray freeze drying was developed to produce dry powders suitable for applications such as inhalation delivery. In the current study, the spray freeze drying technique was employed to produce inhalable salmon calcitonin microparticles. Effects of the carrier type, concentration of hydroxyl propyl-β-cyclodextrin and the presence of Tween 80 on the chemical and structural stability, as well as on the aerosol performance of the particles were investigated. The results indicated that hydroxyl propyl-β-cyclodextrin had the most important effect on the chemical stability of the powder and strongly increased its stability by increasing its concentration in the formulation. Chemically stable formulations (over 90 % recovery) were selected for further examinations. Fluorescence spectroscopy and circular dichroism suggested that the formulations were structurally stable. Aerosol performance showed that the Tween-free powders produced higher fine particle fraction values than the formulations containing Tween (53.7 vs. 41.92 % for trehalose content and 52.85 vs. 43.06 % for maltose content)

    DETC2009-87585 DRAFT: LOGARITHMIC COMPLEXITY SENSITIVITY ANALYSIS OF FLEXIBLE MULTIBODY SYSTEMS

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    ABSTRACT This paper presents a recursive direct differentiation metho

    Comparison of the Personality Profiles of Inmate Anonymous and Non-Anonymous Male Addicts

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    Aim: This study compared the personality profiles of inmate anonymous and non-anonymous male addicts. Method: The participants of study were anonymous and non-anonymous male addicts of the prisons of the Hamadan province in 1391. The population was 3130 addicts, including 627 anonymous and 2503 non-anonymous addicts. The 310 addicts were selected by stratified random sampling the sample size was determined by Cochran formula.The short-form NEO Five Factor personality questionnaire administered among selected sample. Data analyzed by descriptive statistic as frequency and percentage, also, inferential statistic as multivariate analysis of variance was run. Results: The results showed that personality profiles of anonymous and non-anonymous addicts were significantly different. That is, mean score of neuroticism in anonymous addicts was less than non anonymous. Also, mean score of extraversion was higher in anonymous addicts. Conclusion: It can be concluded that the anonymous male addicts are differ with non-anonymous male addicts in personality traits

    Efficient force field calculation in articulated multiscale molecular simulations

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    Multiscale simulations of molecular systems such as proteins, DNAs, and RNAs are implemented using models with different resolutions ranging from a fully atomistic model to coarse-grained molecules, up to a continuum level system descriptions. For such simulations, pairwise force calculation is a serious bottleneck which can impose a prohibitive amount of computational load on the simulation if not performed wisely. Herein, a novel method is presented to approximate the resultant force and the associated moment for long-range particlebody and body-body interactions applicable to multiresolution coarse-grained simulation of biopolymers. The resultant moment is due to the fact that the net force does not necessarily act through the center of mass of the body. This moment is neglected in bead-based coarse models which use particle dynamics to form the equations of motion of each large spherical pseudo-atom. The presented method significantly reduces the cost of the force field calculations specially in multiscale models which contain rigid subdomain
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