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2.
J Chem Phys ; 151(8): 084901, 2019 Aug 28.
Article in English | MEDLINE | ID: mdl-31470715

ABSTRACT

Aggregation of protein into bundles is responsible for many neurodegenerative diseases. In this work, we show how two-patch colloidal particles self-assemble into chains and a sudden transition to bundles takes place by tuning the patch size and solvent condition. We study the kinetics of formation of chains, bundles, and networklike structures using patchy Brownian cluster dynamics. We also analyze the ways to inhibit and accelerate the formation of these bundles. We show that in the presence of inert immobile obstacles, the kinetics of formation of bundles slows down. However, in the presence of mobile aggregating particles, which exhibit interspecies hard sphere repulsion and intraspecies attraction, the kinetics of bundle formation accelerates slightly. We also show that if we introduce mobile obstacles, which exhibit interspecies attraction and intraspecies hard sphere repulsion, the kinetics of formation of bundles is inhibited. This is similar to the inhibitory effect of peptide P4 on the formation of insulin fibers. We are providing a model of mobile obstacles undergoing directional interactions to inhibit the formation of bundles.

3.
J Int Oral Health ; 7(9): 134-7, 2015 Sep.
Article in English | MEDLINE | ID: mdl-26435633

ABSTRACT

Treating infants and young children is a rewarding experience, especially when we guide parents and children down the path of prevention and interception of oral disease. The pediatric dentist has to be updated about the new technologies to treating patients along with basic principles. This article gives a brief discussion on the types, applications, advantages, and limitations of the use of lasers in pediatric dentistry.

4.
J Chem Phys ; 141(2): 024904, 2014 Jul 14.
Article in English | MEDLINE | ID: mdl-25028043

ABSTRACT

We present a novel simulation technique derived from Brownian cluster dynamics used so far to study the isotropic colloidal aggregation. It now implements the classical Kern-Frenkel potential to describe patchy interactions between particles. This technique gives access to static properties, dynamics and kinetics of the system, even far from the equilibrium. Particle thermal motions are modeled using billions of independent small random translations and rotations, constrained by the excluded volume and the connectivity. This algorithm, applied to a single polymer chain leads to correct static and dynamic properties, in the framework where hydrodynamic interactions are ignored. By varying patch angles, various local chain flexibilities can be obtained. We have used this new algorithm to model step-growth polymerization under various solvent qualities. The polymerization reaction is modeled by an irreversible aggregation between patches while an isotropic finite square-well potential is superimposed to mimic the solvent quality. In bad solvent conditions, a competition between a phase separation (due to the isotropic interaction) and polymerization (due to patches) occurs. Surprisingly, an arrested network with a very peculiar structure appears. It is made of strands and nodes. Strands gather few stretched chains that dip into entangled globular nodes. These nodes act as reticulation points between the strands. The system is kinetically driven and we observe a trapped arrested structure. That demonstrates one of the strengths of this new simulation technique. It can give valuable insights about mechanisms that could be involved in the formation of stranded gels.


Subject(s)
Polymerization , Polymers/chemistry , Solvents/chemistry , Algorithms , Diffusion , Gels/chemistry , Kinetics , Molecular Dynamics Simulation
6.
Eur Phys J E Soft Matter ; 34(12): 1-7, 2011 Dec.
Article in English | MEDLINE | ID: mdl-22197906

ABSTRACT

The dynamics of a semi-flexible sheet or tethered membrane in a solvent is studied using the method of stochastic rotation dynamics. Hydrodynamic interactions between different parts of the sheet are naturally included in this method. We confirm the scaling law for the radius of gyration versus sheet size predicted for a self-avoiding tethered membrane. The mean-square displacement shows both sub-diffusive and diffusive behavior similar to linear polymers. In the intermediate scattering function the sub-diffusive behavior appears as stretched exponential which we reproduce in our simulations. Thereby, we confirm an early prediction between the roughness and the sub-diffusion exponent derived from Zimm dynamics (E. Frey, D.R. Nelson, J. Phys. I 1, 1715 (1991)). Finally, we show that the diffusion coefficient of the square sheet is inversely proportional to the edge length of the sheet again in good agreement with theoretical predictions.


Subject(s)
Membranes, Artificial , Models, Chemical , Models, Molecular , Polymers/chemistry , Computer Simulation , Elastic Modulus , Molecular Conformation , Rotation , Stress, Mechanical
7.
J Indian Med Assoc ; 98(5): 237-41, 244, 249, 2000 May.
Article in English | MEDLINE | ID: mdl-11002622

ABSTRACT

Depression is probably the most common psychiatric disorder in women. Women are a vulnerable group of depression due to psychological, social and biological factors. Marital relationships, social support, roles and self esteem are factors that contribute to depression. In addition, several periods in women's life relating to the reproductive cycle are periods of increased vulnerability. Management of depression in women should consist of detailed assessment of all the above factors. Drug treatment of depression in women requires an in depth understanding of pharmacokinetics of the drugs used and possible drug interactions. Treatment of depression in women should integrate both psychosocial and biological treatment modalities.


Subject(s)
Depression/therapy , Antidepressive Agents/therapeutic use , Depression/drug therapy , Depression, Postpartum/diagnosis , Depression, Postpartum/etiology , Electroconvulsive Therapy , Female , Humans , Menopause/drug effects , Menopause/psychology , Menstrual Cycle/psychology , Sex Factors
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