Publications by authors named "Ruzicka S"

Correction for 'Folding kinetics of a polymer' by Štěpán Růžička et al., Phys. Chem.

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Stiff, elongated biomolecules such as filamentous viruses, DNA or cellulose nanocrystals are known to form liquid crystals often exhibiting a helical supramolecular organization. Little is known about the microscopic origin, size and handedness of the helical pitch in these, so-called cholesteric phases. Experimental observations in chiral lyotropics suggest that long-ranged chiral forces of electrostatic origin acting between the mesogens are responsible for such organization.

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Experiments done on polydisperse particles of cadmium selenide have recently shown that the particles form spherical isolated clusters with low polydispersity of cluster size. The computer simulation model of Xia et al. ( Nat.

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Supercooled colloidal or molecular systems at low densities are known to form liquid, crystalline or glassy drops, which may remain isolated for a long time before they aggregate. This paper analyses the properties of this large time window, and how it can be tackled by computer simulation. We use single-particle and virtual move Monte Carlo simulations of short-range attractive spheres which are undercooled to the temperature region, where the spinodal intersects the attractive glass line.

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Virtual move Monte Carlo is a cluster algorithm which was originally developed for strongly attractive colloidal, molecular, or atomistic systems in order to both approximate the collective dynamics and avoid sampling of unphysical kinetic traps. In this paper, we present the algorithm in the form, which selects the moving cluster through a wider class of virtual states and which is applicable to general pairwise interactions, including hard-core repulsion. The newly proposed way of selecting the cluster increases the acceptance probability by up to several orders of magnitude, especially for rotational moves.

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Virtual move Monte Carlo is a Monte Carlo (MC) cluster algorithm forming clusters via local energy gradients and approximating the collective kinetic or dynamic motion of attractive colloidal particles. We carefully describe, analyze, and test the algorithm. To formally validate the algorithm through highlighting its symmetries, we present alternative and compact ways of selecting and accepting clusters which illustrate the formal use of abstract concepts in the design of biased MC techniques: the superdetailed balance and the early rejection scheme.

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We present the results of computer simulations giving a kinetic insight into the liquid-to-solid transition of a homopolymer chain with short-range interactions. By calculating the absolute rates in each direction of the transition, using molecular dynamics employing the forward flux sampling scheme, we provide the phase diagram based on purely kinetic data, and compare it with the results from Monte Carlo simulations. Additionally, we present and discuss a remarkably simple and general relation between the polymer topology and the folding pathway, and show that the eigenvalue spectrum of a matrix defined by non-bonded contacts (the Laplacian matrix) provides an insight into the nonequilibrium ensembles of these trajectories.

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The study comprised 100 ischemic stroke patients of both sexes aged 15-45 years who were treated at the Clinic of Neurology of the Clinical Center of Vojvodina in the period January 2001-September 2004. All study subjects were divided into three age groups: 15-25, 26-35 and 36-45 years. Sex, age and risk factors for cerebrovascular disease were determined in all patients.

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This pilot study assessed pain using 7 dimensions of pain (physiologic, behavioral, sensory, affective, cognitive, sociocultural, and spiritual) to better understand and identify patterns of elder response to chronic pain within a holistic framework. Previously validated instruments were used to assess 150 cognitively intact subjects, aged 65 years and older, with chronic pain. Thirteen patterns were identified reflecting distinct patterns of pain response.

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The purpose of this descriptive study was to better understand elders' beliefs regarding chronic pain. The research questions were (a) What are the pain beliefs of elders experiencing nonmalignant chronic pain (NMP) and chronic pain associated with malignancy with the hope for recovery (MHR)? (b) Are there differences in pain beliefs between the NMP group and the MHR group? and (c) Do elders have similar or different pain beliefs? Sixty adults age 65 or older, all cognitively intact, completed the Pain Beliefs Questionnaire; 30 had arthritis and 30 had cancer. Of the total, 60% responded that pain is the result of damage to the body--either often, almost always, or always.

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It is clear that normal aging changes influence the response of the older adult to surgical intervention. Understanding and awareness of these age related changes, such as increased risk for chronic illness and decreased homeostatic capacity, is essential for optimal outcomes for elders undergoing surgical intervention. Knowledge of these changes and careful assessment by nursing staff can prevent or minimize the complications that elders are prone to, such as pneumonia, falls and confusion.

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Based on findings that showed increased P-selectin expression on platelets and on choroidal microvessels of patients with insulin dependent diabetes mellitus (IDDM), we hypothesized that also plasma concentrations of circulating (c)P-selectin would be increased in these patients. The aim of this study was to compare the plasma levels of cP-selectin between non-smoking patients with IDDM, treated with an intensified insulin therapy, and healthy controls. The study design was prospective, cross-sectional and analyst-blinded.

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Dementia affects 5% of persons over age 65 years and 20% of those over 80 years of age and is expected to increase further in the primary care setting as the population ages. The constellation of neuropsychiatric disorders includes dementia, organic personality disorder, and organic psychotic disorder. Dementia is the most prevalent disorder, accounting for approximately 70% of the neuropsychiatric disease of institutionalized patients.

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