Search results for " dynamics"

A dynamic performance management approach to support local strategic planning

2015

In spite of efforts devoted in the last decades to local strategic planning, such field of research and practice has been frequently characterized by a lack of implementation. We argue here that this phenomenon is due to the limitations of the static and linear approach to local strategic planning in fostering the development of common shared view among policy makers on the relevant system's structure and behavior. By means of a case-study, we illustrate how an approach based on system dynamics modeling applied to Performance Management can be useful to overcome such weaknesses. The proposed approach enhances a better understanding of the causes and effects related to adopted policies, unde…

A System Dynamics approach to improve clinical risk management effectiveness in an italian hospital ward: a case study.

Anomaly detection approach to keystroke dynamics based user authentication

2017

Keystroke dynamics is one of the authentication mechanisms which uses natural typing pattern of a user for identification. In this work, we introduced Dependence Clustering based approach to user authentication using keystroke dynamics. In addition, we applied a k-NN-based approach that demonstrated strong results. Most of the existing approaches use only genuine users data for training and validation. We designed a cross validation procedure with artificially generated impostor samples that improves the learning process yet allows fair comparison to previous works. We evaluated the methods using the CMU keystroke dynamics benchmark dataset. Both proposed approaches outperformed the previou…

Fractal dynamics in chaotic quantum transport

2013

Despite several experiments on chaotic quantum transport in two-dimensional systems such as semiconductor quantum dots, corresponding quantum simulations within a real-space model have been out of reach so far. Here we carry out quantum transport calculations in real space and real time for a two-dimensional stadium cavity that shows chaotic dynamics. By applying a large set of magnetic fields we obtain a complete picture of magnetoconductance that indicates fractal scaling. In the calculations of the fractality we use detrended fluctuation analysis -- a widely used method in time series analysis -- and show its usefulness in the interpretation of the conductance curves. Comparison with a s…

Force Distribution Analysis of Mechanochemically Reactive Dimethylcyclobutene

2013

Internal molecular forces can guide chemical reactions, yet are not straightforwardly accessible within a quantum mechanical description of the reacting molecules. Here, we present a force-matching force distribution analysis (FM-FDA) to analyze internal forces in molecules. We simulated the ring opening of trans-3,4-dimethylcyclobutene (tDCB) with on-the-fly semiempirical molecular dynamics. The self-consistent density functional tight binding (SCC-DFTB) method accurately described the force-dependent ring-opening kinetics of tDCB, showing quantitative agreement with both experimental and computational data at higher levels. Mechanical force was applied in two different ways, namely, exter…

Synchronization of hidden chaotic attractors on the example of radiophysical oscillators

2017

In the present paper we consider the problem of synchronization of hidden and self-excited attractors in the context of application to a system of secure communication. The system of two coupled Chua models was studied. Complete synchronization was observed as for self-excited, as hidden attractors. Beside it for hidden attractors some special type of dynamic was revealed.

Consensus modelling and molecular dynamics studies for the identification of novel telomerase inhibitors as anti-cancer agents

2018

Telomerase plays an important role in early stages of life-maintaing telomere and chromosomal integrity of frequently dividing cells. It turns dormant in most somatic cells during adulthood. However, in cancer cells, telomerase gets reactivated and works tirelessly to maintain the length of telomeres, leading to immortality of cells. Hence, in this study, we have used a combined ligand-based and structure based drug design approach for the identification of novel telomerase inhibitors as anti-cancer agents. We have generated ligand-based QSAR models and structure-based pharmacophores models, according our recent MYSHAPE approach (1), and validated exhaustively. The validated models were use…

Effect of ligand-binding on protein function

2014

Photobleaching and Recovery Kinetics of a Palette of Carbon Nanodots Probed by In Situ Optical Spectroscopy

2022

Carbon dots (CDs) are a family of fluorescent nanoparticles displaying a wide range of interesting properties, which make them attractive for potential applications in different fields like bioimaging, photocatalysis, and many others. However, despite many years of dedicated studies, wide variations exist in the literature concerning the reported photostability of CDs, and even the photoluminescence mechanism is still unclear. Furthermore, an increasing number of recent studies have highlighted the photobleaching (PB) of CDs under intense UV or visible light beams. PB phenomena need to be fully addressed to optimize practical uses of CDs and can also provide information on the fundamental m…

New Insights into Segmental Packing, Chain Dynamics and Thermomechanical Performance of Aliphatic Polyurea Composites: Comparison between Silica Oxid…

2021

Polyurea (PU) is intrinsically reinforced by its microphase-separated morphology, giving its excellent mechanical properties. In this study, it is shown how a high-index PU formulation applies easy diffusion of hard segments into the soft phase of the PU matrix and tune its chain mobility. Moreover, the interaction of micro (>100 nm), nano (<100 nm) fillers with the microdomains and their thermomechanical properties are unraveled. Herein, nanosilica oxide (NS) and micro titanium (III) oxide (Ti2O3) are incorporated at low loadings into a solvent-free two-component aliphatic PU via insitu polymerization. While NS achieves an interfacial interaction with urea groups and forms a tight ha…