Search results for "Computer Science Applications"
showing 10 items of 3993 documents
Chemistry Explained by Topology: An Alternative Approach
2011
Molecular topology can be considered an application of graph theory in which the molecular structure is characterized through a set of graph-theoretical descriptors called topological indices. Molecular topology has found applications in many different fields, particularly in biology, chemistry, and pharmacology. The first topological index was introduced by H. Wiener in 1947 [1]. Although its very first application was the prediction of the boiling points of the alkanes, the Wiener index has demonstrated since then a predictive capability far beyond that. Along with the Wiener index, in this paper we focus on a few pioneering topological indices, just to illustrate the connection between p…
Topological Approach to Drug Design
1995
In this paper we demonstrated that by an adequate combination of different topological indices it is possible to select and design new active compounds in different therapeutical scopes, with a very high efficiency level. Particularly successful in the search of new "lead drugs", the results show the surprising ability of the topological methods to describe molecular structures.
The triad hsp60-mirnas-extracellular vesicles in brain tumors: Assessing its components for understanding tumorigenesis and monitoring patients
2021
Brain tumors have a poor prognosis and progress must be made for developing efficacious treatments, but for this to occur their biology and interaction with the host must be elucidated beyond current knowledge. What has been learned from other tumors may be applied to study brain tumors, for example, the role of Hsp60, miRNAs, and extracellular vesicles (EVs) in the mechanisms of cell proliferation and dissemination, and resistance to immune attack and anticancer drugs. It has been established that Hsp60 increases in cancer cells, in which it occurs not only in the mitochondria but also in the cytosol and plasma-cell membrane and it is released in EVs into the extracellular space and in cir…
Predicting Skin Permeability by Means of Computational Approaches: Reliability and Caveats in Pharmaceutical Studies
2019
The skin is the main barrier between the internal body environment and the external one. The characteristics of this barrier and its properties are able to modify and affect drug delivery and chemical toxicity parameters. Therefore, it is not surprising that permeability of many different compounds has been measured through several in vitro and in vivo techniques. Moreover, many different in silico approaches have been used to identify the correlation between the structure of the permeants and their permeability, to reproduce the skin behavior, and to predict the ability of specific chemicals to permeate this barrier. A significant number of issues, like interlaboratory variability, experim…
Micelles, Rods, Liposomes, and Other Supramolecular Surfactant Aggregates: Computational Approaches
2017
Surfactants are an interesting class of compounds characterized by the segregation of polar and apolar domains in the same molecule. This peculiarity makes possible a whole series of microscopic and macroscopic effects. Among their features, their ability to segregate particles (fluids or entire domains) and to reduce the surface/interfacial tension is the utmost important. The interest in the chemistry of surfactants never weakened; instead, waves of increasing interest have occurred every time a new field of application of these molecules has been discovered. All these special characteristics depend largely on the ability of surfactants to self-assemble and constitute supramolecular struc…
Contribution to a marker-free system for human motion analysis
2002
This paper presents a novel approach to human gait analysis using a marker-free system. The devised acquisition system is composed of three synchronized and calibrated charge coupled device cameras. The aim of this work is to recognize in gray level image sequences the leg of a walking human and to reconstruct it in the three-dimensional space. An articulated threedimensional (3D) model of the human body, based on the use of tapered superquadric curves, is first introduced. A motion-based segmentation, using morphological operators, is then applied to the image sequences in order to extract the boundaries of the leg in motion. A reconstruction process, based on the use of a least median of …
A 3-D marker-free system for the analysis of movement disabilities--an application to the legs.
2001
The aim of this paper is to describe an approach allowing the analysis of human motion in three-dimensional (3-D) space. The system that we developed is composed of three charge-coupled-device cameras that capture synchronized image sequences of a human body in motion without the use of markers. Characteristic points belonging to the boundaries of the body in motion are first extracted from the initial images. Two-dimensional superquadrics are then adjusted on these points by a fuzzy clustering process. After that, the position of a 3-D model based on a set of articulated superquadrics, each of them describing a part of the human body, is reconstructed. An optical flow process allows the pr…
Multiple modular very long instruction word processors based on field programmable gate arrays
2007
Modern field programmable gate array (FPGA) chips, with their large memory capacity and reconfigurability potential, are opening new frontiers in rapid prototyping of embedded systems. With the advent of high-density FPGAs, it is now possible to implement a high-performance very long instruction word (VLIW) processor core in an FPGA. This paper describes research results about enabling the DSP TMS320 C6201 model for real-time image processing applications by exploiting FPGA technology. We present a modular DSP C6201 VHDL model with a variable instruction set. We call this new development a minimum mandatory modules (M3) approach. Our goals are to keep the flexibility of DSP in order to shor…
Multimedia application to support distance learning and other social interactions in real-time
2000
Supporting social interactions, in distance learning situations for example, with modern technology is very difficult. Generally Internet, networked PC, document handling and communication services and applications are not designed from a multiple user perspective but to support a one-person-one-device (or tool) interaction. This approach creates problems for supporting awareness of, and communication with other people while simultaneously working on documents. Such simultaneous activities have been identified as essential by CSCW and CHI studies, where users are reported to move promiscuously between media and devices, and combine applications and media intuitively, while maintaining aware…
Applying a web-based training to foster self-regulated learning — Effects of an intervention for large numbers of participants
2016
Trainings on self-regulated learning (SRL) have been shown to be effective in improving both competence of self-regulated learning and objective measures of performance. However, human trainers can reach only a limited number of people at a time. Web-based trainings (WBT) could improve efficiency, as they can be distributed to potentially unlimited numbers of participants. We developed a WBT based on the process model of SRL by Schmitz and Wiese (2006) and tested it with 211 university students in a randomized control evaluation study including additional process analyses of learning diaries. Results showed that the training had significant effects on SRL knowledge, SRL behavior measured by…