Search results for " graph"
showing 10 items of 1277 documents
Mimmo Castellano. The Territories Of The Project / میمو کاستلانو۱ قلمروهای دیزا
2018
وقتی از طراحی میان رشته ای سخن می گوییم، ذهن ها به سمت یکی از نشانه های شاخه های رشته ی دیزاین می رود. این رشته مدت ها با دیگر رشته های علمی و دانش های حرفه ای همراه بوده است و دلیل این امر نیز روح ذاتی و قویِ ارتباطی مکالمه ای آن است. طراحی میان رشته ای ماهیت و ساختاری با مرزهای نامشخص ایجاد کرده است که هر لحظه امکان تغییر آن وجود دارد. این رشته امروزه جایگاه ویژه ای در دیزاین دارد، اما پیش از آنکه با موجودیت مستقل خودش شناخته شود، همواره از طراح در زندگی حرفه ای اش دربرابر نیاز به تحصیلات حمایت کرده و بر ماهیت گروهی این حرفه تأکید داشته است. جیلو دورفلس۳ طراحی میان رشته ای را عامل متمایز کننده ی طراحی صنعتی و دیگر انواع تولید خلاقانه ی پیش از آن می داند. به همین دلیل، بحث درباره ی دیزاین،…
Graph Topology Learning and Signal Recovery Via Bayesian Inference
2019
The estimation of a meaningful affinity graph has become a crucial task for representation of data, since the underlying structure is not readily available in many applications. In this paper, a topology inference framework, called Bayesian Topology Learning, is proposed to estimate the underlying graph topology from a given set of noisy measurements of signals. It is assumed that the graph signals are generated from Gaussian Markov Random Field processes. First, using a factor analysis model, the noisy measured data is represented in a latent space and its posterior probability density function is found. Thereafter, by utilizing the minimum mean square error estimator and the Expectation M…
Verifying a medical protocol with temporal graphs: the case of a nosocomial disease.
2014
Abstract Objective Our contribution focuses on the implementation of a formal verification approach for medical protocols with graphical temporal reasoning paths to facilitate the understanding of verification steps. Materials and methods Formal medical guideline specifications and background knowledge are represented through conceptual graphs, and reasoning is based on graph homomorphism. These materials explain the underlying principles or rationale that guide the functioning of verifications. Results An illustration of this proposal is made using a medical protocol defining guidelines for the monitoring and prevention of nosocomial infections. Such infections, which are acquired in the h…
Data Quality Model-based Testing of Information Systems
2020
This paper proposes a model-based testing approach by offering to use the data quality model (DQ-model) instead of the program’s control flow graph as a testing model. The DQ-model contains definitions and conditions for data objects to consider the data object as correct. The study proposes to automatically generate a complete test set (CTS) using a DQmodel that allows all data quality conditions to be tested, resulting in a full coverage of DQ-model. In addition, the possibility to check the conformity of the data to be entered and already stored in the database is ensured. The proposed alternative approach changes the testing process: (1) CTS can be generated prior to software developmen…
A Bond Graph Approach to Modeling and Simulation of Nonlinear Wind Turbine System
2013
This chapter addresses the problem of bond graph methodology as a graphical approach for modeling of wind turbine generating systems. The purpose of this chapter is to show some of the benefits of the bond graph approach in contributing a model for wind turbine systems. We will present a nonlinear model of a wind turbine generating system, containing pitch, drive train, tower motion and generator. All which will be modeled by means of bond graph. We will especially focus on the drive train, and show the difference between modeling with a classical mechanical method and by using bond graph. The model consists of realistic parameters, but we are not trying to validate a specific wind turbine …
Theoretical prediction of structural, vibrational and NMR parameters of plastic optical fiber (POF) material precursors. Cis and trans perhydro- and …
2014
Abstract Density functional theory (DFT) prediction of cis and trans perhydro- and perfluoro-2-methylene-4,5-dimethyl-1,3-dioxolanes structure, supported by vibrational analysis and calculation of multinuclear isotropic nuclear magnetic resonance (NMR) shieldings and indirect spin–spin couplings (SSCCs) was performed. The performance of the used methodology was verified on 1,3-dioxolane selected as model compound. The structures of hydrogenated and fluorinated monomers of POF materials were calculated using B3LYP and BLYP density functionals combined with 6-311 ++ G(3df,2pd) basis set. The BLYP/6-311++G(3df,2pd) level of theory was suggested for vibrational analysis. Gauge independent atomi…
An enantioselective synthesis of the C(33)–C(37) fragment of Amphotericin B
2003
An enantioselective synthesis of the C(33)–C(37) tripropionate fragment of Amphotericin B has been developed in only 6 steps. Peer reviewed
Improved AMYR program: an algorithm for the theoretical simulation of molecular associations, including geometrical and topological characterization …
1991
Program AMYR, originally written by S. Fraga (University of Alberta, Canada), allows for the calculation of molecular associations using a pair-wise atom-atom potential. The interaction energy is evaluated through a 1/R expansion. Our improved version includes a dispersion energy term in the potential corrected by damping functions, the possibility of carrying out energy minimizations through variable metric methods, as well as the optional calculation of geometrical and topological indices. Program AMYR has been adapted also for high-performance computing and vectorization. An interactive version of the program carries out real-time molecular graphics showing simultaneously the energy prof…
Density functional study of Cu2+-phenylalanine complex under micro-solvation environment
2013
Abstract We present an atomistic study carried out using density functional calculations including structural relaxations and Car–Parrinello Molecular Dynamics (CPMD) simulations, aiming to investigate the structures of phenylalanine-copper (II) ([Phe-Cu] 2+ ) complexes and their micro-solvation processes. The structures of the [Phe-Cu] 2+ complex with up to four water molecules are optimized using the B3LYP/6-311++G** model in gas phase to identify the lowest energy structures at each degree of solvation ( n = 0–4). It is found that the phenylalanine appears to be in the neutral form in isolated and mono-hydrated complexes, but in the zwitterionic form in other hydrated complexes (with n …
A New Heterogeneous Catalyst Obtained via Supramolecular Decoration of Graphene with a Pd2+ Azamacrocyclic Complex
2019
A new G-(H2L)-Pd heterogeneous catalyst has been prepared via a self-assembly process consisting in the spontaneous adsorption, in water at room temperature, of a macrocyclic H2L ligand on graphene (G) (G + H2L = G-(H2L)), followed by decoration of the macrocycle with Pd2+ ions (G-(H2L) + Pd2+ = G-(H2L)-Pd) under the same mild conditions. This supramolecular approach is a sustainable (green) procedure that preserves the special characteristics of graphene and furnishes an efficient catalyst for the Cu-free Sonogashira cross coupling reaction between iodobenzene and phenylacetylene. Indeed, G-(H2L)-Pd shows an excellent conversion (90%) of reactants into diphenylacetylene under mild conditio…