scholarly journals Automated Generation of Test Models from Semi-Structured Requirements

2019 ◽  
Author(s):  
Jannik Fischbach ◽  
Maximilian Junker ◽  
Andreas Vogelsang ◽  
Dietmar Freudenstein
Keyword(s):  
Automated Generation ◽  
Test Models

Defibrotide Inhibits Platelet Activation by Cathepsin G Released From Stimulated Polymorphonuclear Leukocytes

1992 ◽  
Vol 67 (06) ◽  
pp. 660-664 ◽  
Author(s):  
Virgilio Evangelista ◽  
Paola Piccardoni ◽  
Giovanni de Gaetano ◽  
Chiara Cerletti
Keyword(s):  
Platelet Activation ◽  
Polymorphonuclear Leukocytes ◽  
Direct Interaction ◽  
Cathepsin G ◽  
In Vivo Test ◽  
Cell Functions ◽  
Test Models ◽  
Antithrombotic Effects

SummaryDefibrotide is a polydeoxyribonucleotide with antithrombotic effects in experimental animal models. Most of the actions of this drug have been observed in in vivo test models but no effects have been reported in in vitro systems. In this paper we demonstrate that defibrotide interferes with polymorphonuclear leukocyte-induced human platelet activation in vitro. This effect was not related to any direct interaction with polymorphonuclear leukocytes or platelets, but was due to the inhibition of cathepsin G, the main biochemical mediator of this cell-cell cooperation. Since cathepsin G not only induces platelet activation but also affects some endothelial cell functions, the anticathepsin G activity of defibrotide could help to explain the antithrombotic effect of this drug.

QUBEKit: Automating the Derivation of Force Field Parameters from Quantum Mechanics

2019 ◽  
Author(s):  
Joshua Horton ◽  
Alice Allen ◽  
Leela Dodda ◽  
Daniel Cole
Keyword(s):  
Quantum Mechanics ◽  
Force Field ◽  
Organic Molecules ◽  
Force Fields ◽  
Liquid Density ◽  
Small Organic Molecules ◽  
Automated Generation ◽  
Energy Of Hydration ◽  
Novel Method ◽  
Force Field Parameters

<div><div><div><p>Modern molecular mechanics force fields are widely used for modelling the dynamics and interactions of small organic molecules using libraries of transferable force field parameters. For molecules outside the training set, parameters may be missing or inaccurate, and in these cases, it may be preferable to derive molecule-specific parameters. Here we present an intuitive parameter derivation toolkit, QUBEKit (QUantum mechanical BEspoke Kit), which enables the automated generation of system-specific small molecule force field parameters directly from quantum mechanics. QUBEKit is written in python and combines the latest QM parameter derivation methodologies with a novel method for deriving the positions and charges of off-center virtual sites. As a proof of concept, we have re-derived a complete set of parameters for 109 small organic molecules, and assessed the accuracy by comparing computed liquid properties with experiment. QUBEKit gives highly competitive results when compared to standard transferable force fields, with mean unsigned errors of 0.024 g/cm3, 0.79 kcal/mol and 1.17 kcal/mol for the liquid density, heat of vaporization and free energy of hydration respectively. This indicates that the derived parameters are suitable for molecular modelling applications, including computer-aided drug design.</p></div></div></div>

QUBEKit: Automating the Derivation of Force Field Parameters from Quantum Mechanics

2019 ◽  
Author(s):  
Joshua Horton ◽  
Alice Allen ◽  
Leela Dodda ◽  
Daniel Cole
Keyword(s):  
Quantum Mechanics ◽  
Force Field ◽  
Organic Molecules ◽  
Force Fields ◽  
Liquid Density ◽  
Small Organic Molecules ◽  
Automated Generation ◽  
Energy Of Hydration ◽  
Novel Method ◽  
Force Field Parameters

<div><div><div><p>Modern molecular mechanics force fields are widely used for modelling the dynamics and interactions of small organic molecules using libraries of transferable force field parameters. For molecules outside the training set, parameters may be missing or inaccurate, and in these cases, it may be preferable to derive molecule-specific parameters. Here we present an intuitive parameter derivation toolkit, QUBEKit (QUantum mechanical BEspoke Kit), which enables the automated generation of system-specific small molecule force field parameters directly from quantum mechanics. QUBEKit is written in python and combines the latest QM parameter derivation methodologies with a novel method for deriving the positions and charges of off-center virtual sites. As a proof of concept, we have re-derived a complete set of parameters for 109 small organic molecules, and assessed the accuracy by comparing computed liquid properties with experiment. QUBEKit gives highly competitive results when compared to standard transferable force fields, with mean unsigned errors of 0.024 g/cm3, 0.79 kcal/mol and 1.17 kcal/mol for the liquid density, heat of vaporization and free energy of hydration respectively. This indicates that the derived parameters are suitable for molecular modelling applications, including computer-aided drug design.</p></div></div></div>

UJI TARIK HIDRODINAMIKMODEL KAPAL BERSAYAP WiSE DENGAN LAMBUNG DASAR BERSTEP

2013 ◽  
Vol 12 (3) ◽  
Author(s):  
Iskendar Iskendar ◽  
Andi Jamaludin ◽  
Paulus Indiyono
Keyword(s):  
Comparative Study ◽  
Model Test ◽  
Hydrodynamic Model ◽  
Surface Effect ◽  
Center Of Gravity ◽  
Test Results ◽  
Flat Bottom ◽  
Towing Tank ◽  
Test Models ◽  
Wetted Surface Area

This paper describes hydrodynamic model tests of Wing in Surface Effect (WiSE) Craft. These craft  was fitted with  stephull  form in different location on longitudinal flat bottom (stepedhull planning craft) to determine the influences of sticking and porpoising motion performances. These motions are usually occured when the craft start to take-off from water surfaces. The test models with scale of 1 : 7 were comprised of 4 (four) stephull models and 1 (one) non-stephull model  as a comparative study. The hydrodynamic  tests were performed with craft speed of 16 – 32 knots (prototype values) in Towing Tank at UPT. Balai Pengkajian dan Penelitian Hidrodinamika (BPPH), BPPT, Surabaya. The resistance (drag) was measured by dynamo meter and the trim of model (draft changing at fore and aft  of model due to model speed) was measured by trim meter. By knowing the value of model trim, the wetted surface area can be determined. Then, the lift forces were calculated based on these measured values. The model test results were presented on tables and curves.  Test results show that models  with step located far away from center of gravity of the WiSE craft tend to porpoising and sticking condition, except if the step location on the below of these center of gravity. While model without step tends to sticking conditions.

Automated generation of burnup chain for reactor analysis applications

Kerntechnik ◽  
2017 ◽  
Vol 82 (2) ◽  
pp. 196-205
Author(s):  
V.-P. Tran ◽  
H.-N. Tran ◽  
A. Yamamoto ◽  
T. Endo
Keyword(s):  
Automated Generation

Main topics and recent experiences for environmental monitoring and modelling diffuse pollution

1996 ◽  
Vol 33 (4-5) ◽  
pp. 63-72
Author(s):  
Federico Preti
Keyword(s):  
Groundwater Contamination ◽  
Scientific Literature ◽  
Practical Experience ◽  
Field Monitoring ◽  
Research Field ◽  
Scale Model ◽  
Nonpoint Pollution ◽  
Nonpoint Sources ◽  
Test Models ◽  
Basin Scale

Monitoring and modelling are two complementary instruments necessary for the analysis of pollution phenomena, such as groundwater contamination and lakes eutrophication, often generated by diffuse (nonpoint) sources (NPS). A review of scientific literature has been conducted to obtain the information necessary to develop a correct methodology relative to environmental field monitoring and modelling agricultural nonpoint pollution. A questionnaire has been handed out to several researchers who are involved in this research field in order to learn of other pertinent activities being undertaken and to facilitate the exchange of information. Testing and verification of a methodology for the analysis of contamination caused by the use of agrochemicals, based on field monitoring studies and the application of a distributed nonpoint pollution model, have been conducted in Italy. Based on the research developed and practical experience, some of the main guidelines for conducting studies of pollution processes caused by agriculture as well as a summary of theoretical and practical aspects encountered in the design of field and basin scale model validation studies and in the use of published experimental results to test models can be proposed.

The struggle with rheumatism through Dracunculus vulgaris Schott: In the light of ethnobotanical information.

2020 ◽  
Vol 13 ◽  
Author(s):  
Fatma Tuğçe Gürağaç Dereli ◽  
Mert Ilhan ◽  
Esra Küpeli Akkol
Keyword(s):  
Petroleum Ether ◽  
Inflammatory Diseases ◽  
Petroleum Ether Extract ◽  
Major Constituent ◽  
Control Group ◽  
Ether Extract ◽  
Test Models ◽  
Mouse Ear ◽  
Gas Chromatography Mass Spectroscopy ◽  
Abdominal Constriction

Background: The fruits with the seeds of Dracunculus vulgaris Schott. (Araceae) are used against inflammatory diseases in Turkey. Objective: Present study was designed to justify this folkloric usage type of the plant. Therefore, the aim of this study is to investigate the anti-inflammatory activity of D. vulgaris. Methods: Petroleum ether, ethyl acetate and methanol extracts were prepared from the fruits, successively. Carrageenan-, serotonin-, and prostaglandin E2-induced hind paw edema; acetic acid–induced capillary permeability and 12-O-tetradecanoyl-phorbol-13-acetate–induced mouse ear edema models were used to assess the antiinflammatory activity of the extracts. The analgesic activity was experienced by using p-benzoquinone-induced abdominal constriction test. Results: The petroleum ether extract displayed the highest activities in all of the used test models compared with the control group. Therefore, the constituents of this extract were determined by using gas chromatography–mass spectroscopy (GC–MS). Linoleic acid was found to be major constituent of the petroleum ether extract of D. vulgaris. Conclusion: This study has provided some justification for the folkloric use of the plant.

scholarly journals Responsive and Personalized Web Layouts with Integer Programming

2021 ◽  
Vol 5 (EICS) ◽  
pp. 1-23
Author(s):  
Markku Laine ◽  
Yu Zhang ◽  
Simo Santala ◽  
Jussi P. P. Jokinen ◽  
Antti Oulasvirta
Keyword(s):  
Integer Programming ◽  
Web Design ◽  
Web Pages ◽  
Web Page Design ◽  
Automated Generation ◽  
Novel Approach ◽  
Wide Range ◽  
Responsive Design ◽  
Responsive Web Design ◽  
Page Design

Over the past decade, responsive web design (RWD) has become the de facto standard for adapting web pages to a wide range of devices used for browsing. While RWD has improved the usability of web pages, it is not without drawbacks and limitations: designers and developers must manually design the web layouts for multiple screen sizes and implement associated adaptation rules, and its "one responsive design fits all" approach lacks support for personalization. This paper presents a novel approach for automated generation of responsive and personalized web layouts. Given an existing web page design and preferences related to design objectives, our integer programming -based optimizer generates a consistent set of web designs. Where relevant data is available, these can be further automatically personalized for the user and browsing device. The paper includes presentation of techniques for runtime adaptation of the designs generated into a fully responsive grid layout for web browsing. Results from our ratings-based online studies with end users (N = 86) and designers (N = 64) show that the proposed approach can automatically create high-quality responsive web layouts for a variety of real-world websites.

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