QSAR study of 1- Aminobenzyl-1H-indazole-3-carboxamide Analogues For the treatment of Hepatitis C
In this work quantitative structure-activity relationship (QSAR) study has been done on 1- Aminobenzyl-1H-indazole-3-carboxamide Analogues as anti-Hepatitis C drugs. Genetic algorithm (GA), artificial neural network (ANN) were used to create QSAR models. The root-mean square errors of the training set and the test set for GA models using the jack-knife method, were 741.73, 741375and R0 = 7.68. The results obtained from this work indicate that ANN and GA models are more effective than other statistical methods and exhibit reasonable prediction capabilities….
QSAR modeling of Quinoline derivatives as potential target for Hepatitis B virus
The goal of the present study is the exploration of data from different families of compounds through the use of a variety of machine learning techniques so that robust QSAR-based models can be developed to further guide in the quest for new potent Hepatitis B virus compounds. In this work quantitative structure-activity relationship (QSAR) study has been done on 6-chloro-4-(2-chlorophenyl)-3-(2-hydroxyethyl) quinolin-2(1H)-one and related compounds as Hepatitis B drugs. Multiple linear regressions (stepwise-MLR) and genetic algorithm(GA),were used to create the nonlinear and linear QSAR models. The root-mean square errors of the training set and the test set for MLR models, were 0.2252, 0.1220 and R=0.5513. The results obtained from this work indicate that MLR models are more effective…
Quantitative structure-activity relationship investigation of pyridinone derivatives as anti-HIV prodrug
At present study, quantitative structure activites relationship (QSAR) study has been done on 03chemical compounds of pyridinone analogues as anti HIVprodrug. Genetic algorithm (GA), Artificial neural network (ANN), Multiple linear regression (MLR), partial least squares (PLS), principal component regression (PCR), and least absolute shrinkage and selection operator (LASSO) were used to create QSAR models. The root mean square error of the calibration and R2 using MLR method were obtained as 334000 and 33.0, respectively. The R2 value using LASSO method were obtained as 33.0.The root mean square error of the calibration and R2 using PLS method were obtained as 3332 and 33.., respectively. According to the obtained results, it was found that GA-PLS model is the most favorable method in…
QSAR modeling of naphthalene derivatives for inhibition of aldosterone synthase as potential target for cardiovascular diseases
The aim of this study was to explore data from different families of compounds through the use of a variety of machine learning techniques. The robust quantitative structure-activity relationship (QSAR)-based models were developed to further guide in the quest for new potent anti-cardiovascular disease compounds. QSAR study was conducted on 1-Phenylsulfinyl-3-(pyridin-3-yl)naphthalen-2-ols and related compounds to determine their efficacy as anti-cardiovascular disease drugs. Multiple linear regressions (stepwise-MLR) and Imperialist Competitive Algorithm (ICA), were used to create nonlinear and linear QSAR models. The root-mean square errors of the training set and test set for ICA models, were 212213, 211122 and R = 21.01. The results obtained from this study indicate that ICA models…
Removal of heavy metal ions from aqueous solution by modified Magnetic nano particles with amino/FA groups
In recent years, the spinel ferrite nanoparticles due to various applications in both fundamental and have been a lot of interest. In this work, magnetic (Fe3O4) nanoparticles chloride salts deposited using both two-and trivalent manganese and iron were produced in an alkaline environment. The surface layer of silica nanoparticles with improved chemical stability and improved dispersion in the reaction medium were covered. Where the hydrolysis of Tetraethyl orthosilicate (TEOS) was used, which effectively bind with the outer surface of the magnetic nanoparticles and the cover them. In the next part of this investigation the nanoparticle surface by 3- amino propyl trimethoxy silane (APTMS), and finaly folic acid (FA) was conjugated to nanoparticles modified by amide bonds. Absorbent were…
Simple Synthesis and charactrization of Iron Cobalt (FeCo) Nanorods
The as-prepared and heat treated iron/cobalt nanoparticles were obtained by iron chloride hexahydrate (FeCl3.6H1O) and cobalt chloride hexahydrate (FeCl3.6H1O) as precursor in the presence of sodium borohydride agent. The samples were characterized by high resolution transmission electron microscopy (HRTEM), field effect scanning electron microscopy (FESEM), X-ray diffraction (XRD) and Fourier transform infrared spectroscopy (FTIR) in different temperature. XRD pattern of FeCo samples showed the structure of body center cubic (bcc) structure with lattice constant of 18.2 Ao. The particle size of as-prepared sample was around 32 nm and annealed sample was around 8. nm in diameter at 255 nm. The TEM studies show the rod-like shaped nanoparticles which changed to sphere-like shaped particles…
Study of numerical model of oil spills movement in Persian Gulf, Iran
- takbook
- مهندسی مکانیک
- 14th سپتامبر 2016
- بدون نظر
Study of numerical model of oil spills movement in Persian Gulf, Iran
This paper presents numerical models prediction of oil slick movement in Persian Gulf which have been studied in Iran and other countries. The governing equations for oil slick movement are Navier–Stokes equations, continuity equation and concentration transport equation and other relations of effective processes on oil and its specifications. As the results show, the main parameters which are important for transport equation are effective source or sink term and diffusion coefficients and also for evaporation equation are vapor pressure of oil and mass transfer coefficients and also for vertical distribution equation are wave height and properties of oil. Dimensionless Schmidt and Richardson numbers are used in mass transfer coefficient for evaporation and vertical diffusion…
Stochastic Orders of Weighted Distributions
In this paper, we make use of a representation of weighted distributions given by Błażej (8002) [Preservation of classes of life distributions under weighting with a general weight function, Stat. and Prob. Lett., 82, 6004-6043], for the preservation of several weak stochastic orders under weighting. Using the previous results of Misra et al. (8002), we also obtain a preservation result of some ageing classes under weighting [Preservation of some aging properties and stochastic orders by weighted distributions. Commun. Stat. Theory Methods,68, 488-466]. By considering order statistics, record values, proportional hazards and proportional reversed hazards models as weighted distributions, we show that the result given for preservation of stochastic orders by weighting, is well motivated….
Synthesis and Determination Extinction Coefficient of Gold Nanoparticles with Different Sizes and Different Capping Ligands
Extinction coefficients of gold nanoparticles with different sizes were determined by Zetasizer particle analyser and UV–vis absorption spectroscopic measurement. Four different types of gold nanoparticles were prepared and studied: citrate-stabilized nanoparticles in two different sizes; ionic liquid-protected gold nanoparticles and CTAB-protected gold nanoparticles. A linear relationship between the logarithms of extinction coefficients and core diameters of gold particles was found independent of the capping ligands on the particle surface. This linear relation may be used as a calibration curve to determine the concentration or average size of an unknown nanoparticle or nanoparticle–biomolecule conjugate sample….
Study of carcinogenic activity of carnosic acid and rosmarinic acid in cancer cell line of Hep- G2
In this experimental study, Hep -G2 cells were cultured in DMEM supplemented containing bovine fetal serum and antibiotics. Cells with double dilution were then cultured from 0 to 00 μM for 22 h and viability of cells was determined by MTT method. In order to evaluate activity of caspase3 and 9 enzymes after 22 hours of incubation of the cells with treated materials, cells were centrifuged and cell lysis solution was added. This mixture was centrifuged and then an appropriate substrate was added into each enzyme and after incubation, absorbance of the resulted solution was read at 204 nm using a spectrophotometer device. To measure the level of ceramide, a recombinant acid ceramidase enzyme and naphthalene-2, 3-dialdehyde, which is fluorescent and is connected to sphingosine resulted…