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- 저자 : Pirhadi, Somayeh (검색결과 5 건)
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3D-QSAR Studies of 2-Arylbenzoxazoles as Novel Cholesteryl Ester Transfer Protein Inhibitors
Ghasemi, Jahan B.,Pirhadi, Somayeh,Ayati, Mahnaz Korean Chemical Society 2011 Bulletin of the Korean Chemical Society Vol.32 No.2
The 3D-QSAR study of 2-arylbenzoxazoles as novel cholesteryl ester transfer protein inhibitors was performed by comparative molecular field analysis (CoMFA), CoMFA region focusing (CoMFA-RF) for optimizing the region for the final PLS analysis, and comparative molecular similarity indices analysis (CoMSIA) methods to determine the factors required for the activity of these compounds. The best orientation was searched by all-orientation search strategy using AOS, to minimize the effect of the initial orientation of the structures. The predictive ability of CoMFARF and CoMSIA were determined using a test set of twelve compounds giving predictive correlation coefficients of 0.886, and 0.754 respectively indicating good predictive power. Further, the robustness and sensitivity to chance correlation of the models were verified by bootstrapping and progressive scrambling analyses respectively. Based upon the information derived from CoMFA(RF) and CoMSIA, identified some key features that may be used to design new inhibitors for cholesteryl ester transfer protein.
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3D-QSAR Studies of 2-Arylbenzoxazoles as Novel Cholesteryl Ester Transfer Protein Inhibitors
Jahan B. Ghasemi,Mahnaz Ayati,Somayeh Pirhadi 대한화학회 2011 Bulletin of the Korean Chemical Society Vol.32 No.2
The 3D-QSAR study of 2-arylbenzoxazoles as novel cholesteryl ester transfer protein inhibitors was performed by comparative molecular field analysis (CoMFA), CoMFA region focusing (CoMFA-RF) for optimizing the region for the final PLS analysis, and comparative molecular similarity indices analysis (CoMSIA) methods to determine the factors required for the activity of these compounds. The best orientation was searched by all-orientation search strategy using AOS, to minimize the effect of the initial orientation of the structures. The predictive ability of CoMFARF and CoMSIA were determined using a test set of twelve compounds giving predictive correlation coefficients of 0.886, and 0.754 respectively indicating good predictive power. Further, the robustness and sensitivity to chance correlation of the models were verified by bootstrapping and progressive scrambling analyses respectively. Based upon the information derived from CoMFA(RF) and CoMSIA, identified some key features that may be used to design new inhibitors for cholesteryl ester transfer protein.
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Pooria Rahmani,Akbar Shojaei,Nahid Pirhady Tavandashti 한국공업화학회 2020 Journal of Industrial and Engineering Chemistry Vol.83 No.-
In the present study, thermally oxidized nanodiamond (OND) wasfirst modified non-covalently withdodecylamine (DDA) as corrosion inhibitor. In this respect, reactive primary amine of DDA molecule withhigh isoelectric point (IEP) could interact easily with negative charge carboxylic acid groups of OND. Fourier transform infrared spectroscopy (FTIR) and thermogravimetric analysis (TGA) proved that ONDnanoparticle was successfully functionalized by DDA up to approximately 5 wt% grafting contnet. BothOND and dodecylamine modified OND (DND) were loaded in epoxy (EP)/polyamine hardener matrix atthe same concentration of 1 wt% and applied on mild steel substrate. Morphology of EP-DND and EP-ONDinvestigated byfield emission-scanning electron microscopy (FE-SEM) suggested well nano dispersion ofDND in EP matrix. A detailed electrochemical impedance spectroscopy (EIS) analysis showed that lowfrequency impedance of EP-DND after 30 days immersion in 3.5 wt% NaCl solution is at least one order ofmagnitude higher than EP-OND and pure epoxy. Such superior corrosion protection behavior wasassociated to effective barrier properties of EP-DND against corrosive species caused by well dispersion ofDND and efficient interaction within epoxy matrix as well as pH responsive release of DDA as corrosioninhibitor from nanodiamond surface.
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Generalized hyperbolic geometric flow
Shahroud Azami,Ghodratallah Fasihi-Ramandi,Vahid Pirhadi 대한수학회 2023 대한수학회논문집 Vol.38 No.2
In the present paper, we consider a kind of generalized hyperbolic geometric flow which has a gradient form. Firstly, we establish the existence and uniqueness for the solution of this flow on an $n$-dimensional closed Riemannian manifold. Then, we give the evolution of some geometric structures of the manifold along this flow.
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Prediction of Tubular T/Y-Joint SIF by GA-BP Neural Network
Xiao Li,Shier Dong,Hazem Samih Mohamed,Ghiath Al Aqel,Nima Pirhadi 대한토목학회 2020 KSCE JOURNAL OF CIVIL ENGINEERING Vol.24 No.9
In fracture mechanics, the fatigue evaluation depends on the precise provisions of the stress intensity factor (SIF), which is a quantitative factor established to evaluate the effect of stresses along the crack front. Stress intensity factor performs a definitive role in reflecting material fracture and estimating fatigue life of tubular joints. Some researchers have proposed a series of parametric equations to predict SIF values; however, it gave arguably inaccurate results. There is still a need to improve the accuracy of the SIF prediction’s equation. Thus, to overcome this shortage, this study introduced back-propagation (BP) neural network with conjunction to genetic algorithm (GA) (GA-BP) in predicting the SIF of cracked tubular T/Y-joint. To train and verify the results of the hybrid algorithm GA-BP, SIFs' database covers a wide variety of cracked tubular T/Y joints were simulated by ABAQUS and verified against experimental results. Meanwhile, the SIFs' result produced by the GA-BP optimization method were compared with those SIF calculated from the accessible parametric equations. The comparison indicated that the GA-BP neural network optimization method is reliable, precise and capable tool in calculating the SIFs of cracked T/Y joints and it also provides higher accuracy than common methods.
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