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Rafiee, Marjan A.,Partoee, Tayyebe Korean Chemical Society 2011 Bulletin of the Korean Chemical Society Vol.32 No.1
In this work, the calculated nuclear quadrupole coupling constants of $^{17}O$ in some styrylquinoline conformers were presented. The calculations were carried out to find the relationships between the charge distribution of styrylquinolines and their pharmaceutical behavior and to explore the differences among the electronic structures of some conformers of these potent HIV IN inhibitors. Furthermore, the HIV IN inhibitory of R1 and R2 rotamers was compared. On the basis of our results: - Charge density on oxygen atoms of carboxyl moiety has a dominant role in the drug activity. - The a conformer in which a divalent hydrogen atom is a link, has more capability in antiviral drug treatment. - The R1 conformer, as a $Mg^{+2}$ chelating agent, is better than R2 conformer and thus it is more inhibitor of HIV IN.
Marjan A. Rafiee,Tayyebe Partoee 대한화학회 2011 Bulletin of the Korean Chemical Society Vol.32 No.1
In this work, the calculated nuclear quadrupole coupling constants of ^17O in some styrylquinoline conformers were presented. The calculations were carried out to find the relationships between the charge distribution of styrylquinolines and their pharmaceutical behavior and to explore the differences among the electronic structures of some conformers of these potent HIV IN inhibitors. Furthermore, the HIV IN inhibitory of R1 and R2 rotamers was compared. On the basis of our results: - Charge density on oxygen atoms of carboxyl moiety has a dominant role in the drug activity. - The a conformer in which a divalent hydrogen atom is a link, has more capability in antiviral drug treatment. - The R1 conformer, as a Mg^+2 chelating agent, is better than R2 conformer and thus it is more inhibitor of HIV IN.
Comparison of Numerical Simulation and Experiment of Designed Vortex Type Micro hydro Water Turbine
Ema Amalia,Hendarko,Muhammad N Hamzah,Faridl A Maulana,Farhan H Budisatrio,Muhammad Rafie,Mochammad A Moelyadi 한국유체기계학회 2022 International journal of fluid machinery and syste Vol.15 No.3
Vortex type's micro hydro water turbine is a new technology for harvesting energy from water which the performance is still providing more c hallenge . After h aving designed the vortex type water turbine in previous work, a laboratory scale experimental apparatus is built to prove the design and to val idate numerical simulations of the turbine The important design parameters such as torque, powe r, and efficiency are considered. It is found that the CFD results gives higher t orque , power, and efficiency compared to experiments results with a similar tren d This is due to no feature in the used CFD software in evaluating mechanical friction that ha ppened in experim ents device , for more specific in torque meter used Head of CFD for discharge of 2.7 L/s and 2.8 L/s are 0.06 m and 0.06 m while from experimen t is 0.07 m and 0.072 respectively. A NSYS has been used for CFD simulation.
Optimum design of steel frames with semi-rigid connections using Big Bang-Big Crunch method
A. Rafiee,S. Talatahari,A. Hadidi 국제구조공학회 2013 Steel and Composite Structures, An International J Vol.14 No.5
The Big Bang-Big Crunch (BB-BC) optimization algorithm is developed for optimal design of non-linear steel frames with semi-rigid beam-to-column connections. The design algorithm obtains the minimum total cost which comprises total member plus connection costs by selecting suitable sections. Displacement and stress constraints together with the geometry constraints are imposed on the frame in the optimum design procedure. In addition, non-linear analyses considering the P-Δ effects of beam-column members are performed during the optimization process. Three design examples with various types of connections are presented and the results show the efficiency of using semi-rigid connection models in comparing to rigid connections. The obtained optimum semi-rigid frames are more economical solutions and lead to more realistic predictions of response and strength of the structure.
Shariati, Mahdi,Rafie, Shervin,Zandi, Yousef,Fooladvand, Rouhollah,Gharehaghaj, Behnam,Mehrabi, Peyman,Shariat, Ali,Trung, Nguyen Thoi,Salih, Musab N.A.,Poi-Ngian, Shek Techno-Press 2019 Advances in concrete construction Vol.8 No.3
Although applying self-consolidating concrete (SCC) in many modern structures is an inevitable fact, the high consumption of cement in its mixing designs has led to increased production costs and adverse environmental effects. In order to find economically viable sources with environmentally friendly features, natural pozzolan pumice and blast furnace slag in 10-50% of replacement binary designs have been investigated for experiments on the properties of fresh concrete, mechanical properties, and durability. As a natural pozzolan, pumice does not require advanced equipment to prepare for consumption and only needs to be powdered. Pumice has been the main focus of this research because of simple preparation. Also to validate the results, in addition to the control specimens of each design, fly ash as a known powder has been evaluated. Moreover, ternary mixes of pumice and silica fume were investigated to enhance the obtained results of binary mixes. It was concluded that pumice and slag powders indicated favorable performance in the high percentage of replacement.