Investigation into the Reactivity of Pentafluorophenyl Vinylsulfonate in the Formation of Functionalized Sulfonamides of Biological Importance
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An insight into effect of surface functional groups on reactivity of Sphalerite (110) surface with Xanthate collector: a DFT study
The reactivity of the protonated and hydroxylated sphalerite (1 1 0) surface with xanthate was simulated using the density functional theory (DFT). The difference between the energy of the lowest unoccupied molecular orbital of the sphalerite surface and the energy of the highest occupied molecular orbital of xanthate ( was used to compare the reaction capability of xanthate with fresh and fun...
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Background: In recent years, advances in nanotechnology presents opportunities to overcome limitations in targeted drug delivery. Nano drug carriers have the ability to change the pharmacokinetics of drugs and can improve efficacy and reduce side effects. The objective of the present work is to study the interaction of Hydralazine with functionalized carbon nanotubes by performing density funct...
متن کاملFacile Knoevenagel condensation Using Sulfonic Acid Functionalized Nanoporous silica (SBA-Pr-SO3H)
Knoevenagel condensation between barbituric acid and aldehyde was investigated in the presence of sulfonic acid functionalized nanoporous silica (SBA-Pr-SO3H) and resulted in the formation of arylidene and bis-arylidene barbiturates. Excellent yields and short reaction times are related to the high efficiency of SBA-Pr-SO3H that the reactions take place easily in its nano-pores. SBA-Pr-SO3H as ...
متن کاملFacile Knoevenagel condensation Using Sulfonic Acid Functionalized Nanoporous silica (SBA-Pr-SO3H)
Knoevenagel condensation between barbituric acid and aldehyde was investigated in the presence of sulfonic acid functionalized nanoporous silica (SBA-Pr-SO3H) and resulted in the formation of arylidene and bis-arylidene barbiturates. Excellent yields and short reaction times are related to the high efficiency of SBA-Pr-SO3H that the reactions take place easily in its nano-pores. SBA-Pr-SO3H as ...
متن کاملThe effect of halogen atoms at propanoate anion on thermo physical, vibrational spectroscopy, chemical reactivity, biological properties of morpholinium propionate Ionic Liquid
The morpholinium cation based ionic liquids are designed to evaluate the thermophysical, chemical reactivity, and biological activity. To estimate and design the bioactive ILs, propionate and trihalopropanoate were considered under theoretical study by Density Functional Theory (DFT). To make effect of halogens atom on anion, propionate, trifluro propionate, trichloro propionate, and tribromo p...
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تاریخ انتشار 2013