Formation and Stability of Substituted Pyromorphite: a Molecular Modeling Study
نویسندگان
چکیده
2-1 Volume Three FORMATION AND STABILITY OF SUBSTITUTED PYROMORPHITE: A MOLECULAR MODELING STUDY Abhijit V. Shevade, Larry Erickson, Gary Pierzynski, and Shaoyi Jiang Department of Chemical Engineering, Kansas State University, Manhattan, KS 66506; Phone: 785-532-5584; Fax: 785-532-7372; Department of Agronomy, Kansas State University, Manhattan, KS 66506; Phone: 785-532-7209; Fax: 785-532-6094.
منابع مشابه
CFD modeling for selective formation of propylene from methanol over synthesized Mn-substituted MFI metallosilicate catalyst
The high silica Mn-substituted MFI metallosilicate catalyst with Si/Al molar ratio of 220 and Si/Mn molar ratio of 50 was successfully synthesized by hydrothermal method. The catalyst sample was appropriately characterized by XRD, FE-SEM, EDX and BET techniques. The Mn-substituted MFI metallosilicate has not been reported as the potential catalyst for the methanol to propylene (MTP) reaction. T...
متن کاملPb remobilization by bacterially mediated dissolution of pyromorphite Pb5(PO4)3Cl in presence of phosphate-solubilizing Pseudomonas putida
Remediation of lead (Pb)-contaminated sites with phosphate amendments is one of the best studied and cost-effective methods for in situ immobilization. In this treatment, a very stable mineral, pyromorphite Pb5(PO4)3Cl, is formed. Several studies propose to improve this treatment method with the addition of phosphate-solubilizing bacteria (PSB). The effect of bacteria on solubilization of pyrom...
متن کاملModeling and interactions analysis of the novel antagonist agent flibanserin with 5-hydroxytryptamine 2A (5-HT2A) serotonin receptor as a HSDD treatment in premenopausal women
Flibanserin is a novel antagonist small molecule to treat the hypoactive sexual desire disorder (HSDD) in the premenopausal women. The present article is related to the structural and electronic properties study and docking analysis of the title compound with 5-hydroxytryptamine 2A (5-HT2A) serotonin receptor. To access these aims, the molecular structure of the said compound was optimized usin...
متن کاملStudies on inclusion complexes of 2-[Substituted arylideamino]-1, 3, 4-thiadiazino [6,5b]indole with β- Cyclodextrin
Inclusion complexes of 2-[Arylidenamino]-1,3,4-thiadiazino[6,5b]indoles have been prepared with β-cyclodextrin so as to increase the solubility of these compounds in polar medium which may increase theirbioaccessibility. The formation of inclusion complexes is known from the study of changes in physical andspectral properties of the compounds. The stability of the inclusion complexes has been s...
متن کاملMolecular Docking and In Silico Study of Denileukin Diftitox: Comparison of Wild Type With C519S-Mutant
Background: Denileukin diftitox (trade name, Ontak) is the first recombinant immunotoxin (IM), in which the binding domain of diphtheria toxin has been replaced by the amino acid sequence of human interleukin-2 (DT389IL-2) using genetic engineering. Purity, stability, and structural property of the protein are critical factors for the scale-up production of this fusion protein. In this IM, loca...
متن کامل