Synthesis of aluminum phosphate molecular sieves using cobalticinium hydroxide

“Scaffold-Hopping” by Topological Pharmacophore Search: A Contribution to Virtual Screening

“…[8] The CATS system was able to rank 15 out of 29 (52 %) annotated thrombin inhibitors among the top 100 potential hits. For comparison, the commercially available search tool MERLIN (Daylight Chemical Information Systems Inc., Irvine, CA, USA)Ðwhich is based on Daylights definition of topological fingerprintsÐretrieved only 12 (41 %) known inhibitors among the top 100.…”

“…[7] The constitution of the compounds 3 and 5 is derived from analytical and spectroscopic data. [8] The neighborhood of the phenyl group to the pyrrole-N atom becomes evident from the d( 13 C) values of C4 and C3 in 3 b (C2 and C3 in 5), which were determined to be 110.1 and 115.1 (114.2 and 119.2). These values correspond much better to the calculated chemical shifts [9] of 112.7 and 117.9 (117.4 and 120.0) than those of the isomeric structure in which the phenyl and benzoylmethyl groups are exchanged: 106.5 and 124.7 (127.5 [a] After short heating (150 8C) of the 1:1 mixture (78 %; solution) or 2:3 mixture (solid) of 3 c and 8 c.…”

“Scaffold-Hopping” by Topological Pharmacophore Search: A Contribution to Virtual Screening

“…As a simple retrospective test of CATS we used the thrombin inhibitor PPACK as a query structure to search for other known thrombin inhibitors in the MEDCHEM library (version 1997, as distributed by Daylight Chemical Information Systems Inc., Irvine, CA, USA) containing approximately 33 000 molecules. [8] The CATS system was able to rank 15 out of 29 (52 %) annotated thrombin inhibitors among the top 100 potential hits. For comparison, the commercially available search tool MERLIN (Daylight Chemical Information Systems Inc., Irvine, CA, USA)Ðwhich is based on Daylights definition of topological fingerprintsÐretrieved only 12 (41 %) known inhibitors among the top 100.…”

Kombinatorische Methoden zur Synthese von Alumophosphatmolekularsieben

“…Von besonderem Interesse ist der Einfluû der Kombination von metallorganischen ([Co(Cp) 2 ]OH, Cp Cyclopentadienyl) und organischen (Pr 2 NH) strukturdirigierenden Reagentien auf die Strukturen der entstehenden Alumophosphate unter Berücksichtigung der unterschiedlichen Gröûe und Flexibilität der metallorganischen Komponente. Alumophosphate vom AFI-(AlPO 4 -5 [8] ) und AST-Typ (AlPO 4 -16 [9] [10] hergestellt. Cyclopentadien (CpH) wurde aus dem Dimer erhalten.…”

“…[11] [Co(Cp) 2 ]OH-Lösungen wurden durch Ionenaustausch hergestellt. [8] [Co(Cp) 2 ]PF 6 (3.24 g, 10 mmol) wurde in Wasser ( Lösungsmittelfreie Reaktionen von Festkörpern mit Festkörpern nutzen Kristallpackungseffekte und sind meistens hochselektiv. [1,2] Anders als bei Gas/Festkörperreaktionen [3] gibt es auf diesem Gebiet noch keine Vielstufensynthesen.…”