Search Results - "Roe, DC"

The F/Ph Rearrangement Reaction of [(Ph3P)3RhF], the Fluoride Congener of Wilkinson's Catalyst by Macgregor, Stuart A, Roe, D. Christopher, Marshall, William J, Bloch, Karen M, Bakhmutov, Vladimir I, Grushin, Vladimir V

“…The fluoride congener of Wilkinson's catalyst, [(Ph3P)3RhF] (1), has been synthesized and fully characterized. Unlike Wilkinson's catalyst, 1 easily activates…”
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Gas-Phase NMR Technique for Studying the Thermolysis of Materials:  Thermal Decomposition of Ammonium Perfluorooctanoate by Krusic, Paul J, Roe, D. Christopher

“…The kinetics of the thermal decomposition of ammonium perfluorooctanoate (APFO) has been studied by high-temperature gas-phase nuclear magnetic resonance…”
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Gas-phase NMR studies of the thermolysis of perfluorooctanoic acid by Krusic, Paul J., Marchione, Alexander A., Roe, D. Christopher

“…The thermolysis of perfluorooctanoic acid (CF 3(CF 2) 6COOH) has been studied kinetically by high-temperature gas-phase NMR in both sodium borosilicate glass…”
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PostDOCK:  A Structural, Empirical Approach to Scoring Protein Ligand Complexes by Springer, Clayton, Adalsteinsson, Helgi, Young, Malin M, Kegelmeyer, Philip W, Roe, Diana C

“…In this work we introduce a postprocessing filter (PostDOCK) that distinguishes true binding ligand−protein complexes from docking artifacts (that are created…”
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Complications Following Insertion and Replacement of Percutaneous Endoscopic Gastrostomy (PEG) Tubes by Platt, MS, Roe, DC

“…Percutaneous endoscopic gastrostomy (PEG) tube insertion was introduced in 1980 as an alternative to nasogastric tubes and surgically placed gastrostomy tubes…”
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Structure and Solution Dynamics of [(Ph3P)2Pd(Ph)(FHF)] by Roe, D. Christopher, Marshall, William J, Davidson, Fredric, Soper, Paul D, Grushin, Vladimir V

“…The bifluoride complex trans-[(Ph3P)2Pd(Ph)(FHF)] (1) was studied by single-crystal X-ray diffraction, IR, and variable-temperature 1H, 19F, and 31P NMR…”
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Mechanistic Aspects of a Highly Regioselective Catalytic Alkene Hydroformylation using a Rhodium Chelating Bis(phosphite) Complex by Moasser, Bahram, Gladfelter, Wayne L, Roe, D. Christopher

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Catalytic hydroxylation using chloroplatinum compounds by DeVries, N., Roe, D.C., Thorn, D.L.

“…Using “PtCl 4” as the Pt(IV) component in the mixture of aqueous chloroPt(II)/chloroPt(IV) compounds makes the “Shilov” functionalization of alkyl groups…”
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BUILDER v.2: improving the chemistry of a de novo design strategy by Roe, D C, Kuntz, I D

“…Significant improvements have been made to the de novo drug design program BUILDER. The BUILDER strategy is to find molecule templates that bind tightly to…”
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1-Vinyl-1,2,2,3,3-pentafluorocyclopropane: an extraordinarily rapid vinylcyclopropane rearrangement by Smart, Bruce E, Krusic, Paul J, Roe, D.Christopher, Yang, Zhen-Yu

“…Graphic The synthesis of 1-vinyl-1,2,2,3,3-pentafluorocyclopropane ( 1) and the kinetics of its thermal, unimolecular rearrangement to…”
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Reaction of 2,2-Bis(trifluoromethyl)-1,1-dicyanoethylene with 6,6-Dimethylfulvene:  Cycloadditions and a Rearrangement by Howard, Michael H, Alexander, Victor, Marshall, William J, Roe, D. Christopher, Zheng, Ya-Jun

“…Reaction of 2,2-bis(trifluoromethyl)-1,1-dicyanoethylene (BTF; 1) with 6,6-dimethylfulvene (2) affords the expected Diels−Alder cycloadduct,…”
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Identification of Novel Small Molecules That Bind to Two Different Sites on the Surface of Tetanus Toxin C Fragment by Cosman, Monique, Lightstone, Felice C, Krishnan, V. V, Zeller, Loreen, Prieto, Maria C, Roe, Diana C, Balhorn, Rod

“…A combination of computational methods, electrospray ionization mass spectroscopy (ESI-MS), and NMR spectroscopy has been used to identify novel small…”
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Polymer additives mixture analysis using pulsed-field gradient NMR spectroscopy by Jayawickrama, Dimuthu A., Larive, Cynthia K., McCord, Elizabeth F., Roe, D. Christopher

“…The analysis of mixtures is a problem commonly faced in analytical chemistry. In this work, pulsed‐field gradient NMR (PFG‐NMR) experiments were used to…”
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Transition-metal-catalyzed C-C bond formation via C-H activation. Intermolecular hydroacylation: the addition of aldehydes to alkenes by MARDER, T. B, ROE, D. C, MILSTEIN, D

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Identification of Novel Small Molecule Ligands That Bind to Tetanus Toxin by Lightstone, Felice C., Prieto, Maria C., Singh, Anup K., Piqueras, Mari Carmen, Whittal, Randy M., Knapp, Mark S., Balhorn, Rod, Roe, Diana C.

“…Tetanus toxin belongs to a family of clostridial protein neurotoxins for which there are no known antidotes. Another closely related member of this family,…”
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A hexamer peptide ligand that binds selectively to staphylococcal enterotoxin B: isolation from a solid phase combinatorial library by Wang, G., De, J., Schoeniger, J.S., Roe, D.C., Carbonell, R.G.

“…:  By screening a solid‐phase combinatorial peptide library, a short peptide ligand, YYWLHH, has been discovered that binds with high affinity and selectivity…”
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A novel mechanism for inhibition of HIV-1 reverse transcriptase by Skillman, A.Geoffrey, Maurer, Karl W, Roe, Diana C, Stauber, Margaret J, Eargle, Dolan, Ewing, Todd J.A, Muscate, Angelika, Davioud-Charvet, Elisabeth, Medaglia, Maxine V, Fisher, Robert J, Arnold, Edward, Gao, Hong-Qiang, Buckheit, Robert, Boyer, Paul L, Hughes, Stephen H, Kuntz, Irwin D, Kenyon, George L

“…The human immunodeficiency virus (HIV) epidemic is an important medical problem. Although combination drug regimens have produced dramatic decreases in viral…”
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Chemistry of Unique Chiral Olefins. 2. Unexpected Thermal Racemization of cis-1,1‘,2,2‘,3,3‘,4,4‘-Octahydro-4,4‘- biphenanthrylidene by Harada, Nobuyuki, Saito, Akira, Koumura, Nagatoshi, Roe, D. Christopher, Jager, Wolter F, Zijlstra, Robert W. J, de Lange, Ben, Feringa, Ben L

“…During the studies of the unique chiral olefins, (E)-1,1‘,2,2‘,3,3‘,4,4‘-octahydro-4,4‘-biphenanthrylidene (1) and its (Z)-isomer (2), we found the unexpected…”
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Fluorinated macrocyclic ethers as fluoride ion hosts. Novel structures and dynamic properties by Farnham, W. B, Roe, D. C, Dixon, D. A, Calabrese, J. C, Harlow, R. L

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Anionic Iridium Monohydrides by Simpson, Robert D, Marshall, William J, Farischon, Amy A, Roe, D. Christopher, Grushin, Vladimir V

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