ACS National Meeting - New Orleans

Chemistry of Energy & Food

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er Metal ntaminant , at the dvanced l of ern OPs for ants nonica, nts (solar mination of astewater alato, Miralles ng miUV-A/TiO2 an Grieken, disinfection sis: Effect iO2 loadEscherichia ala, s of solar or the re, and other cern. Marquez, to nic miation pro, continum using O'Farrell on proCCL3 comxicity of . Schirmer, . G. Linden smuthgradation r light irra, D. Avisar V/H2O2 addegradation tics. at the Removal Care es MEDI TUESDAY AFTERNOON 8:50 ENVR 95. Trends in attention deficit hy2:35 MEDI 236. Selective orexin receptor peractivity disorder (ADHD) drug use on a antagonists as evidenced through college campus for the treatment of CNS disorders. analysis. D. A. Burgard, wastewater B. T. Shireman, M. A. Letavic, P. B. Becker, R. Ferrell, R. Fuller,Bonaventure, B. Branstetter, C. Dugovic, M. Hack, B. Lord, K. S. Ly, M. J. Dinglasan-Panlilio K. L. Morton, and Rudolph, B. M. 9:10 ENVR 96. RegionalD. A. seasonal profil- Savall, C. Shah, J. Shelton, J. Shoblock, ing of selected pharmaceuticals, stimulaD. Nepomuceno, T. their metabotory drugs, pesticides, andW. Lovenberg, lites inN. I. Carruthers local water bodies by SPE-HPLC3:10 MEDI 237. Neurotensin receptors and QqQ and UPLC-QTOF analysis. substance Bodeddula, M. J. Wells, S. Madireddy, V.abuse. J. B. Thomas, A. M. J. O. Boles Giddings, R. W. Wiethe, S. Olepu, A. C. Smith, T. of 17␤-estradiol in 9:30 ENVR 97. Detection L. Langston, K. R. Warner, B. P. Gilmour, G. R. Hanson, drinking water sources using DNA apA. J. Hoonaker, C. M. Robson, tamer-based electrochemical detection. X. Xu,L. M. McFadden, P. S. C. J. Werth S. Akki, S. Silverman, Frankel, M. E. Alburges 9:50 Intermission. ENVR 98. 238. Characterization influ10:05 3:45 MEDIEvaluation of temporal of 70 human melanocortin-4 receptor polymorence on bioaccumulation of contamiphisms and concern in learned. nants of emerging the lessonsaquatic orC. Haskell-Luevano, E. Gulf of ganisms in estuaries along the M. Haslach, Z. Xiang, A. M. Wilczynski, Mexico. B. Du, K. A. Connors, H. Huang, J. Appel, M. Guilianotti, Breed, W. C. Scott, L. A. Kristofco, C.G. Debevec, P. C. K. Chambliss, B. W. Brooks B. Byars,Geer, S. A. Litherland, R. Houghten 4:20 MEDISo many PPCPs, which to tools 10:25 ENVR 99. 239. Development of novel to systematic approach to select study? Astudy the neuropeptide S system in models compounds abuse. representativeof substance for water S. P. Runyon, Jin, S. Peldszus treatment studies. X. C. Hassler, T. Fennell, R. Snyder, Y. Zhang, N. Goedders, 10:50 ENVR 100. Quantitative structureC. relationships Reinscheid, C. Garau property Schmoutz, R.(QSPR) to predict removal of EDCs/PPCPs in water treatSection B ment processes. A. R. Kennicutt, L. Morkowchuk, J. E. Kilduff, Morial Convention Center C. M. Breneman ENVR 101. 11:10 R02-R04 On-line SPE coupled to LC MS/MS for rapid, sensitive, and simultaTargeting Lipid Signaling Enzymes in neous analysis of multiple PPCPs in wa- Drug ter.Discovery Cosponsored by BIOL T. Anumol, S. Merel, S. A. Snyder 11:30 ENVR 102. Detection and quantificaC. antidepressants in aqueous matrition ofLindsley, H. Brown, Organizers, Presiding ces. K. J. Chodara, J. McIntosh, M. Gettle, D. G. Sykes 2:00 MEDI 240. Lipid biochemistry, mass spectrometry, and lipidomics: A journey Section C in five decades. R. C. Murphy 2:35 MEDI 241. Secreted phospholipases A2: New Orleans Downtown Marriott at the Role in asthma and arthritis. M. H. Gelb, Convention Center R. C. Oslund, J. M. Bollinger, Blaine Kern F T. Hallstrand 3:10 MEDI 242. Sphingosine kinase 1: Transformative Nanotechnologies: Energy A key role in inflammation and cancer. and Environment, Solutions and Challenges S. Spiegel Water Treatment 3:45 MEDI 243. Chemoproteomic approaches for Lafferty, Organizers, D. Plata, J. Fortner, B.targeting endocannabinoid Presidingsignaling networks. B. Cravatt 4:20 MEDI 244. Role of phosphatidic acid in human disease. H. 8:00 Introductory Remarks. A. Brown 8:05 ENVR 103. Iron redox in a carbon nanoMolecular Mechanics tube electrochemical filter. C. D. Vecitis, Applications: Fixing Those Molecules One M. H. Schnoor at a Time #molMech Sponsored by COMP, 8:35 ENVR 104. Effect of competing anions Cosponsored by BIOL, MEDI, and PHYS on arsenic removal via magnetite nanoparticles. B. B. Karakocak, A. Terenyi, Natural Products for Health and A. Martahus, J. D. Fortner, O. Yenigun Pharmaceuticals and Biotech Sponsored by 8:55 ENVR 105. Nanoporous graphene as a AGFD, Cosponsored by MEDI water desalination membrane: How would it work in practice? Protein-Ligand Interactions: Insights, New D. Cohen-Tanugi, J. C. GrossmanDesign Tools and Applications in Drug 9:15 ENVR 106. Influence of Cosponsored by BIOL, Sponsored by COMP, nanoporous thin-film coatings ofPHYS or Al2O3 on carCINF, MEDI, and SiO2 bon electrodes for electrosorption in caQuantum Chemistry pacitive deionization. J. J. Wouters, Applications: The Power of J. J. Lado, I. Tejedor-Tejedor, Moving Many M. Electrons #QuantChem Sponsored by A. Anderson COMP, Cosponsored by MEDI and PHYS 9:35 Intermission. TUESDAY EVENING Poster Session Sponsored by COMP, Cosponsored by ANYL, CHED, CINF, COLL, MEDI, ORGN, PHYS, PMSE, and POLY moval of king water WEDNESDAY MORNING Section A Morial Convention Center R06/R07 Targeted Covalent Inhibition in Drug Discovery M. Lucas, Organizer, Presiding 8:30 MEDI 245. Reversible covalent inhibition: An optimal approach to achieve highly potent, selective and durable inhibitors of cysteine containing targets. D. M. Goldstein 9:05 MEDI 246. Targeting drug resistance with covalent inhibitors. D. Rauh 9:40 MEDI 247. Chemoproteomic probes that target lysine and cysteine: Interrogating Src-family kinases and beyond. J. Taunton 10:15 MEDI 248. Discovery of highly potent and selective covalent reversible cathepsin S inhibitors. W. Haap, G. Hartmann, R. Alvarez Sanchez, L. Anselm, ` D. W. Banner, R. Ecabert, U. Grether, H. Kuehne, B. Kuhn, T. Luebbers, J. Peters, J. Plancher, A. Rufer, B. Spinnler 10:50 MEDI 249. Towards optimized utility of proteasome inhibitors with peptide epoxyketones. C. Kirk 11:25 MEDI 250. Biology of covalent BTK inhibitor PCI-32765 (Ibrutinib): From bench to bedside. B. Y. Chang 12:00 MEDI 251. Discovery and development of telaprevir- a covalent HCV protease inhibitor recently approved for the treatment of people with chronic genotype 1 HCV infection. A. D. Kwong TECH–155 Natural Products for Health and Pharmaceuticals and Biotech Sponsored by AGFD, Cosponsored by MEDI Potential Function Uncertainty and Validation Predictions and Benchmarking Sponsored by COMP, Cosponsored by BIOL, CINF, MEDI, and PHYS Protein-Ligand Interactions: Insights, New Tools and Applications in Drug Design Sponsored by COMP, Cosponsored by BIOL, CINF, MEDI, and PHYS Quantum Chemistry Applications: #QuantChem is Way Popular at #ACSnola Sponsored by COMP, Cosponsored by MEDI and PHYS WEDNESDAY AFTERNOON Section A Morial Convention Center R06/R07 Fluorine in Medicinal Chemistry Cosponsored by ORGN Financially supported by Pfizer, Inc General Oral Session T. Reger, K. Eastman, Organizers, Presiding C. Haskell-Luevano, Presiding 8:30 MEDI 252. Properties and applications of some selectively fluorinated rings and things. D. O'Hagan 9:00 MEDI 253. Catalytic methods for nucleophilic fluorination. A. G. Doyle 9:30 MEDI 254. Synthesis and applications of fluorine-18 labeled radiopharmaceuticals. P. J. Scott 10:00 MEDI 255. Gamma-secretase modulators: Aligning potency, clearance, and brain penetration through strategic use of fluorine. M. Pettersson, D. S. Johnson, K. R. Bales, X. Hou, P. R. Verhoest 10:30 MEDI 256. Fluorine substitution in allosteric modulator programs of cell surface receptors. S. R. Stauffer 11:00 MEDI 257. Big changes from a small atom: Effects of fluorine substitution on small molecule MET inhibitors. D. Sutherlin, J. Gaudino, A. Thomas, B. Kaus, W. Young, D. Diaz, E. Harstad, B. Liederer, M. Merchant, A. Stumpf, C. Siedem, A. Kim, C. Eigenbrot, S. Shia, J. Blake, V. Tsui, S. Boyd 11:30 Concluding Remarks. Section C T. Prisinzano, Organizer, Presiding 198 –TECH Mobile Applications Can you Calculate Me Now? (Tweet Along with Us! Use #compMobile) Sponsored by COMP, Cosponsored by CINF and MEDI Morial Convention Center R02-R04 Young Investigators in Medicinal Chemistry Technical program information known at press time. The official technical program for the 245th ACS National Meeting is available at: ‡ Cooperative Cosponsorship www.acs.org/neworleans2013 9:05 MEDI 259. Cracking the histone code: Developing inhibitors of bromodomainacetyl-lysine interactions. S. J. Conway 9:35 MEDI 260. Discovery of highly potent, selective, and brain-penetrable LRRK2 inhibitors. A. A. Estrada 10:05 MEDI 261. Structures and function of cytochrome P450 17A1: Drug target for metastatic prostate cancer. E. E. Scott 10:35 MEDI 262. Discovery of a potent dual neurokinin 1 receptor antagonist and serotonin transporter inhibitor for the treatment of depression. A. P. Degnan 11:05 MEDI 263. Using small molecules to engineer and explore human immunity. D. A. Spiegel Section B Morial Convention Center R08/R09 zers, ss speche detecer. TECHNICAL PROGRAM ENVR 8:30 Introductory Remarks. 8:35 MEDI 258. Discovery of 1,3,8triazaspiro[4.5]decane-2,4-diones as efficacious pan-inhibitors of hypoxia-inducible factor prolyl hydroxylase 1–3 (HIF PHD1–3) for the treatment of anemia. P. Vachal J. Barrish, Organizer 1:30 MEDI 264. Marinopyrrole derivatives as potential antibiotic and anticancer agents. R. Li, C. Cheng, Y. Liu, Y. Qin, S. M. Sebti 1:50 MEDI 265. Targeting the glucose regulated protein 78 in cancer therapy. D. Sabatino, A. Maina, E. Morozko, S. C. Joseph, P. Patel, I. Martinez, B. Blackman, A. Blake 2:10 MEDI 266. Novel small-molecule suppressors of cytokine-induced beta-cell apoptosis for the treatment of type 1 diabetes. S. S. Scully, A. J. Tang, D. H. Chou, M. Lundh, K. Perkins, J. R. Duvall, L. A. Marcaurelle, S. L. Schreiber, B. K. Wagner 2:30 MEDI 267. Thromboxane (A2) receptor antagonists as potential candidates for Alzheimer's disease. C. Ballatore, K. Herbst-Robinson, X. Wang, J. H. Soper, S. Sugiyama, M. J. James, L. Huang, M. Yao, V. M. Lee, J. Q. Trojanowski, K. R. Brunden, A. B. Smith, III 2:50 MEDI 268. Design and development of Nexturastat A, a potent and selective inhibitor of HDAC6. J. A. Bergman, K. Woan, P. Perez-Villarroel, D. Woods, A. Villagra, E. M. Sotomayor, A. P. Kozikowski 3:10 MEDI 269. Regiospecific synthesis of isoindolinones as MDM2 inhibitors. S. J. Cully, T. J. Blackburn, C. Cano, B. T. Golding, R. J. Griffin, J. Lunec, D. Newell, M. Noble, Y. Zhao, I. R. Hardcastle 3:30 MEDI 270. Inhibitors of Ras carboxyl methyltransferase as potential treatments for pancreatic cancer. C. A. Hrycyna, K. Hahne, J. Bergman, J. Majmudar, R. A. Gibbs 3:50 MEDI 271. Taxoid-based tumor-targeting chemotherapeutic agents bearing an imaging module. J. G. Vineberg, E. S. Zuniga, J. S. Fowler, I. Ojima 4:10 MEDI 272. Amidine-based sphingosine kinase inhibitors: Optimization and pharmacokinetics. J. D. Houck, Y. Kharel, K. R. Lynch, T. L. Macdonald 4:30 MEDI 273. Development of streptolysin S inhibitors as anti-virulence drugs. T. Maxson, M. E. Hensler, E. M. Molloy, P. D. Cotter, V. Nizet, D. A. Mitchell 4:50 MEDI 274. Synthesis of N-acyl aziridine containing peptidomimetics. G. M. Wells, S. C. Bergmeier 5:10 MEDI 275. New PET and SPECT imaging agents for the translocator protein (18 kDa). A. Blair, S. Pimlott, L. Schwieger, A. Sutherland Section B Morial Convention Center R02-R04 First Time Disclosures A. J. Robichaud, Organizer, Presiding 2:00 MEDI 276. Discovery and preclinical pharmacology of BMS-906024, a panNotch inhibitor for the treatment of cancer. A. V. Gavai, C. Quesnelle, D. Norris, W. Han, P. Gill, W. Shan, A. Balog, A. Tebben, R. Rampulla, D. Wu, Y. Zhang, A. Mathur, R. White, A. Rose, H. Wang, Z. Yang, A. Ranasinghe, C. D'Arienzo, V. Guarino, L. Xiao, C. Su, G. Everlof, V. Arora, D. Shen, M. Cvijic, K. Menard, M. Wen, J. Meredith, L. Lombardo, R. Olson, J. Hunt, G. Vite, R. Westhouse, F. Lee 2:35 MEDI 277. Discovery of LGX818: A potent, selective RAF kinase inhibitor for treatment of BRAFV600E-positive melanoma. Z. Chen, A. Costales, M. Dillon, S. Huang, Z. Huang, J. Jin, Z. Liu, T. Machajewski, A. Madera, W. Antonios-McCrea, M. McKenna, S. Pan, S. Pecchi, P. Renhowe, M. Sendzik, C. Shafer, A. Sharma, A. Smith, Y. Wan, X. Wang, Y. Xie, Q. Zhang, B. Appleton, G. Dollinger, J. Isbell, C. Li, N. Li, V. Sethuraman, D. Stuart, F. Sun, N. Turner, Y. Xu, R. Zang, D. Poon, J. Tellew 3:10 MEDI 278. Discovery of AZD5423, a potent and selective non-steroidal glucocorticoid receptor modulator for the inhaled treatment of respiratory diseases. T. Hansson, M. Berger, J. Dahmen, K. Edman, A. Eriksson, B. Gabos, M. Hemmerling, K. Henriksson, S. Ivanova, M. Lepisto, D. McKerrecher, ¨ M. Munch af Rosenschold, S. Nilsson, ¨ H. Rehwinkel, C. Taflin 3:45 MEDI 279. Discovery of TL32711 (Birinapant): A novel bivalent Smac mimetic and antagonist of the inhibitor of apoptosis proteins for the treatment of cancer. S. M. Condon, Y. Deng, T. Haimowitz, S. R. Rippin, M. G. LaPorte, M. D. Alexander, M. S. Hendi, Y. Lee, T. P. Kumar, Y. Mitsuuchi, C. A. Benetatos, M. A. McKinlay, G. S. Kapoor, E. M. Neiman, M. E. Seipel, G. Yu, J. M. Burns, M. Graham, D. Weng, S. K. Chunduru The use of any device to capture images (e.g., cameras and camera phones) or sound (e.g., tape and digital recorders) or to stream, upload or rebroadcast speakers or presentations is strictly prohibited at all official ACS meetings and events without the express written consent from the ACS.

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