SUNDAY MORNING

Chemical Research in Toxicology Young Investigator Award-Invited, Oral

Y. Aye, Organizer, Presiding

8:30 Introductory Remarks.

8:45 Protein Modification by Lipid Electrophiles and Its Consequences. L.J. Marnett, J. Camarillo, W.N. Beavers, J. Galligan

9:15 Reactivity of damaged DNA in nucleosomes. M.M. Greenberg

9:45 Succinylation and SIRT5 as Important Regulators of Heart Function. H. Lin

10:15 Intermission.

10:30 T-REX™ on-demand redox targeting: A toolset for functional discoveries and validations. S. Parvez, M.J. Long, H. Lin, Y. Zhao, J. Haegele, V. Pham, D. Lee, Y. Aye

11:00 Master and Commander of the Cellular Antioxidant Response. J.R. Poganik, Y. Aye

11:30 Switching gears: ribonucletoide reductase antagonizes cell proliferation. Y. Aye

SUNDAY AFTERNOON

Founders Award Lecture & Symposium-Invited, Oral

S. Broyde, N. E. Geacintov, Organizers, Presiding

1:30 Introductory Remarks.

1:40 Regulation of dual incision and repair synthesis in human nucleotide excision repair. O.D. Scharer, F. Adebanke, J. Rageul

2:15 Impact of Structural Features of DNA Lesions on their Recognition and Repair by the Human Nucleotide Excision Repair System. N.E. Geacintov

2:50 Elucidating Structure-Function Relationships in Lesion- Containing DNA: Insights from Molecular Modeling Integrated with Experiment. S. Broyde

3:25 Intermission.

3:45 Insights into the DNA damage recognition by the Rad4/XPC nucleotide excision repair complex. J. Min, A. Ansari, X. Chen, Y. Velmurugu

4:20 DNA damage and repair in chromatin: Finding the keys to get in. P. Mao, M. Duan, J. Wyrick, M. Smerdon

Increasing the Value of Water Monitoring Data for Pesticide Fate & Effects Evaluations- Oral

Sponsored by AGRO, Cosponsored by ENVR and TOXI

MONDAY MORNING

Young Investigators Symposium-Oral

U. Sarkar, Organizer, Presiding

8:00 Parsing the conformational and configurational equilibria of a 2′-deoxyribosylurea DNA adduct. A.H. Kellum, V. Jasti, A.K. Basu, M.P. Stone

8:20 Mutagenic and cytotoxic properties of the O²-alkylthymidine lesions in human cells. J. WU, P. Wang, L. Li, Y. Wang

8:40 Investigation of RNA oxidation via selective generation of a C5′-uridinyl radical. M. Ellis, A.C. Bryant-Friedrich

9:00 Quantitative Assessment of the Biological Consequences and Repair of Carboxymethylated and Ethylated DNA Adducts. C. You, P. Wang, S. Nay, j. wang, x. dai, T. O’Connor, Y. Wang

9:20 Sequencing of 8-oxo-7,8-dihydro-2’-deoxyguanosine in the genome by next-generation sequencing methods. Y. Ding, A.M. Fleming, C.J. Burrows

9:40 Intermission.

9:50 Transcriptional Bypass of O²-alkylthymidine Lesions by T7 RNA Polymerase and Human RNA Polymerase II. N. Williams, P. Wang, Y. Wang

10:10 Tracing androgen metabolism with inhibition of aromatase in breast cancer: in vitro studies, clinical correlates and implications for acquired resistance. L. Bottalico, L. Gil de Gomez, Q. Wang, A. Frey, N. Snyder, I.A. Blair

10:30 Metatranscriptomics Reveals Functional Effects of Diazinon Exposure on Gut Microbiome. B. Gao, X. Bian, L. Chi, P. Tu, K. Lu

10:50 Toxicological study of quinone–protein adducts by molecular modeling and spectroscopic analysis. M.S. Elgawish

11:10 Cadmium inactivates a zinc-dependent endonuclease of the human mismatch repair pathway. S.M. Sherrer, P.L. Modrich

11:30 Replication Studies of C3’-Epimeric Lesions of 2‘-Deoxyribonucleosides in E. coli cells. P. Wang, N.J. Amato, Y. Wang

Increasing the Value of Water Monitoring Data for Pesticide Fate & Effects Evaluations- Oral

Sponsored by AGRO, Cosponsored by ENVR and TOXI

Agrochemicals & Pollinators: Current Science & Risk Assessment Approaches-Poster

Sponsored by AGRO, Cosponsored by AGFD, ENVR and TOXI

MONDAY AFTERNOON

Asbestos Fate, Exposure, Remediation, & Adverse Health Effects

I. A. Blair, Organizer, Presiding

1:30 Overview: Penn Superfund Research and Training Program Center: Asbestos, fate, transport, remediation and adverse health effects. T.M. Penning

2:10 Fate of asbestos in soil: remediation prospects and paradigm. J. Willenbring, S. Mohanty , A. Salamatipour, C. Gonneau, D. Jerolmack, B. Casper

2:40 Aggregate dynamics and their control on the mobility of asbestos in the environment. D. Jerolmack, L. Wu, C. Ortiz, J. Willenbring

3:10 Historic cohort study to identify effects of chrysotile asbestos exposure on past residents of Ambler, PA. E. Emmett, A. Agawu, S. Elahi, F. Barg, D. Wiebe

3:40 Intermission.

3:55 Mouse models of malignant mesothelioma. J. Testa, C. Menges, M. Cheung, Y. Kadariya, J. Talarchek, R.A. Pietrofesa, R. Simmons, M. Christofidou-Solomidou, S. Albelda

4:25 Chemopreventive properties of LGM2605. M. Christofidou-Solomidou, R.A. Pietrofesa, A. Velalopoulou, S. Albelda

4:55 Biomarkers of asbestos exposure. I.A. Blair, L. Weng, C. Mesaros, N. Snyder, W. Hwang, A. Vachani

Increasing the Value of Water Monitoring Data for Pesticide Fate & Effects Evaluations- Oral

Sponsored by AGRO, Cosponsored by ENVR and TOXI

TUESDAY MORNING

Chemical Toxicology in the Study of Health Disparities among Ethnic/Racial Groups- Invited, Oral

S. Balbo, S. S. Hecht, Organizers, Presiding

8:30 Introductory Remarks.

8:35 Differing frequencies of clinically relevant genomic alterations (CRGA) in with colorectal cancers of patients to define disparities in outcomes. E.P. Mitchell

9:15 Relationships between body burden of contaminants, biomarkers of effects and health outcomes among Inuit in the Canadian Arctic. L.H. Chan

9:55 Unconventional Gas and Oil Drilling Operations (UGOD) in the Marcellus Shale and Health Disparities. T.M. Penning

10:35 Intermission.

10:50 Individual variation in human arsenic biotransformation: Intuitive and puzzling determinants drive variability. W. Klimecki

11:30 Analysis of nicotine and tobacco smoke toxicant and carcinogen metabolites in relation to ethnic differences in lung cancer susceptibility in cigarette smokers. S.S. Hecht, S. Park, S. Carmella, D.O. Stram, C.A. Haiman, L. Le Marchand, S.E. Murphy

12:10 Concluding Remarks.

Agrochemicals & Pollinators: Current Science & Risk Assessment Approaches-Oral

Sponsored by AGRO, Cosponsored by AGFD, ENVR and TOXI

Increasing the Value of Water Monitoring Data for Pesticide Fate & Effects Evaluations- Poster

Sponsored by AGRO, Cosponsored by ENVR and TOXI

TUESDAY AFTERNOON

Needs & Directions for the Future of Toxicology in Pharmaceutical Development- Invited, Oral

Cosponsored by MEDI Y. Will, Organizer F. Guengerich, W. G. Humphreys, Organizers, Presiding

1:30 Introductory Remarks.

1:35 Update on recent approaches to improve drug design practices. N.A. Meanwell

2:15 Risk assessing bioactivation: a pharmaceutical challenge. R.A. Thompson

2:55 Small Molecule Safety Lead Optimization and Candidate Identification: Integrating Technologies into Decision-Making. D. Dambach

3:35 Learnings from early-safety assessment in the pharmaceutical industry. Y. Will

Agrochemicals & Pollinators: Current Science & Risk Assessment Approaches-Oral

Sponsored by AGRO, Cosponsored by AGFD, ENVR and TOXI

TUESDAY EVENING

Division of Chemical Toxicology Keynote Address-Invited, Oral

P. F. Hollenberg, Organizer, Presiding

5:00 Introductory Remarks.

5:10 From repair replication to R-loops in half-a-century. P.C. Hanawalt

General Poster Session-Poster

A. C. Bryant-Friedrich, Organizer

6:30 – 8:30

Automation of an empirically-based decision tree for developmental and reproductive toxicity (DART). C. Coolbaugh Lester, J. Fisher, M. Laufersweiler, J. Naciff, G. Daston, K. Blackburn, S. Wu

Impact of gold nanoparticles coated with a new class of polyelectrolyte on Zebrafish (Danio rerio) “a model aquatic organism”. K. Noland, Z. Zheng, I. Gunsolus, C.L. Haynes, N. Niemuth, R. Klaper, Z. Rosenzweig

Next generation sequencing based cytotoxicity and mutagenicity studies on arylamine adducts in cell. K. Bian, F. Chen, Q. Tang, A. Cai, B. Cho, D. Li

Chemical biology and toxicology of human carboxylesterase 1 in macrophages. M.K. Ross, L. Mangum, J. Lee, A. Borazjani, J. Crow

Effects of asbestos exposure on mitochondrial metabolites in lung cells. L. Weng, C. Mesaros, N. Snyder, I.A. Blair

Avoidance of the AMES test liability for aryl-amines via computation, 5 years on.. L. Whitehead, P.R. McCarren, S. Glowienke, A. Werner

Tetra-Ethylene Glycol Coated Gold Nanoparticles Are Stable And Have An Extended Half-Life In Vivo. J. Willett, M. Lawrence, J. Wilder, O. Smithies

Do grinding conditions affect the toxicity of asbestos fibers?. A. Salamatipour, S.K. Mohanty, R.A. Pietrofesa, D. Vann, M. Christofidou-Solomidou, J. Willenbring

Mineral Calomel (Mercury(I) Chloride): A Poison in the Byzantine Empire?. M.R. Chávez, M. Golas, A. Mousavi

Read-across at the crossroad of chemoinformatics and regulatory science. A. Mostrag- Szlichtyng , I.J. Boyer, B. Bienfait, B. Heldreth, T. Kleinoder, J. Marusczy, A. Tarkhov, O. Sacher, C.H. Schwab, V. Vitcheva, J. Rathman, C. Yang

Nucleosome histone tail conformation and dynamics: impacts of lysine acetylation and a nearby minor groove benzo[a]pyrene-derived lesion. I. Fu, Y. Cai, Y. Zhang, N.E. Geacintov, S. Broyde

Impact of lesion stereochemistry on histone tail structure in a nucleosome core particle: a molecular dynamics study. Y. Cai, Y. Fu, N.E. Geacintov, S. Broyde

Effect of DNA-protein cross-links on transcription. S. Ji, N.Y. Tretyakova

Conformation-driven translesion synthesis of a bulky DNA lesion: thermodynamic, binding, and computational investigation. A. Cai, K.A. Wilson, S.D. Wetmore, B. Cho

XPC lesion recognition mechanism in nucleotide excision repair. H. Mu, N.E. Geacintov, Y. Zhang, S. Broyde

Oncometabolites inhibit AlkB family DNA repair enzymes. Q. Tang

Mutagenicity and toxicity assay studying effect of oncometabolites 2-hydroxyglutarate on AlkB family DNA repair enzymes. F. Chen, K. Bian, Q. Tang, D. Li

DNA polymerase ν pre-steady-state kinetic studies of the fidelity and bypass of adducts derived from tobacco specific nitrosamines. P. Aladahalli Sanne Gowda

Effects of copper on replication block and mutagenicity in-cell on AlkB family DNA repair enzymes. Z. Humulock, K. Bian, F. Chen, Q. Tang, D. Li

Dynamics of the E. coli beta-clamp dimer interface on DNA loading. B. Koleva, J. Conway, J. Compton, J. Donlan, J. Han, A. Wu, P.J. Beuning

Gut Microbiome and Metabolome Response to Artificial Sweeteners. X. Bian, B. Gao, K. Lu, L. Chi, P. Tu

Sex-specific Effects of Arsenic Exposure on the Trajectory and Function of the Gut Microbiome. L. Chi

Effects of nicotine on the gut microbiome and its metabolic functions. P. Tu, R. Mahbub, X. Bian, B. Gao, L. Chi, K. Lu

Inhaled Aldehydes Increase Lung Tumor Formation in the NNK Induced A/J Mouse Tumor Model. M.K. Oram, D. Seabloom, M.G. O’Sullivan, Y. Ho, L. Zhang, S.S. Hecht, S. Balbo, L.A. Peterson

Identification of pyridyloxobutyl deoxycytidine adducts formed in the reaction of DNA with 4- (acetoxymethylnitrosamino)-1-(3-pyridyl)-1-butanone. A.K. Michel, P. Upadhyaya, S.S. Hecht

Identification of adducts formed by pyridyloxobutylation of deoxyadenosine and DNA by 4- (acetoxymethylnitrosamino)-1-(3-pyridyl)-1-butanone, a chemically activated form of tobacco specific carcinogens. P. Upadhyaya, E. Carlson, A.K. Michel, S.S. Hecht

Synthesis, stability, and in vitro analysis of nitrosamides resulting from cytochrome P450- mediated oxidation of N’-nitrosonornicotine and 4-(methylnitrosamino)-1-(3-pyridyl)-1- butanone. E.S. Carlson, P. Upadhyaya, S.S. Hecht

Enantiomeric composition of N’-nitrosonornicotine in the urine of smokers and smokeless tobacco users. J. Yang, S.S. Hecht

Effect of Variable Power levels on the Yield of Total Aerosol Mass and Formation of Aldehydes in E-Cigarette Aerosols. I.G. Gillman, K.A. Kistler, E. Stewart, A. Paolantonio

Improved method for the analysis of 4-hydroxy-1-(3-pyridyl)-1-butanone-releasing DNA adducts by liquid chromatography nanoelectrospray-high resolution tandem mass spectrometry. B. Ma, C. Ruszczak, V. Jain, S.S. Khariwala, R. Dove, I. Stepanov

Investigation of DNA Lesions from C5’-Oxidation. S.H. Cho, S.A. Audat, A.C. Bryant- Friedrich

Rapid Throughput DNA Extraction from Formalin-Fixed Paraffin-Embedded Tissues for Quantification of Multi-Class Carcinogenic DNA Adducts. B. Yun, J. Guo, S. Xiao, T.A. Rosenquist, A.P. Grollman, R. Turesky

Replication of double-stranded plasmid vectors containing interstrand DNA-DNA cross-links generated by the reaction of a deoxyguanosine residue with an opposing abasic site. N.E. Price, Y. Wang

Chemical syntheses and Characterizations of Oligodeoxyribonucleotides Containing Site-specifically Incorporated Alkylphosphotriester Lesions. J. Wu, Y. Wang

Synthesis of oligonucleotides containing Fapy-dG and N⁵-(2-oxoethyl)Fapy dG adducts. C.K. Malik, C.J. Rizzo

Probing Arylamine-DNA adducts using Ru(II) polypyridyl complexes. N. Thangavel, V. Vaidyanathan

Mass spectrometric analysis of post-translational modifications in hemoglobin from type 2 diabetes mellitus patients. H.C. Chen, Y. Yang, P. Chen

Abasic site cross-link discovery and quantification via stepped MRM in rat tissue. A novel approach to identify DNA modifications in organisms. R. Hillebrand, M.J. Catalano, S. Mohapatra, S. Senvo, R. Lee, K.S. Gates, P.C. Dedon

LC-MS determination and pharmacokinetic study of lonidamine in a mouse model of melanoma. L. Guo, K. Nath, D.S. Nelson, .C. Roman, C. Mesaros, J.D. Glickson, I.A. Blair

Inhibition of cytochrome P450 by buckminsterfullerene. P.M. Gannett, C. Bostick, T.S. Tracy, E.L. Dolan, A.R. Biundo, W.D. Tish

Epigenetic Regulation of Cytosine Methylation, Hydroxymethylation, Formylation and Carboxylation in a Mouse Model of Smoking-Induced Lung Cancer. C. Seiler, J. Song, A. Anandharaj, F. Kassie, N.Y. Tretyakova

Biomonitoring the cooked meat carcinogen 2-amino-1-methyl-6-phenylimidazo[4,5-b]pyridine in hair and prostate by ultra performance liquid chromatography-mass spectrometry. S. Xiao, S. Krishnamachari, C. Weight, R. Turesky

Quantification of Azaserine-induced Carboxymethylated and Methylated DNA Lesions in Cells by Nanoflow Liquid Chromatography-Nanoelectrospray Ionization Tandem Mass Spectrometry Coupled with the Stable Isotope-Dilution Method. Y. Yu, j. wang, P. Wang, Y. Wang

Distinct metabolomic profiles in inbred mouse strains and correlation with iron. R. Zeidan, D. Medina-Cleghorn, K. Page, S. McLachlan, E. Eskin, D. Nomura, C. Vulpe

High Throughput Analysis of Orlistat® Drug Standard and Corresponding Non-Prescription Over-The-Counter Drug alli® using TSKgel ODS-140HTP, 2.3µm Columns using HPLC and UHPLC. C. Benner, A. Chakrabarti

Dibutyltin Alters Interleukin 1 beta and Interleukin 6 Secretion from Human Immune Cells. S. Brown, S. Tehrani, W. Wilburn, M. Whalen

Estrogen receptor-mediated PAH o-quinone toxicity. I.G. Lee, T. Zang, D.H. Tamae, M. Huang, T.M. Penning

Dissipation Monitoring of the QCM-D to Study Ligand- Induced Cell Signaling. J.Y. Chen, M. Garcia, L.S. Penn, J. Xi

Pilot study of malathion, atrazine, carbaryl and chlorpyrifos in the breast milk of women in suburban and agricultural communities of Central Florida. m. bourgeois, J.C. Tovar, E. Pulster, R. Harbison

Quantification of alkaloids in areca nut-containing products by liquid chromatography-tandem mass-spectrometry. V. Jain, A. Garg, P. Chaturvedi, M. Parascandola, I. Stepanov

WEDNESDAY MORNING

General Oral Session-Oral

A. C. Bryant-Friedrich, Organizer Z. Suo, Presiding

8:00 Gut microbes and probiotics anaerobically transform carcinogenic dietary heterocyclic amines to metabolites with altered toxicity. J. ZHANG, C. Engels, M. Schneider, M. Fekry, C. Lacroix, S.J. Sturla

8:20 Mitigating CYP TDI Ensuing from Bioactivation of Fluoropyrimidine Moiety. M. Mandal

8:40 Rapid detection of endocrine disrupting chemicals by a nanosensor at ultra-sensitive level. N. Le, X. Wang, Y. Geng, R. Tang, G. Yesilbag Tonga, Z. Jiang

9:00 New techniques for determination of e-cigarette aerosol pH and nicotine absorption by saliva. J.H. Lauterbach, . Lauterbach

9:20 N²-Benzyl-2’-deoxyguanosine 5’-triphosphate is a specific substrate for human DNA polymerase ?. T. Spratt, A. Prakasha Gowda

9:40 Pyridylhydroxybutyl DNA phosphate adduct formation in rats treated chronically with the tobacco-specific lung carcinogen 4-(methylnitrosamino)-1-(3-pyridyl)-1-butanone. B. Ma, A.T. Zarth, P.W. Villalta, P. Upadhyaya, I. Stepanov, S.S. Hecht

10:00 Intermission.

10:10 Delivering The Benefits of Chemical-Biological Integration in Computational Toxicology at the EPA. A.J. Williams, K. Mansouri, C. Grulke, K. Houck, D. Lyons, J. Edwards, M. Martin, J. Wambaugh, G. Tier, I. Shah, R. Judson, K. Crofton, R. Thomas

10:30 Metalloporphyrins and salens as mimics of the cytochrome p-450 mixed oxidase systems to evaluate toxicity of drug metabolites. M. Chorghade

10:50 Biomarkers of heterocyclic aromatic amines for molecular epidemiology studies. R.J. Turesky, Y. Wang, K. Pathak, S. Xiao, C. Weight, M. Malfatti, K. Turteltaub, K. White, L. Wilkens, L. Le Marchand

11:10 Chemistry and biology of N⁵-alkyl-Fapy-dG lesions. M.P. Stone, M. Egli, R.S. Lloyd, A. Mc Cullough, C.J. Rizzo, R.J. Turesky

11:30 Murder of John Bell: Reviewing a 200 year old paranormal murder mystery through the eyes of a chemical toxicologist. M. Mann

11:50 Using yeast to test the effect of CYPs on the toxicity of certain chemicals. R. Zeidan, R. Ma, R.A. Rudel, J. Ackerman, A. Loguinov, M. Tagmount, C. Vulpe, M. Fasulo

Computational Chemistry & Toxicology in Chemical Discovery & Assessment (QSARs)- Oral

Sponsored by AGRO, Cosponsored by COMP, ENVR and TOXI

WEDNESDAY AFTERNOON

DNA Repair & Its Role in Defining Human Susceptibility to Disease-Invited, Oral

Financially supported by NIEHS N. Y. Tretyakova, Organizer, Presiding

1:30 Introduction.

1:35 Repair of OG:A mismatches: From chemistry to MUTYH-associated polyposis and back again. S.S. David

2:15 Single molecule studies of DNA base excision repair. Z. Suo

2:55 DNA sculpting and moving metals in DNA repair nuclease specificity. S. Tsutakawa, J. Tainer

3:35 Intermission.

3:50 Replicative and translesion synthesis DNA polymerases in the repair of DNA interstrand crosslinks. U. Roy, S. Mukherjee, A. Sharma, O.D. Scharer

4:30 CELLULAR REPAIR OF DNA-PROTEIN CONJUGATES. N.Y. Tretyakova, A. Groehler, S. Ji, C. Campbel