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Full-Text Articles in Physical Sciences and Mathematics

Advancing Computational Toxicology In A Regulatory Setting: A Selected Review Of The Accomplishments Of Gilman D. Veith (1944–2013), Steven P. Bradbury, Christine L. Russom, Patricia K. Schmieder, Terry W. Schultz, Robert Diderich, Charles M. Auer Jan 2015

Advancing Computational Toxicology In A Regulatory Setting: A Selected Review Of The Accomplishments Of Gilman D. Veith (1944–2013), Steven P. Bradbury, Christine L. Russom, Patricia K. Schmieder, Terry W. Schultz, Robert Diderich, Charles M. Auer

Steven P. Bradbury

With the passing of Dr. Gilman D. Veith on August 18, 2013, the research community lost one of its true visionaries in the development and implementation of alternative in silico and in vitro toxicology models in human health and ecological risk assessment. His career spanned more than four decades, during which he repeatedly demonstrated vision and leadership to advance alternative testing and assessment research and to guide the adoption of research accomplishments into U.S. and international chemical regulatory programs. His ability to advance toxicological and environmental exposure research, and associated quantitative structure– activity relationships (QSARs), for application in environmental regulatory …


Predicting Modes Of Toxic Action From Chemical Structure, Steven P. Bradbury, Christine L. Russom, Steven J. Broderius, Dean J. Hammermeister, Robert A. Drummond, Gilman D. Veith Jan 2013

Predicting Modes Of Toxic Action From Chemical Structure, Steven P. Bradbury, Christine L. Russom, Steven J. Broderius, Dean J. Hammermeister, Robert A. Drummond, Gilman D. Veith

Steven P. Bradbury

Like many of the papers in the Environmental Toxicology and Chemistry “Top 100” list, the development of the fathead minnow database [1] and the assignment of modes of action to the 617 chemicals therein resulted from a comprehensive research effort by a multidisciplinary team of researchers with expertise in quantitative structure–activity relationship (QSAR) modeling, chemistry, toxicokinetics, joint toxicity of chemical mixtures, and behavioral and aquatic toxicology. The fathead minnow database was the culmination of the US Environmental Protection Agency’s (USEPA) QSAR research program, which spanned nearly 20 yr, a rare program because many research planning efforts typically run within a …


Food Benefit And Climate Warming Potential Of Nitrogen Fertilizer Uses In China, Hanqin Tian, Chaoqun (Crystal) Lu, Jerry Melillo, Wei Ren, Yao Huang, Xiaofeng Xu, Mingliang Liu, Chi Zhang, Guangsheng Chen, Shufen Pan, Jiyuan Liu, John Reilly Jan 2012

Food Benefit And Climate Warming Potential Of Nitrogen Fertilizer Uses In China, Hanqin Tian, Chaoqun (Crystal) Lu, Jerry Melillo, Wei Ren, Yao Huang, Xiaofeng Xu, Mingliang Liu, Chi Zhang, Guangsheng Chen, Shufen Pan, Jiyuan Liu, John Reilly

Chaoqun (Crystal) Lu

Chemical nitrogen (N) fertilizer has long been used to help meet the increasing food demands in China, the top N fertilizer consumer in the world. Growing concerns have been raised on the impacts of N fertilizer uses on food security and climate change, which is lack of quantification. Here we use a carbon–nitrogen (C–N) coupled ecosystem model, to quantify the food benefit and climate consequence of agronomic N addition in China over the six decades from 1949 to 2008. Results show that N fertilizer-induced crop yield and soil C sequestration had reached their peaks, while nitrous oxide (N2O) emission continued …


Qsar Prioritization Of Chemical Inventories For Endocrine Disruptor Testing, Steven P. Bradbury, Patricia Schmeider, Ovanes Mekenyan, Gilman Veith Jan 2003

Qsar Prioritization Of Chemical Inventories For Endocrine Disruptor Testing, Steven P. Bradbury, Patricia Schmeider, Ovanes Mekenyan, Gilman Veith

Steven P. Bradbury

Binding affinity between chemicals and the estrogen receptor (ER) serves as an indicator of the potential to cause endocrine disruption through this receptor-mediated endocrine pathway. Estimating ER-binding affinity is, therefore, one strategic approach to reducing the costs of screening chemicals for potential risks of endocrine disruption. While measuring ER binding with in vitro assays may be the first choice in prioritizing chemicals for additional in vitro or in vivo estrogenicity testing, the time and costs associated with screening thousands of chemicals is prohibitive. Recent advances in 3D modeling of the reactivity of flexible structures make in silico methods for estimating …


Influence Of Suspended Solids On Acute Toxicity Of Carbofuran To Daphnia Magna: I. Interactive Effects, Steven P. Bradbury, Carl Herbrandson, Deborah L. Swackhamer Jan 2003

Influence Of Suspended Solids On Acute Toxicity Of Carbofuran To Daphnia Magna: I. Interactive Effects, Steven P. Bradbury, Carl Herbrandson, Deborah L. Swackhamer

Steven P. Bradbury

This study explored the effects on Daphnia magna from exposure to the pesticide carbofuran in combination with stress from suspended solids exposure. Our objective was to assess whether suspended solids affects the toxicodynamic response of D. magna to carbofuran. A series of laboratory experiments was performed where animals were exposed to carbofuran concentrations ranging from 0 to 160 mg/l in combination with suspended solids concentrations ranging from 0 to 10,000 mg/l. In the absence of suspended solids, effects of carbofuran were dose dependent and resulted in an EC(sub)50 of 92 mg/l. Exposure to suspended solids, up to extreme levels that …


Derivation Of Wildlife Values For Mercury, Steven P. Bradbury, John Nichols, Jeff Swartout Jan 1999

Derivation Of Wildlife Values For Mercury, Steven P. Bradbury, John Nichols, Jeff Swartout

Steven P. Bradbury

A procedure has been developed to estimate surface water concentrations of toxicants (“wildlife values”) that will protect the viability of wildlife populations associated with aquatic resources. This procedure was designed primarily to protect piscivorous birds and mammals from compounds that bioaccumulate in fish and was used in the Great Lakes Water Quality Initiative (GLI) to calculate wildlife values (WV) for mercury, DDT/DDE, total polychlorinated biphenyls (PCBs), and 2,3,7,8-tetrachlorodibenzodioxin (TCDD). Published in 1995, and expressed as total mercury in unfiltered water, the final wildlife value (WVf) for mercury derived in the GLI was 1300 pg Hg/L. This value was selected as …