Cramer Research

The authors would like to acknowledge the contributions of the following researchers J.R. DeBaun and L.S. Mullen-Rokita, for helpful discussions E.B. Cramer, for assisting with the adsorption measurements L.-S. Yu-Farina, for the water solubility and partition coefficient measurements H. Myers, for the vapor pressure measurements and R.R. Winter, for running the MACCS molecular structure analyses. 

Sunder, S., Taylor, P. Cramer, J. J. 1988. XPS and XRD studies of uranium rich minerals from Cigar Lake, Saskatchewan. Materials Research Society Symposia Proceedings, 112, 465-472. 

Born s idea of the dielectric continuum solvation approximation became very popular, and many researchers worked on its further development. Hence a brief overview of the most important development steps will be given, but it is impossible to mention all the different modifications and all workers who have been contributing to this field. Readers who seek a broader overview are referred to some reviews on continuum solvation methods, e.g., by Cramer and Truhlar [22] or by Tomasi and Persico [23]. The goal of the history given here is to enable... 

The group contribution method Stein and Brown (1994) developed is the most robust group contribution method that can be applied in a straightforward manner i.e., it can cover a broader variety of chemicals than the Simamora and Yalkowsky and Cramer methods (described above) and is relatively easy to use compared to the method of Lai et al. (1987) (described below). The work is an extension of the work by Jobak and Reid (1987). The extension is primarily an increase in the number of fragment constants, from 41 to 85. However, many of the new groups are simply subdivisions of those Jobak and Reid used. The method assumes no interaction between fragments. A computerized version of the estimation method, called MPBPVP, is available from Syracuse Research Corporation (Syracuse, NY). 

Henry S, Cramer G, Bolger M, et al. 1991. Exposures and risks of dioxin in the U.S. food supply. Proceedings of the 11th International Symposium on Chlorinated Dioxins and Related Compounds, Research Triangle Park, NC, 1 -18. 

D.G.T. is grateful to Christopher J. Cramer, Jiali Gao, Bruce C. Garrett, Gregory K. Schenter, and many students and postdoctoral research associates for collaboration on innumerable solvation projects. This work was supported in part by the National Science Foundation under grant no. CHE03-49122. 

The acid-catalyzed cyclization of the o-azomethine function to a (-aniline was first observed in 1938 by Rudy and Cramer,82 although this reaction was not recognized until recently and has been a subject of considerable research and of erroneous conclusions. The simple anils, exemplified by compound 167, were shown more recently to... 

Cramer has never regretted his switch to computational chentistry. Computational tools allow you to address an enormous breadth of chentistry. Experiments impose more of a focus. His enthusiasm for his research is readily apparent in any of his lectures, where he tries to relate his results back to experiment, because I was one [an experimentalist]. I really try to emphasize chemistry and not get caught up in the arcana of the calculations. Cramer also brings a sense of whimsy to his science. Take for example, the title When Anomeric Effects Collide (a paper by the way he feels has been overlooked) from one of his papers or his computational study of the molecule Y2K that appeared in 1999 in the journal Science as celebration of the upeoming millennium ... 

Cramer PH, Stanley JS, Thornburg KR (1990a) Mass spectral confimation of chlorinated and brominated diphenyl ether in human adipose tissues. Kansas City, Missouri, Midwest Research Institute (Prepared for the US Environmental Protection Agency, Wasington) (US NTIS report PB91-159699)... 

C. J. Cramer, private communication, 1993. AMSOL is based on AMPAC, with the inclusion of solvation effects. A fully parallel version of this code is under development by Cray Research Inc. See also, C. J. Cramer and D. G. Truhlar, Chapter 1, this volume. Continuum Solvation Models Classical and Quantum Mechanical Methods. 

Cramer III, R.D., Patterson, D.E., Clark, R.D., Soltanshahi, F. and Lawless, M.S. (1998). Visual Compound Libraries A New Approach to Decision Making in Molecular Discovery Research. J.Chem.Inf.Comput.Sci.,38,1010-1023. 

The general approach of simultaneously treating multiple-length scales has been pioneered by several research groups (Tadmor et al. 1993 Bulatov et al. 1998 Broughton et al. 1999 Tadmor et al. 2000 Rafii-Tabar 2000 Rudd and Broughton 2000). The general idea, of course, is to embed one type of calculation into another type of calculation. The concept is familiar in computational chemistry (Cramer and Truhlar... 

There has been extensive discussion of isomerization of olefins by homogeneous catalysts and considerable controversy as to when associative (to a-alkyl followed by reversion) and dissociative (to allyl followed by reversion) mechanisms apply for example, see Harrod and Chalk (80) and Cramer and Lindsey (81). It is interesting that the ideas, techniques (in particular, use of deuterium as a tracer), and controversy have almost exactly paralleled those of the earlier research on isomerization by heterogeneous catalysts. 

Lasagna, L. Hutt, P.B. Health Care, Research, and Regulatory Impact on Noncompliance. In Patient Compliance in Medical Practice and Clinical Trials, Cramer, J.A., Spilker, B., Eds. Raven Press, Ltd. New York, New York, 1991. 

Investigate Research the work of people like Carole L. Cramer. She s modifying common farm plants so that they produce human antibodies used to treat human illnesses. Use the link on the right or your school s media center to get started in your search. 

Cho, M.J., Thompson, D.P., Cramer, C.T., Vidmar, T.J. and Scieszka, J.F. (1989) The Madin-Darby canine kidney (MDCK) epithelial cell monolayer as a model cellular transport barrier. Pharmaceutical Research, 6, 71-77. 

Many researchers have employed log([M" J/[H i") versus log[H4Si04 j and similar diagrams to explain and interpret natural water systems, where M denotes a cation and n its charge (cf. Helge-sonetal. 1969 Lippmann 1979 Faust andAly 1981 Bowers et al. 1984 Drever 1988 Nesbitt and Wilson 1992 Anderson and Crerar 1993 Nordstrom and Munoz 1994 Cramer and Smellie 1994). Of necessity, simplified clay compositions have been assumed in order to show them on such diagrams. Assumptions and limitations comparable to those that were inherent in the construction and use of Figs. 9.8 and 9.9 apply to all such diagrams. 

Cramer RD, Patterson DE, Clark RD, Soltanshahi F, Lawless MS. Virtual compound libraries a new approach to decision making in molecular diversity research. J Chem Inf Comput Sci 1998 38 1010-1023. 

Moritz, J.S., Wilson, K.J., Cramer, K.R., Beyer, R.S., McKiimey, L.J., Cavalcanti, W.B., Mo, X. 2002. Effect of formnlation density, moistnre, and snrfactant on feed mannfac-tnring, pellet qnality, and broiler performance. Journal of Applied Poultry Research 11 ... 

Lowry R, Cramer RN, and Rickards LJ (1992) North Sea Project CD ROM and Users Guide. Swindon British Oceanographic Data Centre, Natural Environment Research Council of the United Kingdom. 

We were asked several years ago by the Northern Utilization Research and Development Division of the U.S. Department of Agriculture to study this selective hydrogenation. While our eflForts have not yet led to complete success, they have led to some interesting and useful results. In addition to soybean methyl ester, we have examined some short chain diolefins and some cyclic compounds such as cyclooctadiene. The catalyst that we first used was suggested by the work of Cramer, Lindsey, Prewitt, and Stolberg. It is a mixture of chloroplatinic acid(IV) and tin (II) chloride. We found that it is also a selective catalyst for the hydrogenation of soybean ester—selective in the sense that it leaves one double bond unhydrogenated. 

Lasagna L, Hutt PB (1991) Health care, research, and regulatory impact of non-compliance. In Cramer JA, Spilker B (eds). Compliance in Medical Practice and Clinical Trials. New Raven York 393-403. 

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