Scott J.N.,Montana State University |
Scott J.N.,University of Saint Francis |
Callis P.R.,Montana State University
Journal of Physical Chemistry B | Year: 2013
The steady state fluorescence spectral maximum (λmax) for tryptophan 140 of Staphylococcal nuclease remains virtually unchanged when nearby charged groups are removed by mutation, even though large electrostatic effects on λmax might be expected. To help understand the underlying mechanism of this curious result, we have modeled λmax with three sets of 50-ns molecular dynamics simulations in explicit water, equilibrated with excited state and with ground state charges. Semiempirical quantum mechanics and independent electrostatic analysis for the wild-type protein and four charge-altering mutants were performed on the chromophore using the coordinates from the simulations. Electrostatic contributions from the nearby charged lysines by themselves contribute 30-90 nm red shifts relative to the gas phase, but in each case, contributions from water create compensating blue shifts that bring the predicted λmax within 2 nm of the experimental value, 332 ± 0.5 nm for all five proteins. Although long-range collective interactions from ordered water make large blue shifts, crucial for determining the steady state λ max for absorption and fluorescence, such blue shifts do not contribute to the amplitude of the time dependent Stokes shift following excitation, which comes from nearby charges and only ∼6 waters tightly networked with those charges. We therefore conclude that for STNase, water and protein effects on the Stokes shift are not separable. © 2013 American Chemical Society.
King S.B.,University of Saint Francis
Analyses of Social Issues and Public Policy | Year: 2011
This article provides an overview of the role of social influence in modern U.S. military affairs. Many military strategists are now convinced that modern warfare is centered on a battle for public opinion, rather than a battle for physical terrain. As a result, new military periodic literature, texts, doctrine, and initiatives are increasingly likely to place social influence at the core of military operations. Unfortunately, this literature and doctrine is developing in a conversation that is almost completely independent of civilian university-based scholarly consideration. The goal of this civilian "primer" is to help bridge the gap between civilian and military scholarship by providing (1) an introduction to competing conceptions of the role of influence in modern war, (2) a brief description of current military initiatives using information operations, and (3) examples of influence tactics employed in recent U.S. military action. The article concludes by considering questions that modern military information operations raise about the intersection of social science, democracy, and war. © 2010 The Society for the Psychological Study of Social Issues.
Hargittai B.,University of Saint Francis
Structural Chemistry | Year: 2012
Herbert Brown discovered the reaction of hydroboration and the most successful compound he made was sodium borohydride. His life and research activities took interesting turns and seemed often governed by serendipity. He was consistent in his hard work and dedication to chemistry. He was both an inorganic and an organic chemist and his research often presented challenges to the structural chemists. © 2012 Springer Science+Business Media, LLC.
Geyer A.M.,University of Saint Francis
Journal of Chemical Education | Year: 2014
This work discusses the design and implementation of two online case studies in a face-to-face general chemistry course. The case studies were integrated into the course to emphasize the need for science literacy in general society, to enhance critical thinking, to introduce database searching, and to improve primary literature reading skills. An online social networking platform was chosen to take advantage of commonly used modes of conversation in the young adult population. Facebook was selected as the case study platform because of its functionality, popularity, and group capabilities. Details on the execution of the case studies on Facebook and corresponding student feedback are included. © 2014 The American Chemical Society and Division of Chemical Education, Inc.
Agency: NSF | Branch: Standard Grant | Program: | Phase: | Award Amount: 18.56K | Year: 2011
Understanding how quickly environmental reactions take place is the goal of EarthKin, a
geochemical database focusing on the rates of geochemical reactions. EarthKin
scientists from University of Maine, Penn State, Columbia, and Saint Francis University
will compile existing reaction rates into a one-stop database that will allow access to
researchers working on a diverse range of projects ranging from removing carbon
dioxide from the atmosphere and permanently storing it beneath the ground to cleaning
up contaminated environmental sites. When completed EarthKin will be available to
scientists free via the web at www.earthchem.org. Not only will we compile existing
data, but we will also encourage new researchers to become involved by uploading their
new results into the database.
Recent advances in geoinformatics (the subdiscipline of developing technological
and computation tools to facilitate information dissemination in the geosciences) have
drastically increased access that researchers have to geological information. Many
recent endeavors have focused on online publishing of large data sets in order to make
data available to the wider community. EarthKin is especially interesting in that it is one
of the first attempts to include experimental data in a web-based data management
platform. To do this, we will need to build new tools and data structures that will allow
the existing EarthChem platform to incorporate a new type of data.