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Submissions from 2021

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Computational Analysis Beyond the Monomer Frontier Orbitals for Photovoltaic Donor-Polymer Candidates, Mitchell E. Lahm, Megan M. Niblock, John M. Migliore, Kendra M. Mckenzie, Hans P. Lüthi, and Rollin A. King
Scharber et al. proposed an efficiency model for organic photovoltaic cells based on the orbital energies of the monomers of the donor- and acceptor- polymers [Advanced Materials 18 (2006) 789–794]. We report theoretical extensions of thi...

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3D-Printable and Open-Source Modular Smartphone Visible Spectrophotometer, Brandon Winters, Nick Banfield, Cassandra Dixon, Anna Swensen, Dakota Holman, and Braxton Fillbrown
The past four decades have brought significant and increasingly rapid changes to the world of instrument design, fabrication, and availability due to the emergence of 3D printing, open-source code and equipment, and low-cost electronics. Th...

Submissions from 2020

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An Autocrine Role for CXCL1 in Progression of Hepatocellular Carcinoma, Korbyn J.V. Dahlquist, Laura C. Voth, Amanda J. Fee, and Angela K. Stoeckman
Background: One of the most prevalent causes of cancer fatalities is hepatocellular carcinoma (HCC), which has been linked to metabolic syndrome. Circulating levels of the saturated fatty acid palmitate are elevated in metabolic syndrome an...

Submissions from 2018

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Decreasing Phosphatidylcholine on the Surface of the Lipid Droplet Correlates with Altered Protein Binding and Steatosis, Laura Listenberger, Elizabeth Townsend, Cassandra Rickertsen, Anastasia Hains, Elizabeth Brown, Emily G. Inwards, and Angela K. Stoeckman
Alcoholic fatty liver disease (AFLD) is characterized by an abnormal accumulation of lipid droplets (LDs) in the liver. Here, we explore the composition of hepatic LDs in a rat model of AFLD. Five to seven weeks of alcohol consumption led t...

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3D Printable Optomechanical Cage System with Enclosure, Brandon Winters and David Shepler
The advent of the computer-age in the mid to late 20th century brought the development of sophisticated scientific equipment for myriad chemical analyses. The field of spectroscopy alone has seen significant advances in data collection, pro...

Submissions from 2015

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Free-radical Copolymerisation of Acrylamides, Acrylates, and α-olefins, Rebecca K. Carlson, Rachel A. Lee, Jed H. Assam, Rollin A. King, and Megan L. Nagel
We report the results of a joint theoretical and experimental investigation into the copolymerisation of acrylamides and acrylates with α-olefins in free-radical processes. The transition-state structures of models for free-radical homo- an...

Submissions from 2011

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Sequencing of Amine Nucleoside Polymers: Understanding the Fidelity of DNA-Directed Reductive Amination, Sarah M. Anderson
DNA replication is a form of template-directed polymerization that occurs with the aid of numerous enzymes. By developing a DNA replication mimic that can undergo template-directed polymerization without enzymes, the scope of template-direc...

Submissions from 2007

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Photo-rearrangement of N-substituted pyridinium and meta-alkoxypyridinium ions, Kerri Grove, Rollin A. King, and Ulrich Burger
A computational study of the minimum-energy structures and transition states relevant to the photo-initiated rearrangement of N-substituted pyridinium and meta-alkoxypyridinium ions is reported. Density Functional Theory in the form of 6-31...