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Submissions from 2017

Utilizing Mechanistic Cross-Linking Technology To Study Protein–Protein Interactions: An Experiment Designed for an Undergraduate Biochemistry Lab, Kara Finzel, Joris Beld, Michael D. Burkart, and Louise K. Charkoudian

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Controlled in-cell activation of RNA therapeutics using bond-cleaving bio-orthogonal chemistry, Irfan Khan, Leah M. Seebald, Neil M. Robertson, Mehmet V. Yigit, and Maksim Royzen

Cyanylated cysteine as an infrared reporter of protein-peptide interactions: Experimental measurements, molecular dynamics simulations and semi-quantitative calculations of IR lineshape, Casey H. Londergan and Rosalind J. Xu '18

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P450 monooxygenase ComJ catalyses side chain phenolic cross-coupling during complestatin biosynthesis, Aurelio Mollo '17, A. Nikolai von Krusenstiern '15, Joshua A. Bulos '16, Veronika Ulrich, Karin S. Akerfeldt, Max J. Cryle, and Louise K. Charkoudian

NCI calculations for understanding a physical phase transition in (C6H14N2)[Mn(H2O)6](SeO4)2, Houcine Naïli, Michel François, Alexander J. Norquist, and Walid Rekik

Dark reactions project: Undergraduate-driven discovery of new materials with cheminformatics, machine learning, and experiments (and robots) at a small liberal arts college, Joshua Schrier

Introduction to computational physical chemistry: Integrating computational method development into the standard undergraduate physical chemistry curriculum, Joshua Schrier

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Gas Separation through Bilayer Silica, the Thinnest Possible Silica Membrane, Joshua Schrier, Bowen Yao '17, and John Curry '15

Cobalt-based paramagnetic probe to study RNA-protein interactions by NMR, Leah M. Seebald, Christopher M. DeMott, Srivathsan Ranganathan, Papa Nii Asare-Okai, Anastasia Glazunova, Alan Chen, Alexander Shekhtman, and Maksim Royzen

Cu(II)-Based Paramagnetic Probe to Study RNA–Protein Interactions by NMR, Leah M. Seebald, Christopher M. DeMott, Srivathsan Ranganathan, Papa Nii Asare-Okai, Anastasia Glazunova, Alan Chen, Alexander Shekhtman, and Maksim Royzen

Submissions from 2016

Probing structural adaptability in templated vanadium selenites, Phillip D.F. Adler, Rosalind J. Xu '18, Matthew Smith '13, Katherine Elbert '14, Yunwen (Helen) Yang '15, Joshua Schrier, and Alexander J. Norquist

Symmetrical bis-tertiary amines as novel CXCR4 inhibitors, Renren Bai, Zhongxing Liang, Younghyoun Yoon, Shuangping Liu, Theresa Gaines, Yoonhyeun Oum, Qi Shi, Suazette Reid Mooring, and Hyunsuk Shim

Chiral and achiral copper(II) complexes: structure, bonding and biological activities, Assila Maatar Ben Salah, Nadhem Sayari, Houcine Naili, and Alexander J. Norquist

Impact of Oil Spills on Marine Life in the Gulf of Mexico: Effects on Plankton, Nekton, and Deep-Sea Benthos, Edward J. Buskey, Andrew J. Esbaugh, and Helen K. White

Comprehensive curation and analysis of fungal biosynthetic gene clusters of published natural products, Louise K. Charkoudian, Robert Parry '16, Kathleen Tsai '16, Beatrice Ary '15, Erin E. Berlew '15, Brenna Boehman '16, and David Findley '15

Designing convergent chemistry curricula, Louise K. Charkoudian, Nicole S. Sampson, Krishna Kumar, and Joshua A. Kritzer

Methods of Oil Detection in Response to the Deepwater Horizon Oil Spill, Robyn N. Conmy, Ian R. MacDonald, Christopher M. Reddy, and Helen K. White

Modeling Carbon Dioxide Vibrational Frequencies in Ionic Liquids: II. Spectroscopic Map, Clyde Daly, Eric J. Berquist, Thomas Brinzer, Sean Garrett-Roe, and Daniel S. Lambrecht

Synthesis and evaluation of 2,5 and 2,6 pyridine-based CXCR4 inhibitors, Theresa Gaines, Davita Camp, Renren Bai, Zhongxing Liang, Younghyoun Yoon, Hyunsuk Shim, and Suazette Reid Mooring

New Structural Data Reveal the Motion of Carrier Proteins in Nonribosomal Peptide Synthesis, Tiia Kittilae, Max J. Cryle, Aurelio Mollo '17, and Louise K. Charkoudian

Deep-sea coral C-13: A tool to reconstruct the difference between seawater pH and B-11-derived calcifying fluid pH, Patrick Martin, Nathalie F. Goodkin, Joseph A. Stewart, and Helen K. White

In Vivo Bioorthogonal Chemistry Enables Local Hydrogel and Systemic Pro-Drug To Treat Soft Tissue Sarcoma, Jose M. Meija Oneto, Irfan Khan, Leah M. Seebald, and Maksim Royzen

The role of inorganic acidity on templated vanadate composition and dimensionality, Anahita Nourmahnad '14, Malia B. Wenny '17, Matthias Zeller, Joshua Schrier, and Alexander J. Norquist

Examining the diversity of microbes in a deep-sea coral community impacted by the Deepwater Horizon oil spill, Helen K. White, Elizabeth W. Antzis '13, and R. L. Simister

Submissions from 2015

A Peptide from Human Semenogelin I Self-assembles into a pH-responsive Hydrogel, Birgitta Frohm, Jamie E. DeNizio, DavidS. M. Lee, Luigi Gentile, and Karin S. Akerfeldt

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Evolution of chemical diversity by coordinated gene swaps in type II polyketide gene clusters, Maureen Hillenmeyer, Gergana Vandova, Erin Berlew '15, and Louise K. Charkoudian

Non-Specific Blocking of miR-17-5p Guide Strand in Triple Negative Breast Cancer Cells by Amplifying Passenger Strand Activity, Yuan-Yuan Jin, Eric Wickstrom, and Jade Andrade '15

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Marsh plants mediate the influence of nitrogen fertilization on degradation of oil from the Deepwater Horizon spill, J. Adams Langley, Helen K. White, Reena U. Palanivel, Thomas Shannon, and Samantha K. Chapan

Dynamic Asymmetry and the Role of the Conserved Active-Site Thiol in Rabbit Muscle Creatine Kinase, Casey H. Londergan

EQeq plus C: An Empirical Bond-Order-Corrected Extended Charge Equilibration Metho, Geoffrey C. Martin-Noble '17, David Reilly '16, Luis M. Rivas '16, Matthew D. Smith '16, and Joshua Schrier

The role of non-covalent interactions on vanadium tellurite chain connectivities, Anahita Nourmahnad '14, Matthew D. Smith '13, Matthias Zeller, G. M. Gerrence, Joshua Schrier, and Alexander J. Norquist

Ethnic/Racial and Genetic Influences on Cerumen Odorant Profiles, Katharine Prokop-Prigge

Role of Noncovalent Interactions in Vanadium Tellurite Chain Connectivities, Joshua Schrier, Anahita Nourmahnad '14, Matthew D. Smith '13, and Matthias Zeller

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Bio-Inspired Electroactive Organic Molecules for Aqueous Redox Flow Batteries. 1. Thiophenoquinones, Joshua Schrier, Sergio D. Pineda Flores '15, Geoffrey C. Martin-Noble '17, and Richard L. Phillips '18

Protein Microgels from Amyloid Fibril Networks, Ulyana Shimanovich, Igor Efimov, Thomas O. Mason, Patrick Flagmeier, and Karin S. Akerfeldt

Examining the diversity of microbes in a deep-sea coral community impacted by the Deepwater Horizon oil spill, R. L. Simister, E W. Antzis '13, and Helen K. White

Degradation of Oil by Fungi Isolated from Gulf of Mexico Beaches, R. L. Simister, Carolyn M. Poutasse '15, Alana M. Thurston '16, Jen L. Reeve '14, Miranda C. Baker '17, and Helen K. White

Porous PMMA-titania composites: A step towards more sustainable photocatalysis, Benjamin D. Stewart, Lee G. Andrews, Bria S. Pelletier, Clyde Daly, and Joel E. Boyd

Submissions from 2014

Coral Communities as Indicators of Ecosystem-Level Impacts of the Deepwater Horizon Spill, Charles R. Fischer, Amanda W. J. Demopoulos, Erik E. Cordes, and Helen K. White

Drug Delivery: Materials Design and Clinical Perspective, Eric Holowka and Sujata K. Bhatia

Probing the Phosphopantetheine Arm Conformations of Acyl Carrier Proteins Using Vibrational Spectroscopy, Matthew Johnson '14, Casey H. Londergan, and Louise K. Charkoudian

Helium Isotope Enrichment by Resonant Tunneling through Nanoporous Graphene Bilayers, Salvatore Mandra and Joshua Schrier

Formation Principles for Vanadium Selenites: the Role of pH on Product Composition, Jacob H. Olshansky '12, Karina Wiener '15, Matt Smith '13, Anahita Nourmahnad '14, Max Charles '15, Joshua Schrier, and Alexander J. Norquist

Identification of volatile organic compounds in human cerumen, Katharine Prokop-Prigge

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Synthesis of pyridine derivatives as potential antagonists of chemokine receptor type 4, Suazette Reid Mooring, Theresa Gaines, Zhongxing Liang, and Hyunsuk Shim

Long-Term Persistence of Dispersants following the Deepwater Horizon Oil Spill, Helen K. White, Shelby L. Lyons '15, Sarah J. Harrison '13, and David M. Findley '15

Submissions from 2013

Noble Gas Separation using PG-ESX (X=1,2,3) Nanoporous Two-dimensional Polymers, Anna Brockway '12 and Joshua Schrier

Steric-Induced Layer Flection in Templated Vanadium Tellurites, Kelvin B. Chang '10, Matthew D. Smith '13, Samuel M. Blau '12, Ethan C. Glor '11, Joshua Schrier, and Alexander J. Norquist

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catena-Poly [2, 2', 2''-nitrilotris (ethanaminium)[tri--oxido-tris [dioxidovanadate (V)]] monohydrate], Kelvin B. Chang '10, Matthew D. Smith '13, Matthias Zeller, and Alexander J. Norquist

Analysis and Refactoring of A-74528 Biosynthetic Pathway, Jay T. Fitzgerald, Louise K. Charkoudian, Katharine R. Watts, and Chaitan Khosla

Forster resonance energy transfer studies of calmodulin produced by native protein ligation reveal inter-domain electrostatic repulsion, Erik Hellstrand, Stephanie Kukora '04, Cynthia F. Shuman, Karin S. Akerfeldt, Sarah Steenbergen '07, and Beth Krouse '05

A New Raman Spectroscopic Probe of Both the Protonation State and Noncovalent Interactions of Histidine Residues, Kevin W. Hoffman '12, Matthew G. Romei '14, and Casey H. Londergan

Photochemical Oxidation of a Manganese(III) Complex with Oxygen and Toluene Derivatives to Form a Manganese(V)-Oxo Complex, Jieun Jung, Kei Ohkubo, and Katharine Prokop-Prigge

Formation Principles for Templated Vanadium Selenite Oxalates, Jacob H. Koffer '13, Jacob H. Olshansksy '12, Matthew D. Smith '13, Joshua Schrier, and Alexander J. Norquist

Single-Molecule Piezoelectric Deformation: Rational Design from First-Principles Calculations, Xinfeng Quan, Christopher W. Marvin, Leah M. Seebald, and Geoffery R. Hutchinson

The structural transformation of monoclinic [(R)-C5H14N2][Cu(SO4)2(H2O)4]·2H2O into orthorhombic [(R)-C5H14N2]2[Cu(H2O)6](SO4)3: crystal structures and thermal behavior, Salem Saïd, Noureddine Mhadhbi, Fadhel Hajlaoui, and Alexander J. Norquist

Entropy-driven Molecular Separations in 2D-Nanoporous Materials, with Application to High-performance Paraffin/Olefin Membrane Separations, Kylen Solvik '15, Jessica Weaver '13, Anna Brockway '12, and Joshua Schrier

Expanding the Fluorine Chemistry of Living Systems Using Engineered Polyketide Synthase Pathways, Mark C. Walker, Benjamin W. Thuronyi, Louise K. Charkoudian, and Brian Lowry

Unresolved Complex Mixture (UCM) in Coastal Environments Is Derived from Fossil Sources, Helen K. White, Li Xu, Paul Hartmann, and James G. Quinn

Submissions from 2012

Calbindin D28k, Karin S. Akerfeldt, Sara Linse, Mikael Bauer, and Tommy Cedervall

Calcium-Dependent Interaction of Calmodulin with Human 80S Ribosomes and Polyribosomes, Petra Behnen, Elizabeth Davis, Erin Delaney '12, and Karin S. Akerfeldt

Natural product inhibitors of glucose-6-phosphate translocase, Louise K. Charkoudian, Bailey P. Farrell, and Chaitan Khosla

From Racemic to Polar Materials, R. Gautier, Alexander J. Norquist, and Kenneth R. Poeppelmeier

Sophorolipid Analog Compositions, Richard A. Gross and Mark H. Schofield

Monitoring structural transitions in intrinsically disordered proteins by vibrational spectroscopy of cyanylated cysteine, J. Habchi, Casey H. Londergan, S. Longhi, and Hailiu Yang '11

Synthesis, crystal structures and thermal behaviour of organic-inorganic hybrids incorporating a chiral diamine, Fadhel Hajlaoui, Houcine Naili, Samia Yahyaoui, and Alexander J. Norquist

Helium Tunneling through Nitrogen-Functionalized Graphene Pores: Pressure- and Temperature-Driven Approaches to Isotope Separation, A. W. Hauser, Joshua Schrier, and P. Schwerdtfeger

Role of Hydrogen-Bonding in the Formation of Polar Achiral and Nonpolar Chiral Vanadium Selenite Frameworks, Jacob H. Olshansky '12, T. T. Tran, K. J. Hernandez, Joshua Schrier, and Alexander J. Norquist

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Carbon Dioxide Separation with a Two-Dimensional Polymer Membrane, Joshua Schrier

Ethanol concentration by forward osmosis with solar-regenerated draw solution, Joshua Schrier

Thermally-driven isotope separation across nanoporous graphene, Joshua Schrier and James McClain '11

Inducing polarity in [VO3]nn- chain compounds using asymmetric hydrogen-bonding networks, Matthew D. Smith '13, Samuel M. Blau '12, Kelvin B. Chang '10, Joshua Schrier, and Alexander J. Norquist

Surprising metal binding properties of phytochelatin-like peptides prepared by protease-catalysis, Kodandaraman Viswanathan, Mark H. Schofield, Iwao Teraoka, and Richard A. Gross

Multiple lines of evidence link deep-water coral damage to Deepwater Horizon oil spill., Helen K. White

Impact of the Deepwater Horizon oil spill on a deep-water coral community in the Gulf of Mexico, Helen K. White, Pen Yuan Hsing, Walter Cho, and Timothy M. Shank

Reply to Boehm and Carragher: Multiple lines of evidence link deep-water coral damage to Deepwater Horizon oil spill, Helen K. White, P. Y. Hsing, Walter Cho, and Timothy M. Shank

Covalently Bound Azido Groups Are Very Specific Water Sensors, Even in Hydrogen-Bonding Environments, Marta P. Wolfshorndl '13, Rachel Baskin '14, Ishita Dhawan '14, and Casey H. Londergan

Submissions from 2011

Using Infrared Spectroscopy of Cyanylated Cysteine To Map the Membrane Binding Structure and Orientation of the Hybrid Antimicrobial Peptide CM15, Katherine N. Alfieri '10, Alice R. Vienneau '12, and Casey H. Londergan

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The Dissociation of Vibrationally Excited CH3OSO Radicals and Their Photolytic Precurson, Methoxysulfinyl Chloride, Bridget W. Alligood, Caroline C. Womack, Daniel B. Straus, and Frances Rose Blase

Probing the interactions of an acyl carrier protein domain from the 6-deoxyerythronolide B synthase, Louise K. Charkoudian, Corey W. Liu, Stephania Capone, and Shiven Kapur

New Solid Acids in the Triple-Layer Dion-Jacobson Layered Perovskite Family, Margret J. Geselbracht, Helen K. White, Jeanette M. Blainea, and Miranda J. Diaz

[R-C7H16N2][V2Te2O10] and [S-C7H16N2][V2Te2O10]; new polar templated vanadium tellurite enantiomers, Ethan C. Glor '11, Samuel M. Blau '12, J. Yeon, Alexander J. Norquist, and Joshua Schrier

Understanding an Order-Disorder Phase Transition in Ionothermally Synthesized Gallium Phosphates, Jacob H. Olshansky '12, Samuel M. Blau '12, Matthias Zeller, Alexander J. Norquist, and Joshua Schrier

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Fluorinated and Nanoporous Graphene Materials As Sorbents for Gas Separations, Joshua Schrier

Beyond Charge Density Matching: The Role of C–H···O Interactions in the Formation of Templated Vanadium Tellurites, Matthew D. Smith '13, Samuel M. Blau '12, Kelvin B. Chang '10, Joshua Schrier, and Alexander J. Norquist

From computational discovery to experimental characterization of a high hole mobility organic crystal, A. N. Sokolov, S. Atahan-Evrenk, R. Mondal, and Joshua Schrier

Predicting organic thin-film transistor carrier type from single molecule calculations, Adam V. Subhas '09, Jennifer Whealdon '13, and Joshua Schrier

Submissions from 2010

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Probing Structural Transitions in the Intrinsically Disordered C-Terminal Domain of the Measles Virus Nucleoprotein by Vibrational Spectroscopy of Cyanylated Cysteines, Connor G. Bischak '10, Sonia Longhi, David M. Snead '08, and Casey H. Londergan

The Role of Stereoactive Lone Pairs in Templated Vanadium Tellurite Charge Density Matching, Kelvin B. Chang '10, Desmond J. Hubbard '09, Matthias Zeller, Joshua Schrier, and Alexander J. Norquist

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In Living Color: Bacterial Pigments as an Untapped Resource in the Classroom and Beyond, Louise K. Charkoudian, Jay T. Fitzgerald, Chaitan Khosla, and Andrea Champlin

The Effects of a-Helical Structure and Cyanylated Cysteine on Each Other, Lena Edelstein '09, Matthew A. Stetz '08, Heather A. MacMahon '10, and Casey H. Londergan

Synthesis and Crosslinking of L-DOPA Containing Polypeptide Vesicles, Eric Holowka and Timothy J. Deming

A Slow Leak Synthetic Route to Organically Templated Gallium Sulfates, E. A. Kaufman, M. Zeller, and Alexander J. Norquist

Cyanylated Cysteine: A Covalently Attached Vibrational Probe of Protein-Lipid Contacts, Heather A. MacMahon '10, Katherine N. Alfieri '10, Katherine A. A. Clark '09, and Casey H. Londergan

Multiple Exciton Generation in Graphene Nanostructures, James McClain '11 and Joshua Schrier

Integrated Protein Array Screening and High Throughput Validation of 70 Novel Neural Calmodulin-binding Proteins, David J. O'Connell, Mikael C. Bauer, John O'Brien, and Karin S. Åkerfeldt

Helium Separation Using Porous Graphene Membranes, Joshua Schrier

Trigonal Bi- and Monopyramidal Cobalt(II) Complexes of a Novel Guanidine-Based Tripodal Ligand, Cassandra E. Searls '10, Scott T. Kleespies '08, Matthew L. Eppright '07, Sarina C. Schwartz '11, and Robert C. Scarrow

Theoretical Characterization of the Air-Stable, High-Mobility Dinaphtho[2,3-b:2'3'-f]thieno[3,2-b]-thiophene Organic Semiconductor, Roel S. Shancez-Carrera, Sule Atahan-Evrenk, Joshua Schrier, and Alan Aspuru-Guzik

Cloning, Sequencing, Heterologous Expression, and Mechanistic Analysis of A-74528 Biosynthesis, Kathia Zaleta-Rivera, Louise K. Charkoudian, Christian P. Ridley, and Chaitan Khosla