Submissions from 2018
Method Evaluations for Adsorption Free Energy Calculations at the Solid/Water Interface through Metadynamics, Umbrella Sampling, and Jarzynski's Equality, Yang Yang, Quichao Wei, Weilong Zhao, Beiliang Cui, and Zhijun Xu
Structure analysis of collagen fibril at atomic-level resolution and its implications for intra-fibrillar transport in bone biomineralization, Yang Yang, Zhijun Xu, Weilong Zhao, Ziqui Wang, and Nita Sahai
Submissions from 2017
Modeling Carbon Dioxide Vibrational Frequencies in Ionic Liquids: I. Ab Initio Calculations, Eric J. Berquist, Clyde Daly, Thomas Brinzer, Krista K. Bullard, and Zachary M. Campbell
Vibrational Probes: From Small Molecule Solvatochromism Theory and Experiments to Applications in Complex Systems, Bartosz Blasiak, Casey H. Londergan, Lauren J. Webb, and Minhaeng Cho
Acyl Carrier Protein Cyanylation Delivers a Ketoacyl Synthase–Carrier Protein Cross-Link, Louise K. Charkoudian, Grace Thiele '17, Connie Friedman '15, Katie Tsai '16, and Casey H. Londergan
Decomposition of the Experimental Raman and Infrared Spectra of Acidic Water into Proton, Special Pair, and Counterion Contributions, Clyde Daly, Louis M. Streacker, Yuchen Sun, Shannon R. Pattenaude, and Ali A. Hassanali
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
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
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
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
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
Comprehensive curation and analysis of fungal biosynthetic gene clusters of published natural products, Yong Fuga Li, Colin Harvey, Louise K. Charkoudian, Robert Parry '16, Kathleen Tsai '16, Beatrice Ary '15, Erin E. Berlew '15, Brenna Boehman '16, David Findley '15, Alexandra G. Friant '15, Christopher A. Gardner '15, Michael P. Gould '15, Jae H. Ha '15, Brenna K. Lilley '15, Emily L. McKinstry '15, Saadia Nawal '16, Robert C. Parry '16, Krstina W. Rothchild '16, Samantha D. Silbert '15, Michael D. Tentilucci '15, Alana m. Thurston '16, Rebecca B. Wai '15, and Yongjin Yoon '16
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
Dynamic Discussions and Informed Improvements: Student-led Revision of First-Semester Organic Chemistry, Louise Charkoudian, Anna C. Bitners '16, Noah B. Bloch '16, and Saadia Nawal '16
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
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
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 Biogeography of Putative Microbial Antibiotic Production, Helene Morlon, Timothy O'Connor, Jessica A. Bryant, Louise Charkoudian, and Kathryn M. Docherty
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
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
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
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
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
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
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
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
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