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Submissions from 2020

Vibrational Spectroscopic Map, Vibrational Spectroscopy, and Intermolecular Interaction, Carlos R. Baiz, Bartosz Blasiak, Bredenbeck Jens, and Casey Londergan

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MIBiG 2.0: a repository for biosynthetic gene clusters of known function, Satria A. Kautsar, Kai Blin, Simon Shaw, Jorge C. Navarro-Munoz, and Louise K. Charkoudian

The first decade of scientific insights from the Deepwater Horizon oil release, Elizabeth B. Kujawinski, Christopher M. Reddy, Ryan P. Rodgers, J. Cameron Thrash, and Helen K. White

Probing the Chemical Transformation of Seawater-Soluble Crude Oil Components during Microbial Oxidation, Yina Liu, Helen K. White, Rachel Simister, David W. Waite, and Shelby L. Lyons '15

Robot-Accelerated Perovskite Investigation and Discovery, Zhi Li, Liana Alves '18, Alyssa Sherman '18, Peter Cruz Parrilla '20, Philip Nega '16, and Alexander J. Norquist

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Quantum cascade laser-based reflectance spectroscopy: a robust approach for the classification of plastic type, Anna P.M. Michel, Alexandra E. Morrison, Beckett C. Colson, William A. Pardis, and Helen K. White

Rapid Identification of Marine Plastic Debris via Spectroscopic Techniques and Machine Learning Classifiers, Anna P. M. Michel, Alexandra E. Morrison, Victoria L. Preston, and Helen K. White

Machine-Learning-Assisted Synthesis of Polar Racemates, Matthew L. Nisbet, Ian M. Pendleton, Gene M. Nolis, Kent J. Griffith, and Alexander J. Norquist

Now is the time to curate your data: Use the shutdown as an opportunity, Alexander J. Norquist and Joshua Schrier

Can Machines “Learn” Halide Perovskite Crystal Formation without Accurate Physicochemical Features?, Ian M. Pendleton, Mary K. Chaucci, Michael Tynes, Aaron Dharna, and Alexander J. Norquist

Submissions from 2019

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Honey bee (Apis mellifera) exposomes and dysregulated metabolic pathways associated with Nosema ceranae infection., Robert L. Broadrup, Christopher Mayack, Sassicaia J. Schick, and Helen K. White

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Tracking carrier protein motions with Raman spectroscopy, Samuel C. Epstein '19, Adam R. Huff, Emily S. Winesett '16, Casey H. Londergan, and Louise K. Charkoudian

Studying trans-acting enzymes that target carrier protein-bound amino acids during nonribosomal peptide synthesis, Anja Greule, Louise K. Charkoudian, and Max J. Cryle

FAIL Is Not a Four-Letter Word: A Theoretical Framework for Exploring Undergraduate Students’ Approaches to Academic Challenge and Responses to Failure in STEM Learning Environments, Meredith A. Henry, Shayla Shorter, Louise K. Charkoudian, and Jennifer M. Heemstra

Templated vanadium tellurites: Identifying the effects of low density attractions on inorganic layer topology, Xiwen Jia '19, Jessica L. Dixon '16, Matthias Zeller, Joshua Schrier, and Alexander J. Norquist

Anthropogenic biases in chemical reaction data hinder exploratory inorganic synthesis, Xiwen Jia '19, Allyson Lynch '21, Yuheng Huang '19, Matthew Danielson '21, Alexander J. Norquist, and Sorelle Friedler

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The Use of Dispersants in Marine Oil Spill Response, Mary E. Landry, Eric Adams, Adriana Bejarano, Michel Boufadel, and Helen K. White

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Hurricane Isaac brings more than oil ashore: Characteristics of beach deposits following the Deepwater Horizon spill, Karin L. Lemkau, Christopher M. Reddy, Catherine A. Charmichael, and Helen K. White

Research in Physical Chemistry at Primarily Undergraduate Institutions, Casey Londergan and Joshua Schrier

Appetite is correlated with octopamine and hemolymph sugar levels in forager honeybees, Christopher Mayack, Nicole Phalem, Kathleen Carmichael, and Helen K. White

Rapid Identification of Deepwater Horizon Oil Residues Using X-ray Fluorescence, Anna P. M. Michel, Alexandra E. Morrison, Charles E. Marx '20, and Helen K. White

Research in Physical Chemistry at Primarily Undergraduate Institutions, Alexander J. Norquist and Joshua Schrier

Experiment Specification, Capture and Laboratory Automation Technology (ESCALATE): a software pipeline for automated chemical experimentation and data management, Ian M. Pendleton, Gary Cattabriga, Zhi Li, and Sorelle Friedler

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pKa Determination of a Histidine Residue in a Short Peptide Using Raman Spectroscopy, Brett H. Pogostin '18, Anders Malmendal, Casey H. Londergan, and Karin S. Akerfeldt

Enantiomeric Analysis of Chiral Isotopomers via Microwave Three-Wave Mixing, Lincoln Satterthwaite '18, Cristobal Perez, Amanda Steber, and Robert L. Broadrup

Examining Inputs of Biogenic and Oil-Derived Hydrocarbons in Surface Waters Following the Deepwater Horizon Oil Spill, Helen K. White, Charles T. Marx '20, David L. Valentine, and Charles Sharpless

Submissions from 2018

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Collaborating with Undergraduates To Contribute to Biochemistry Community Resources, Louise K. Charkoudian, Kathyn Haas, Jennifer Heemstra, and Marnix Medema

A standardized workflow for submitting data to the Minimum Information about a Biosynthetic Gene cluster (MIBiG) repository: prospects for research-based educational experiences, Samuel C. Epstein '19, Louise K. Charkoudian, and Marnix H. Medema

Pelagic tar balls collected in the North Atlantic Ocean and Caribbean Sea from 1988 to 2016 have natural and anthropogenic origins, Hilary S. Green, Sarah A. Fuller, Audrey W. Meyer, and Helen K. White

Development and Characterization of Two Phenylalanine Derivatives for use as Raman Probes in Proteins, Joie Ling '20, Eliana von Krusenstiern '18, and Casey H. Londergan

Conformational Ensembles of Calmodulin Revealed by Nonperturbing Site-Specific Vibrational Probe Groups, Casey H. Londergan, K. L. Kelly, Shannon R. Dalton, R. B. Wai, K. Ramchandani, and Rosalind J. Xu '18

Characterization of Membrane-Bound Alpha-Synuclein with the Thiocyanate Vibrational Probe Group, Casey H. Londergan, Franklin A. Kostas '18, Kavita Shroff '17, Kristen E. Fiore '17, and Daniel M. Konstantinovsky '16

Relating the Vibrational Lineshapes of the Thiocyanate (SCN) Probe to Structures and Dynamics in Calmodulin Ensembles via Computational Approaches, Casey H. Londergan, Rosalind J. Xu '18, Shannon R. Dalton, and Kristen L. Kelly

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Vibrant symbiosis: Achieving reciprocal science outreach through biological art, Lindsey E. Lopes '16, Sarah J. Waldis '16, Stephanie M. Terrell '18, Kristin Lindgren, and Louise K. Charkoudian

Disaggregation of gold nanoparticles by Daphnia magna, Karin Mattsson, Ruben Aguilar '16, Oscar Torstensson, Diana Perry '15, and Karin S. Akerfeldt

Probing Substrate Sequestration in Carrier Proteins using Vibrational Spectroscopy Labels and Molecular Dynamic Simulations, Caroline McKeon '18, Louise K. Charkoudian, and Casey H. Londergan

Chemical characterization of natural and anthropogenic-derived oil residues on Gulf of Mexico beaches, Alexandra E. Morrison '18, Charvanaa Dhoonmoon '19, and Helen K. White

The effect of divalent cations on the thermostability of type II polyketide synthase acyl carrier proteins, Marco A. Rivas '18, Valentine C. Courouble '17, Miranda C. Baker '17, David L. Cookmeyer '16, Kristen E. Fiore '17, Alexander J. Frost '17, Kerilyn N. Godbe '16, Michael R. Jordan '17, Emily N. Krasnow '17, Aurelio Mollo '17, Stephen T. Ridings '17, Keisuke Sawada '17, Kavita D. Shroff '17, Bradley Studnitzer '17, Grace A. R. Thiele '17, Ashley C. Sisto '20, Saadia Nawal '16, Robert Fairman, Karl A. Johnson, Bashkim Kokona, and Louise K. Charkoudian

Integrating GC/TOF Exposome Profiling and Genetic Disease Screening to Provide a Holistic Perspective on Honey Bee Health, Helen K. White, Robert L. Broadrup, Sassicaia J. Schick, Colin MacKay, and A. Macherone

A Direct, Quantitative Connection between Molecular Dynamics Simulations and Vibrational Probe Line Shapes, Rosalind J. Xu '18, Bartosz Blasiak, Minhaeng Cho, Joshua P. Layfield, and Casey H. Londergan

Understanding structural adaptability: a reactant informatics approach to experiment design' involves the use of machine learning to better understand structural and electronic adaptability in a vanadium selenite later topology, Rosalind J. Xu 18, Jacob H. Olshansksy '12, Y. Huang '19, Matthew D. Smith '16, Joshua Schrier, and Alexander J. Norquist

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

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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

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

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P450 monooxygenase ComJ catalyses side chain phenolic cross-coupling during complestatin biosynthesis, Louise K. Charkoudian

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

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

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

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

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

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 '16, 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

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

The role of inorganic acidity on templated vanadate composition and dimensionality, Joshua Schrier, Anahita Nourmahnad '14, and Malia Wenny '17

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

Submissions from 2015

A Peptide from Human Semenogelin I Self-assembles into a pH-responsive Hydrogel, B. Frohm, J. E. DeNizio, D. S. M. Lee, L. 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

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 S. 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

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

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, S. Linse, M. Bauer, and T. Cedervall

Calcium-Dependent Interaction of Calmodulin with Human 80S Ribosomes and Polyribosomes, P. Behnen, E. 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