Submissions from 2024
Lowering Activation Barriers to Success in Physical Chemistry (LABSIP): A Community Project, Carlos R. Baiz, Robert F. Berger, Kelling J. Donald, Julio C. de Paula, and Casey Londergan
Employing Metadynamics to Predict the Membrane Partitioning of Carboxy-2H-Azirine Natural Products, Clyde Daly, Leah M. Seebald, and Emma Wolk '26
Active Learning of Ligands That Enhance Perovskite Nanocrystal Luminescence, Min A. Kim, Qianxiang Ai, Alexander J. Norquist, Joshua Schrier, and Emory M. Chan
Strategic acyl carrier protein engineering enables functional type II polyketide synthase reconstitution in vitro, Kevin Li '24, Yae In Cho, Rebecca S. Koweek '22, Ngoc Khanh Hoang '21, Grayson S. Hamrick '21, Margaret A. Bowen '23, Bashkim Kokona, and Louise K. Charkoudian
Insights into the Hierarchical Assembly of a Chemically Diverse Peptide Hydrogel Derived from Human Semenogelin I, Brett H. Pogostin '18, Kerilyn Godbe '16, Isabelle Angstman '20, William Fox '19, Natalie Giovino '17, Majita Lagator '17, Abigail Payson '17, Marisa LeBarca '21, Casey Londergan, and Karin S. Akerfeldt
Uridine Bisphosphonates Differentiate Phosphoglycosyl Transferase Superfamilies, Leah M. Seebald, Pouya Haratipour, and Michaela R. Jacobs
Optimized Bags of Artificial Neural Networks Can Predict the Viability of Organisms Exposed to Nanoparticles, Ravithree D. Senanayake, Clyde Daly, and Rigoberto Hernandez
Development of a universal method for vibrational analysis of the terminal alkyne C≡C stretch, Kristina Streu, Sara Hunsberger '22, Jeanette Patel '26, Xiang Wan, and Clyde Daly
Machine Learning-Based Investigation of Atomic Packing Effects: Chemical Pressures at the Extremes of Intermetallic Complexity, Jonathan S. Van Buskirk, Gordon G.C. Peterson, and Daniel C. Fredrickson
Submissions from 2023
Inclusivity in Introductory STEM Courses: A Guide to Improving Student (and Instructor!) Mindsets, Lou K. Charkoudian, Carla Fröhlich, and Mike Hildreth
An open-source environmental chamber for materials-stability testing using an optical proxy, Rodolfo Keesey, Armi Tiihonen, Margaret Zeile '21, Keqing He '24, and Alexander J. Norquist
Antimicrobial Resistance: Public Health Review of Policy, Education, and Treatment [senior thesis], Elizabeth Mari '23 and Leah M. Seebald (thesis advisor)
An updated catalogue of diverse type II polyketide synthase biosynthetic gene clusters captured from large- scale nucleotide databases, Christina M. McBride '23, Eric L. Miller, and Louise K. Charkoudian
A Modern Twist on an Old Measurement: Using Laboratory Automation and Data Science to Determine the Solubility Product of Lead Iodide, Alexander J. Norquist, Gabriel Jones-Thomson '23, Keqing He '24, Thomas Egg, and Joshua Schrier
In Pursuit of the Exceptional: Research Directions for Machine Learning in Chemical and Materials Science, Joshua Schrier, Alexander J. Norquist, Tonio Buonassisi, and Jakoah Brgoch
Submissions from 2022
Predicting compositional changes of organic–inorganic hybrid materials with Augmented CycleGAN, Qianxiang Ai, Alexander J. Norquist, and Joshua Schrier
Probing Monotopic Phosphoglycosyl Transferases from Complex Cellular Milieu, Alyssa J. Anderson, Leah Seebald, Christine A. Arbour, and Barbara Imperiali
Probing Monotopic Phosphoglycosyl Transferases from Complex Cellular Milieu, Alyssa J. Anderson, Leah M. Seebald, Christine A. Arbour, and Barbara Imperiali
Spatial Analysis and Lead-Risk Assessment of Philadelphia, USA, Hasibe Caballero-Gómez '21, Helen K. White, Michael J. O'Shea, Richard Pepino, and Marilyn Howarth
Engineered Chimeras Unveil Swappable Modular Features of Fatty Acid and Polyketide Synthase Acyl Carrier Proteins, Yae In Cho, Claire L. Armstrong '20, Casey Londergan, Clyde Daly, Louise K. Charkoudian, Ariana Sulpizio '21, Callie E. W. Crawford '22, Kofi K. Acheampong '19, Kameron N. Banks '20, Oishi Bardhan '20, Sydney J. Churchill '20, Annie E. Connolly-Sporing '20, Peter L. Cruz Parilla '20, Sarah M. Curtis '20, Lauren M. De La Rossa '20, Samuel C. Epstein '19, Clara J. Farrehi '20, Grayson S. Hamrick '21, William J. Hillegas '20, Austin Kang '20, Olivia C. Laxton '20, Joie Ling '20, Sara M. Matsumura '20, Victoria M. Merino '20, Shahla H. Mukhtar '24, and Neel J. Shah '20
Confronting Failure: Approaches to Building Confidence and Resilience in Undergraduate Researchers, Lisa A. Corwin, Louise K. Charkoudian, and Jennifer M. Heemstra
ActinoBase: tools and protocols for researchers working on Streptomyces and other filamentous actinobacteria, Morgan Anne Feeney, Jake Terry Newitt, Emily Addington, Louise K. Charkoudian, and Joshua G. Klein '20
The Cytochrome P450 OxyA from the Kistamicin Biosynthesis Cyclization Cascade is Highly Sensitive to Oxidative Damage, Anja Greule, Thierry Izore, Daniel Machell, Mathias H. Hansen, and Louise K. Charkoudian
Heterologous Expression, Purification, and Characterization of Type II Polyketide Synthase Acyl Carrier Proteins, Grayson S. Hamrick '21, Casey Londergan, and Louise K. Charkoudian
Principled Exploration of Bipyridine and Terpyridine Additives to Promote Methylammonium Lead Iodide Perovskite Crystallization, Noor Tital Putri Hartono, Mansoor Ani Najeeb, Zhi Li, Clare A. Fleming '24, Alexander J. Norquist, Philip W. Nega '16, and Xiaohe Sun
Dimensional Control over Metal Halide Perovskite Crystallization Guided by Active Learning, Zhi Li, Philip W. Nega '16, Mansoor Ani Najeeb Nellikkal, Chaochao Dun, and Alexander J. Norquist
Spatiotemporal Route to Understanding Metal Halide Perovskitoid Crystallization, Mansoor Ani Najeeb Nellikkal, Rodolfo Keesey, Margaret Zeile '16, Venkateswaran Shekar, and Alexander J. Norquist
Synergy of Analytical Approaches Enables a Robust Assessment of the Brazil Mystery Oil Spill, Christopher M. Reddy, Robert K. Nelson, Ulrich M. Hanke, Xingqian Cui, and Helen K. White
Frequency Changes in Terminal Alkynes Provide Strong, Sensitive, and Solvatochromic Raman Probes of Biochemical Environments, Matthew G. Romei '14, Eliana V. von Krusenstiern '18, Stephen T. Ridings '17, Renee N. King '16, Julia C. Fortier '18, Caroline A. McKeon '18, Krysta M. Nichols '25, Louise K. Charkoudian, and Casey Londergan
Active meta-learning for predicting and selecting perovskite crystallization experiments, Venkateswaran Shekar, Gareth Nicholas '20, Mansoor Ani Najeeb, Margaret Zeile '20, Vincent Yu '21, Xiaorong Wang '23, Dylan Slack '19, Alexander J. Norquist, and Sorelle Friedler
Submissions from 2021
Polymorphism in the metal-organic hybrid (PhCH2NEt3)(2)[CoBr4]: Synthesis, crystal structures and physico-chemical characterizations, Souad Dgachi, Mark M. Turnbull, Francesco Mezzadri, Alexander J. Norquist, and Albert Soran
Quantifying fear of failure in STEM: modifying and evaluating the Performance Failure Appraisal Inventory (PFAI) for use with STEM undergraduates, Meredith A. Henry, Shayla Shorter, Louise K. Charkoudian, Jennifer M. Heemstra, and Benjamin Le
Using automated serendipity to discover how trace water promotes and inhibits lead halide perovskite crystal formation, Philip Nega '16, Zhi Li, Victor Ghosh, Mansoor Nellikkal, and Alexander J. Norquist
pH-Responsive Capsules with a Fibril Scaffold Shell Assembled from an Amyloidogenic Peptide, Ulyana Shimanovich, Aviad Levin, Dror Eliaz, Thomas Michaels, and Karin S. Akerfeldt
Calmodulin complexes with brain and muscle creatine kinase peptides, Janina Sprenger, Anda Trifan, Neal Patel, and Karin S. Akerfeldt
Probing the structure and function of acyl carrier proteins to unlock the strategic redesign of type II polyketide biosynthetic pathways, Ariana Sulpizio '21, Callie E.W. Crawford '22, Rebecca Koweek '22, and Louise K. Charkoudian
Improving data and prediction quality of high-throughput perovskite synthesis with model fusion, Y. Tang, Z. Li, M. A.N. Nellikkal, H. Eramian, and Alexander J. Norquist
Predicting inorganic dimensionality in templated metal oxides, Davion M. Williams '23, Matthew Danielson '21, Joshua A. Engler '22, Zihui Ding '22, Alexander J. Norquist, and Joshua Schrier
Submissions from 2020
Vibrational Spectroscopic Map, Vibrational Spectroscopy, and Intermolecular Interaction, Carlos R. Baiz, Bartosz Blasiak, Bredenbeck Jens, and Casey Londergan
Hive minded: like neurons, honey bees collectively integrate negative feedback to regulate decisions, Talia Borofsky, Victor J. Barranca, Rebecca Zhou, Dora von Trentini '18, and Robert L. Broadrup
On the Mechanism of Self-Assembly by a Hydrogel-Forming Peptide, Gabriel A. Braun '19, Beatrice E. Ary '15, Matthew C.H. Rohn '20, Abigail M. Payson '17, David S.M. Lee '13, Robert C. Parry '16, Connie Friedman '15, and Karin S. Akerfeldt
Deuterium-Enhanced Raman Spectroscopy for Histidine pK(a) Determination in a pH-Responsive Hydrogel, Gabriel A. Braun '19, Brett H. Pogostin '18, Milda Pucetaite, Casey Londergan, and Karin S. Akerfeldt
Silicone Wristbands as Passive Samplers in Honey Bee Hives, Emma J. Bullock '19, Alexis M. Schafsnitz '17, Chloe H. Wang '17, Robert L. Broadrup, and Helen K. White
Surface Coating Structure and Its Interaction with Cytochrome c in EG6-Coated Nanoparticles Varies with Surface Curvature, Clyde Daly, Caley Allen, Nikita Rozanov, Gene Chong, and Eric S. Melby
Learning from the Machine: Uncovering Sustainable Nanoparticle Design Rules, Clyde Daly and Rigoberto Hernandez
Optimizing Bags of Artificial Neural Networks for the Prediction of Viability from Sparse Data, Clyde Daly and Rigoberto Hernandez
Structural and Functional Characterization of Phosphoglycosyl Transferases from Human Pathogens, Gregory Dodge, Katherine O'Toole, Hannah Bernstein, Leah M. Seebald, Karen N. Allen, and Barbara Imperiali
MIBiG 2.0: a repository for biosynthetic gene clusters of known function, Satria A. Kautsar, Kai Blin, Simon Shaw, Jorge C. Navarro-Munoz, Louise K. Charkoudian, Samuel C. Epstein '19, and Ashley C. Sisto '20
Widening the bottleneck: Heterologous expression, purification, and characterization of the Ktedonobacter racemifer minimal type II polyketide synthase in Escherichia coli, Joshua G. Klein '20, Yang Wu '19, Bashkim Kokona, 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
Gas chromatography – Mass spectrometry as a preferred method for quantification of insect hemolymph sugars, Christopher Mayack, Kathleen Carmichael, Nicole Phalen, Zaeema Khan, and Helen K. White
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, Charles T. Marx '20, 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
Deploying Fluorescent Nucleoside Analogues for High-Throughput Inhibitor Screening, Leah M. Seebald, Amaël G E Madec, and Barbara Imperiali
Identification of persistent oil residues in Prince William Sound, Alaska using rapid spectroscopic techniques, Helen K. White, Alexandra E. Morrison, Charvanaa Dhoonmoon '19, Hasibe Caballero-Gómez '21, Michelle Luu '20, Camille Samuels '21, and Charles T. Marx '20
Submissions from 2019
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
Understanding the lithium deficient LixNiyMnzCo1-y-zO2 (x < 1) cathode materials structure, Sung Jin Cho, Md Jamal Uddin, Ching Chang Chung, Stephen Podowitz-Thomas, and Jacob L. Jones
Modeling Carbon Dioxide Vibrational Frequencies in Ionic Liquids: IV. Temperature Dependence, Clyde Daly, Cecelia Allison, and Steven A. Corcelli
Counter Cations Affect Transport in Aqueous Hydroxide Solutions with Ion Specificity, Chad I. Drexler, Tierney C. Miller, Bradley A. Rogers, Yuguang C. Li, and Clyde Daly
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
Synthesis and evaluation of 2, 5-furan, 2, 5-thiophene and 3, 4-thiophene-based derivatives as CXCR4 inhibitors, Theresa Gaines, Francisco Garcia, Saniya Virani, Zhongxing Liang, Younghyoun Yoon, Yoon Hyeun Oum, Hyunsuk Shim, and Suazette Reid Mooring
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
The Use of Dispersants in Marine Oil Spill Response, Mary E. Landry, Eric Adams, Adriana Bejarano, Michel Boufadel, and Helen K. White
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, Sorelle Friedler, Mansoor Ani Najeeb, and Alexander J. Norquist
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, Cristóbal Pérez, Amanda L. Steber, Dylan Finestone, 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
Modeling Carbon Dioxide Vibrational Frequencies in Ionic Liquids: III. Dynamics and Spectroscopy, Thomas Brinzer, Clyde Daly, Cecelia Allison, Sean Garrett-Roe, and Steven A. Corcelli
Collaborating with Undergraduates To Contribute to Biochemistry Community Resources, Louise K. Charkoudian, Kathyn Haas, Jennifer Heemstra, and Marnix Medema
Cyanylated Cysteine Reports Site-Specific Changes at Protein-Protein-Binding Interfaces Without Perturbation, Shannon R. Dalton, Alice R. Vienneau '12, Shana R. Burstein '15, Rosalind J. Xu '18, Sara Linse, and Casey Londergan
Enthalpic Driving Force for the Selective Absorption of CO2 by an Ionic Liquid, Clyde Daly, Thomas Brinzer, Cecelia Allison, Sean Garrett-Roe, and Steven A. Corcelli
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, Kristen L. Kelly, Shannon R. Dalton, Rebecca B. Wai, Kanika Ramchandani '14, 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
Editorial: Research in Physical Chemistry at Primarily Undergraduate Institutions, Casey Londergan and Joshua Schrier
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
The Bend+Libration Combination Band Is an Intrinsic, Collective, and Strongly Solute-Dependent Reporter on the Hydrogen Bonding Network of Liquid Water, Pramod Kumar Verma, Matthew S. Puretz '13, Charvanaa Dhoonmoon '19, Oriana S. Chegwidden '11, and Casey Londergan
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, Yuheng Huang '19, Matthew D. Smith '16, Joshua Schrier, and Alexander J. Norquist