Chemistry Publications
Research in the Department of Chemistry covers a broad spectrum of chemical specialties but generally falls within three research themes: Materials and Biomaterials; Computational Sciences and Environmental Science and Ecology.
Visit the Department of Chemistry website for additional information.
Submissions from 2020
Gas Phase Protein Folding Triggered by Proton Stripping Generates Inside-Out Structures: A Molecular Dynamics Simulation Study., Alexander I M Sever and Lars Konermann
The architectural evolution of self-immolative polymers, Quinton E.A. Sirianni and Elizabeth R. Gillies
Analysis of Temperature-Dependent H/D Exchange Mass Spectrometry Experiments., Nastaran N Tajoddin and Lars Konermann
GSK3787-Loaded poly(Ester Amide) particles for intra-articular drug delivery, Ian J. Villamagna, Danielle M. McRae, Aneta Borecki, Xueli Mei, François Lagugné-Labarthet, Frank Beier, and Elizabeth Gillies
A Boron Difluoride Hydrazone (BODIHY) Polymer Exhibits Aggregation-Induced Emission, Alexander E. R. Watson, Joe Gilroy, and Daniela Cappello
Synthesis of Hexahydropyridazines by [4 + 2] Cycloaddition of Donor-Acceptor Cyclobutanes and, Jackie Wu, Paul Winiarz, Dhwanish Patel, Johanna de Jong, David Tong, Tristan Chidley, Naresh Vemula, and Brian L Pagenkopf
Benzosiloles with Crystallization-induced Emission Enhancement of Electrochemiluminescence: Synthesis, Electrochemistry, and Crystallography, Liuqing Yang, Donghyun Koo, Jackie Wu, Jonathan M. Wong, Tyler Day, Ruizhong Zhang, Harshana Kolongoda, Kehan Liu, Jian Wang, Zhifeng Ding, and Brian Pagenkopf
Transesterification of Poly(ethyl glyoxylate): A Route to Structurally Diverse Polyglyoxylates, Rebecca E. Yardley, Amir Rabiee Kenaree, Xiaoli Liang, and Elizabeth R. Gillies
Delineating Heme-Mediated versus Direct Protein Oxidation in Peroxidase-Activated Cytochrome, Victor Yin, Derek Holzscherer, and Lars Konermann
Submissions from 2019
Protein Ions Generated by Native Electrospray Ionization: Comparison of Gas Phase, Solution, and Crystal Structures., Maryam Bakhtiari and Lars Konermann
Carving Plasmon Modes in Silver Sierpiński Fractals, Isobel C. Bicket, Edson P. Bellido, Danielle M. McRae, Francois Lagugne-Labarthet, and Gianluigi A. Botton
Fabrication and In-Situ Cross-linking of Carboxylic Acid-Functionalized Poly(ester amide) Scaffolds for Tissue Engineering, Kai Cao, Derek S. Flegg, Shigang Lin, Francois Lagugne-Labarthet, Kibret Mequanint, and Elizabeth Gillies
Optoelectronic, Aggregation, and Redox Properties of Double-Rotor Boron Difluoride Hydrazone Dyes, Daniela Cappello, Denis A.B. Therien, Viktor N. Staroverov, Francois Lagugne-Labarthet, and Joe Gilroy
Altering the optoelectronic properties of boron difluoride formazanate dyes via conjugation with platinum(II)-acetylides, Jasveer S. Dhindsa, Adyn Melenbacher, Stephanie M. Barbon, Martin J. Stillman, and Joe Gilroy
On the primary structure of polysilenes and polygermenes, Bahareh Farhadpour, Jiacheng Guo, Douglas W. Hairsine, Joe B. Gilroy, and Kim M. Baines
Phosphonium Polyelectrolyte Complexes for the Encapsulation and Slow Release of Ionic Cargo, Tristan D. Harrison, Olga Yunyaeva, Aneta Borecki, Cameron C. Hopkins, John R. De Bruyn, Paul J. Ragogna, and Elizabeth R. Gillies
The Addition of a Cyclopropyl Alkyne to an Asymmetrically-Substituted Disilene: A Mechanistic Study, Andrew T. Henry, Jeremy L. Bourque, Isabell Vacirca, David Scheschkewitz, and Kim M. Baines
Development of Fertilizer Coatings from Polyglyoxylate-Polyester Blends Responsive to Root-Driven pH Change., Spencer M Heuchan, Bo Fan, Jessica J Kowalski, Elizabeth R Gillies, and Hugh A L Henry
C(sp3)-C(sp3) Coupling with a Pd(II) Complex Bearing a Structurally Responsive Ligand, Kyle M.K. Jackman, Benjamin J. Bridge, Ethan R. Sauve, Christopher N. Rowley, Cameron H.M. Zheng, James M. Stubbs, Paul D. Boyle, and Johanna M. Blacquiere
Synthesis of Pd phosphine-imine complexes and their reactivity with base, Kyle M.K. Jackman, Amanda A. Fogh, James M. Stubbs, and Johanna M. Blacquiere
What Is the Accuracy Limit of Adiabatic Linear-Response TDDFT Using Exact Exchange–Correlation Potentials and Approximate Kernels?, Jaspreet Kaur, Egor Ospadov, and Viktor N. Staroverov
Charging and supercharging of proteins for mass spectrometry: recent insights into the mechanisms of electrospray ionization., Lars Konermann, Haidy Metwally, Quentin Duez, and Insa Peters
Testing the Robustness of Solution Force Fields for MD Simulations on Gaseous Protein Ions., Justin H Lee, Katja Pollert, and Lars Konermann
Photocatalytic degradation of β-blockers in TiO2 with metoprolol as model compound. Intermediates and total reaction mechanism, Elisa Leyva, Edgar Moctezuma, Mariana López, Kim M. Baines, and Brenda Zermeño
Oxoborane Formation Turns on Formazanate-Based Photoluminescence, Ryan R. Maar, Nicholas A. Hoffman, Viktor N. Staroverov, and Joe Gilroy