All Faculty and Research Staff Publications

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Hutchins PD, Russell JD, Coon JJ. Mapping Lipid Fragmentation for Tailored Mass Spectral Libraries. Journal of the American Society for Mass Spectrometry. 2019 ;30:659-668.
Shi YT, Johnson J, Wang BW, Chen BM, Fisher GL, Urabe G, Shi XD, Kent KC, Guo LW, Li LJ. Mass Spectrometric Imaging Reveals Temporal and Spatial Dynamics of Bioactive Lipids in Arteries Undergoing Restenosis. Journal of Proteome Research. 2019 ;18:1669-1678.
Shi YT, Li ZH, Felder MA, Yu QY, Shi XD, Peng YJ, Cao QJW, Wang B, Puglielli L, Patankar MS, et al. Mass Spectrometry Imaging of N-Glycans from Formalin-Fixed Paraffin-Embedded Tissue Sections Using a Novel Subatmospheric Pressure Ionization Source. Analytical Chemistry. 2019 ;91:12942-12947.
Trujillo EA, Hebert AS, Brademan DR, Coon JJ. Maximizing Tandem Mass Spectrometry Acquisition Rates for Shotgun Proteomics. Analytical Chemistry. 2019 ;91:12625-12629.
Liu L, Ward RM, Schomaker JM. Mechanistic Aspects and Synthetic Applications of Radical Additions to Allenes. Chemical Reviews. 2019 ;119:12422-12490.
Wang F, Stahl SS. Merging Photochemistry with Electrochemistry: Functional-Group Tolerant Electrochemical Amination of C(sp(3))-H Bonds. Angewandte Chemie-International Edition. 2019 ;58:6385-6390.
Perkins RJ, Hughes AJ, Weix DJ, Hansen EC. Metal-Reductant-Free Electrochemical Nickel-Catalyzed Couplings of Aryl and Alkyl Bromides in Acetonitrile. Org. Process Res. Dev. 2019 ;23:1746-1751.
Hao L, Zhu YR, Wei PL, Johnson J, Buchberger A, Frost D, Kao WJ, Li LJ. Metandem: An online software tool for mass spectrometry-based isobaric labeling metabolomics. Analytica Chimica Acta. 2019 ;1088:99-106.
Hermes ED, Janes AN, Schmidt JR. Micki: A python-based object-oriented microkinetic modeling code. Journal of Chemical Physics. 2019 ;151.
Fischer KC, Sherman SL, Voss JM, Zhou J, Garand E. Microsolvation Structures of Protonated Glycine and L-Alanine. Journal of Physical Chemistry A. 2019 ;123:3355-3366.
Alkmin S, Brodziski R, Simon H, Hinton D, Goldsmith RH, Patankar M, Campagnola PJ. Migration dynamics of ovarian epithelial cells on micro-fabricated image-based models of normal and malignant stroma. Acta Biomaterialia. 2019 ;100:92-104.
Esselman B, Zdanovskaia MA, Woods RC, McMahon RJ. Millimeter-wave spectroscopy of the chlorine isotopologues of 2-chloropyridine and twenty-three of their vibrationally excited states. Journal of Molecular Spectroscopy. 2019 ;365.
Yao M, Rawlings JB, Kuech TF. Modeling of transport and reaction in a novel hydride vapor phase epitaxy system. Journal of Crystal Growth. 2019 ;513:58-68.
Li XY, Schmidt JR. Modeling the Nucleation of Weak Electrolytes via Hybrid GCMC/MD Simulation. Journal of Chemical Theory and Computation. 2019 ;15:5883-5893.
Sibert EL. Modeling vibrational anharmonicity in infrared spectra of high frequency vibrations of polyatomic molecules. Journal of Chemical Physics. 2019 ;150.
Li GY, DeLaney K, Li LJ. Molecular basis for chirality-regulated A beta self-assembly and receptor recognition revealed by ion mobility-mass spectrometry. Nature Communications. 2019 ;10.
Zhang YQ, Tamijani AA, Taylor ME, Zhi B, Haynes CL, Mason SE, Hamers RJ. Molecular Surface Functionalization of Carbon Materials via Radical-Induced Grafting of Terminal Alkenes. Journal of the American Chemical Society. 2019 ;141:8277-8288.
Culpitt T, Yang Y, Schneider PE, Pavošević F, Hammes-Schiffer S. Molecular Vibrational Frequencies with Multiple Quantum Protons within the Nuclear-Electronic Orbital Framework. Journal of Chemical Theory and Computation. 2019 ;15:6840-6849.
Yang Y, Schneider PE, Culpitt T, Pavošević F, Hammes-Schiffer S. Molecular Vibrational Frequencies within the Nuclear-Electronic Orbital Framework. Journal of Physical Chemistry Letters. 2019 ;10:1167-1172.
Ostrander JS, Lomont JP, Rich KL, Saraswat V, Feingold BR, Petti MK, Birdsall ER, Arnold MS, Zanni MT. Monolayer Sensitivity Enables a 2D IR Spectroscopic Immuno-biosensor for Studying Protein Structures: Application to Amyloid Polymorphs. Journal of Physical Chemistry Letters. 2019 ;10:3836-3842.
Marx H, Coon JJ. MS-Helios: a Circos wrapper to visualize multi-omic datasets. Bmc Bioinformatics. 2019 ;20:21.
Jones AC, Kearns NM, Kunz MB, Flach JT, Zanni MT. Multidimensional Spectroscopy on the Microscale: Development of a Multimodal Imaging System Incorporating 2D White-Light Spectroscopy, Broadband Transient Absorption, and Atomic Force Microscopy. Journal of Physical Chemistry A. 2019 ;123:10824-10836.
Liu Y, Buchberger AR, DeLaney K, Li ZH, Li LJ. Multifaceted Mass Spectrometric Investigation of Neuropeptide Changes in Atlantic Blue Crab, Callinectes sapidus, in Response to Low pH Stress. Journal of Proteome Research. 2019 ;18:2759-2770.
Schwartz JJ, Boydston AJ. Multimaterial actinic spatial control 3D and 4D printing. Nature Communications. 2019 ;10(1):791.
Shin D, Gorgulla C, Boursier ME, Rexrode N, Brown EC, Arthanari H, Blackwell HE, Nagarajan R. N-Acyl Homoserine Lactone Analog Modulators of the Pseudomonas aeruginosa RhlI Quorum Sensing Signal Synthase. ACS Chemical Biology. 2019 ;14:2305-2314.
Boursier ME, Combs JB, Blackwell HE. N-Acyl L-Homocysteine Thiolactones Are Potent and Stable Synthetic Modulators of the RhlR Quorum Sensing Receptor in Pseudomonas aeruginosa. ACS Chemical Biology. 2019 ;14:186-191.
Li GY, Ma FF, Cao QJW, Zheng Z, DeLaney K, Liu R, Li LJ. Nanosecond photochemically promoted click chemistry for enhanced neuropeptide visualization and rapid protein labeling. Nature Communications. 2019 ;10.
Glendening ED, Landis CR, Weinhold F. NBO 7.0: New vistas in localized and delocalized chemical bonding theory. Journal of Computational Chemistry. 2019 ;40:2234-2241.
Mustafi M, Weisshaar JC. Near Saturation of Ribosomal L7/L12 Binding Sites with Ternary Complexes in Slowly Growing E. coli. Journal of Molecular Biology. 2019 ;431:2343-2353.
Niemuth NJ, Curtis BJ, Hang MN, Gallagher MJ, Fairbrother DH, Hamers RJ, Klaper RD. Next-Generation Complex Metal Oxide Nanomaterials Negatively Impact Growth and Development in the Benthic Invertebrate Chironomus riparius upon Settling. Environmental Science & Technology. 2019 ;53:3860-3870.
Garcia KJ, Gilbert MM, Weix DJ. Nickel-Catalyzed Addition of Aryl Bromides to Aldehydes To Form Hindered Secondary Alcohols. Journal of the American Chemical Society. 2019 ;141:1823-1827.
Andres J, Ayers PW, Boto RA, Carbo-Dorca R, Chermette H, Cioslowski J, Contreras-Garcia J, Cooper DL, Frenking G, Gatti C, et al. Nine questions on energy decomposition analysis. Journal of Computational Chemistry. 2019 .
Wang JL, Peurifoy SR, Bender MT, Ng F, Choi KS, Nuckolls C, Arnold MS. Non-fullerene Acceptors for Harvesting Excitons from Semiconducting Carbon Nanotubes. Journal of Physical Chemistry C. 2019 ;123:21395-21402.
Cho HW, Yethiraj A, Sung BJ. Non-universality of the dynamic exponent in two-dimensional random media. Scientific Reports. 2019 ;9.
Acharya D, Miller I, Cui YS, Braun DR, Berres ME, Styles MJ, Li LJ, Kwan J, Rajski SR, Blackwell HE, et al. Omics Technologies to Understand Activation of a Biosynthetic Gene Cluster in Micromonospora sp. WMMB235: Deciphering Keyicin Biosynthesis. ACS Chemical Biology. 2019 ;14:1260-1270.
Jaworski JN, Kozack CV, Tereniak SJ, Knapp SMM, Landis CR, Miller JT, Stahl SS. Operando Spectroscopic and Kinetic Characterization of Aerobic Allylic C-H Acetoxylation Catalyzed by Pd(OAc)(2)/4,5-Diazafluoren-9-one. Journal of the American Chemical Society. 2019 ;141:10462-10474.
Ghosh IN, Martien J, Hebert AS, Zhang YP, Coon JJ, Amador-Noguez D, Landick R. OptSSeq explores enzyme expression and function landscapes to maximize isobutanol production rate. Metabolic Engineering. 2019 ;52:324-340.
Bagchi K, Jackson NE, Gujral A, Huang CB, Toney MF, Yu L, de Pablo JJ, Ediger MD. Origin of Anisotropic Molecular Packing in Vapor-Deposited Alq3 Glasses. Journal of Physical Chemistry Letters. 2019 ;10:164-170.
Piszel PE, Vasilopoulos A, Stahl SS. Oxidative Amide Coupling from Functionally Diverse Alcohols and Amines Using Aerobic Copper/Nitroxyl Catalysis. Angewandte Chemie-International Edition. 2019 .
Ruiz M, Yang Y, Lochbaum CA, Delafield DG, Pignatello JJ, Li LJ, Pedersen JA. Peroxymonosulfate Oxidizes Amino Acids in Water without Activation. Environmental Science & Technology. 2019 ;53:10845-10854.
Brown KA, Chen BF, Guardado-Alvarez TM, Lin ZQ, Hwang L, Ayaz-Guner S, Jin S, Ge Y. A photocleavable surfactant for top-down proteomics. Nature Methods. 2019 ;16:417-+.
Wagner ER, Myers KS, Riley NM, Coon JJ, Gasch AP. PKA and HOG signaling contribute separable roles to anaerobic xylose fermentation in yeast engineered for biofuel production. Plos One. 2019 ;14.
Denu RA, Sass MM, Johnson JM, Potts GK, Choudhary A, Coon JJ, Burkard ME. Polo-like kinase 4 maintains centriolar satellite integrity by phosphorylation of centrosomal protein 131 (CEP131). Journal of Biological Chemistry. 2019 ;294:6531-6549.
Li YH, Yu JG, Hu SY, Chen ZX, Sacchetti M, Sun CC, Yu L. Polymer Nanocoating of Amorphous Drugs for Improving Stability, Dissolution, Powder Flow, and Tabletability: The Case of Chitosan-Coated Indomethacin. Mol Pharm. 2019 ;16:1305-1311.
Abbasi R, Jain R, Nelson K, Busche D, Lynn DM, Abbott NL. Polymeric Films Containing Sodium Chlorite That Release Disinfectant Gas upon Activation with UV Light. Advanced Functional Materials. 2019 ;29.
Slinger BL, Deay JJ, Chandler JR, Blackwell HE. Potent modulation of the CepR quorum sensing receptor and virulence in a Burkholderia cepacia complex member using non-native lactone ligands. Scientific Reports. 2019 ;9.
Niemi NM, Wilson GM, Overmyer KA, Vogtle FN, Myketin L, Lohman DC, Schueler KL, Attie AD, Meisinger C, Coon JJ, et al. Pptc7 is an essential phosphatase for promoting mammalian mitochondrial metabolism and biogenesis. Nature Communications. 2019 ;10.
Beller M, Shi F, Stahl SS. Preface to Special Issue of ChemSusChem: Sustainable Organic Synthesis. Chemsuschem. 2019 ;12:2834-2834.
Lopez ADR, Lee MR, Ortiz BJ, Gastfriend BD, Whitehead R, Lynn DM, Palecek SP. Preventing S. aureus biofilm formation on titanium surfaces by the release of antimicrobial beta-peptides from polyelectrolyte multilayers. Acta Biomaterialia. 2019 ;93:50-62.
Vinokur AI, Hilleke KP, Fredrickson DC. Principles of weakly ordered domains in intermetallics: the cooperative effects of atomic packing and electronics in Fe2Al5. Acta Crystallographica a-Foundation and Advances. 2019 ;75:297-306.