Search Results - "Scott Hopkins, W"

Applying Machine Learning to Vibrational Spectroscopy by Fu, Weiqiang, Hopkins, W. Scott

“…The low-energy region of the potential energy surface (PES) of the protonated phenylalanine/serine dimer is mapped using the basin-hoping search algorithm, and…”
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Rapid separation of cannabinoid isomer sets using differential mobility spectrometry and mass spectrometry by Mashmoushi, Nour, Larry Campbell, J, di Lorenzo, Robert, Scott Hopkins, W

“…With legalization and decriminalization of cannabis in many parts of the world comes the need for rapid separation and quantitation of the psychoactive…”
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Application of in vivo solid phase microextraction (SPME) in capturing metabolome of apple (Malus ×domestica Borkh.) fruit by Risticevic, Sanja, Souza-Silva, Erica A., Gionfriddo, Emanuela, DeEll, Jennifer R., Cochran, Jack, Hopkins, W. Scott, Pawliszyn, Janusz

“…An in vivo direct-immersion SPME sampling coupled to comprehensive two-dimensional gas chromatography – time-of-flight mass spectrometry (GCxGC-ToFMS) was…”
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Studying Gas-Phase Interconversion of Tautomers Using Differential Mobility Spectrometry by Campbell, J. Larry, Yang, Amy Meng-Ci, Melo, Luke R., Hopkins, W. Scott

“…In this study, we report on the use of differential mobility spectrometry (DMS) as a tool for studying tautomeric species, allowing a more in-depth…”
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Characterizing the Tautomers of Protonated Aniline Using Differential Mobility Spectrometry and Mass Spectrometry by Walker, Stephen W. C, Mark, Alison, Verbuyst, Brent, Bogdanov, Bogdan, Campbell, J. Larry, Hopkins, W. Scott

“…The site of protonation for gas-phase aniline has been debated for many years, with many research groups contributing experimental and computational evidence…”
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Action spectroscopy of the isolated red Kaede fluorescent protein chromophore by Coughlan, Neville J A, Stockett, Mark H, Kjær, Christina, Ashworth, Eleanor K, Bulman Page, Philip C, Meech, Stephen R, Brøndsted Nielsen, Steen, Blancafort, Lluís, Hopkins, W Scott, Bull, James N

“…Incorporation of fluorescent proteins into biochemical systems has revolutionized the field of bioimaging. In a bottom-up approach, understanding the…”
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Preferential Ion Microsolvation in Mixed-Modifier Environments Observed Using Differential Mobility Spectrometry by Coughlan, Neville J. A., Liu, Chang, Lecours, Michael J., Campbell, J. Larry, Hopkins, W. Scott

“…The preferential solvation behavior for eight different derivatives of protonated quinoline was measured in a tandem differential mobility spectrometer mass…”
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Assessing the impact of anion-π effects on phenylalanine ion structures using IRMPD spectroscopy by Burt, Michael, Wilson, Kathleen, Marta, Rick, Hasan, Moaraj, Scott Hopkins, W, McMahon, Terry

“…The gas-phase structures of two halide-bound phenylalanine anions (PheX(-), X = Cl(-) or Br(-)) and five fluorinated derivatives have been identified using…”
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Mode-specific fragmentation of amino acid-containing clusters by Hopkins, W Scott, Marta, Rick A, Steinmetz, Vincent, McMahon, Terry B

“…A combination of infrared multiple photon dissociation (IRMPD) spectroscopy and density functional theory calculations have been employed to study the…”
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Determining molecular properties with differential mobility spectrometry and machine learning by Walker, Stephen W. C., Anwar, Ahdia, Psutka, Jarrod M., Crouse, Jeff, Liu, Chang, Le Blanc, J. C. Yves, Montgomery, Justin, Goetz, Gilles H., Janiszewski, John S., Campbell, J. Larry, Hopkins, W. Scott

“…The fast and accurate determination of molecular properties is highly desirable for many facets of chemical research, particularly in drug discovery where…”
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Investigating the Rydberg states and photodissociation dynamics of Kr2 using velocity map imaging by Stienstra, Cailum MK, Coughlan, Neville JA, Haack, Alexander, Carr, Patrick JJ, Crouse, Jeff, Featherstone, Joshua, Hopkins, W Scott

“…Although the krypton dimer, Kr2, is a prototypical weakly bound van der Waals complex in its ground electronic state, the excited states of Kr2 exhibit many…”
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Proton-Bound 3‑Cyanophenylalanine Trimethylamine Clusters: Isomer-Specific Fragmentation Pathways and Evidence of Gas-Phase Zwitterions by Hopkins, W. Scott, Marta, Rick A., McMahon, Terry B.

“…The structures and dissociation pathways of the proton-bound 3-cyano­phenyl­alanine·trimethylamine cluster have been studied using a combination of infrared…”
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Trapping a Photoelectron behind a Repulsive Coulomb Barrier in Solution by Cheng, Meixin, Rivas, Nicolás, Lim, Su Ji, Pichugin, Kostyantyn, Petruk, Ariel A, Klinkova, Anna, Smith, Rodney, Hopkins, W. Scott, Sciaini, Germán

“…Multiply charged anions (MCAs) display unique photophysics and solvent-stabilizing effects. Well-known aqueous species such as SO4 2– and PO4 3– experience…”
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The structures and properties of proton- and alkali-bound cysteine dimers by Ieritano, Christian, Carr, Patrick J J, Hasan, Moaraj, Burt, Michael, Marta, Rick A, Steinmetz, Vincent, Fillion, Eric, McMahon, Terrance B, Scott Hopkins, W

“…The proton-, lithium-, and sodium-bound cysteine dimers have been investigated in a joint computational and experimental infrared multiple photon dissociation…”
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Infrared Induced Reactivity on the Surface of Isolated Size-Selected Clusters: Dissociation of N2O on Rhodium Clusters by Hamilton, Suzanne M, Hopkins, W. Scott, Harding, Dan J, Walsh, Tiffany R, Gruene, Philipp, Haertelt, Marko, Fielicke, André, Meijer, Gerard, Mackenzie, Stuart R

“…Multiple photon infrared excitation of size-selected Rh6N2O+ clusters drives surface chemistry resulting in partially oxidized clusters…”
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Infrared-Induced Reactivity of N2O on Small Gas-Phase Rhodium Clusters by Hamilton, Suzanne M, Hopkins, W. Scott, Harding, Dan J, Walsh, Tiffany R, Haertelt, Marko, Kerpal, Christian, Gruene, Philipp, Meijer, Gerard, Fielicke, André, Mackenzie, Stuart R

“…Far- and mid-infrared multiple photon dissociation spectroscopy has been employed to study both the structure and surface reactivity of isolated cationic…”
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Kinetics in DMS: Modeling Clustering and Declustering Reactions by Haack, Alexander, Hopkins, W. Scott

“…Differential mobility spectrometry (DMS) uses high-frequency oscillating electrical fields to harness the differential mobility of ions for separating complex…”
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Argentination: A Silver Bullet for Cannabinoid Separation by Differential Mobility Spectrometry by Ieritano, Christian, Thomas, Patrick, Hopkins, W. Scott

“…As the legality of cannabis continues to evolve globally, there is a growing demand for methods that can accurately quantitate cannabinoids found in commercial…”
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Chemical Transformations Can Occur during DMS Separations: Lessons Learned from Beer’s Bittering Compounds by Ieritano, Christian, Haack, Alexander, Hopkins, W. Scott

“…While developing a DMS-based separation method for beer’s bittering compounds, we observed that the argentinated forms of humulone tautomers (i.e., [Hum +…”
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“Thermometer” Ions Can Fragment Through an Unexpected Intramolecular Elimination: These Are Not the Fragments You Are Looking For by Ieritano, Christian, Hopkins, W. Scott

“…Benzylpyridinium analogs are effective thermometer ions since monitoring the formation of the benzylium fragment produced from heterolytic cleavage of the C–N…”
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