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1 Armentrout, Peter B.Fragmentation reactions of thiourea- and urea-compounds examined by tandem MS-, energy-resolved CID experiments, and theoryFragmentation reactions of thiourea- and urea-compounds, which are promising reagents for chemical crosslinking (XL), are investigated in detail by collision-induced dissociation (CID) experiments in a quadrupole ion trap (QIT), energy-resolved CID experiments, and computational modeling. For this s...2012-01-01
2 Armentrout, Peter B.Guided ion beam and theoretical studies of sequential bond energies of water to sodium cysteine cationAbsolute bond dissociation energies of water to sodium cysteine (Cys) cations and cysteine to hydrated sodium cations are determined experimentally by collision-induced dissociation of Na+Cys(H2O)x, where x = 1 - 4, complexes with xenon in a guided ion beam mass spectrometer. Experimental results sh...2010-01-01
3 Armentrout, Peter B.Guided ion beam and theoretical study of the reactions of Hf+ with H2, D2, and HDThe kinetic energy dependences of reactions of the third-row transition metal cation Hf+ with H2, D2, and HD were determined using a guided ion beam tandem mass spectrometer. A flow tube ion source produces Hf+ in its 2D (6s25d1) electronic ground state level. Corresponding state-specific reaction c...2010-01-01
4 Armentrout, Peter B.Infrared multiple photon dissociation spectroscopy of protonated histidine and 4-phenyl imidazoleThe gas-phase structures of protonated histidine (His) and the side-chain model, protonated 4-phenyl imidazole (PhIm), are examined by infrared multiple photon dissociation (IRMPD) action spectroscopy utilizing light generated by the free electron laser FELIX. To identify the structures present in t...2012-01-01
5 Minteer, Shelley D.In recognition of Adam Heller and his enduring contributions to electrochemistryRecent progress in diverse scientific fields ranging from bioelectrochemistry to battery technology to photoconversion has been deeply influenced by the contributions of Professor Adam Heller of the University of Texas at Austin to electrochemistry and materials science. This focus issue recognizes ...2014-01-01
6 Minteer, Shelley D.Improved performance of a thylakoid bio-solar cell by incorporation of carbon quantum dotsCarbon quantum dots (CQDs) were incorporated into thylakoid bioanodes capable of direct photobioelectrocatalysis in order to increase the photocurrent generation. More thylakoids are in contact with the increased surface area which allows for greater direct electron transfer (DET). Additionally, the...2014-01-01
7 Minteer, Shelley D.Nickel cysteine complexes as anodic electrocatalysts for fuel cellsCompared to platinum, nickel is an inexpensive catalyst that can oxidize methanol in alkaline media. There is a desire to increase nickel loading during electrodeposition for improved performance. In this paper, a nickel cysteine complex (NiCys) is used as the precursor for electrodeposition on glas...2014-01-01
8 Minteer, Shelley D.Nickel-DNA complexes: bioelectrocatalysis or not?Alkaline fuel cells (AFC) are low temperature, quick-to-start devices that can achieve 50% operating efficiency. Low cost alternatives to platinum group electrocatalysts, which allow for direct reformation are desired. Nickel electrocatalysts are highly active in alkaline for the oxidation of fuels....2013-01-01
9 Minteer, Shelley D.Photobioelectrochemistry: Solar energy conversion and biofuel production with photosynthetic catalystsPhotobioelectrochemical cells are devices which have been developed over the past few decades and use photosynthetic catalysts for solar energy conversion or biofuel production. In this paper, a critical review of reported photobioelectrochemical systems is presented. The systems discussed include s...2014-01-01
10 Armentrout, Peter B.The simplest b2+ ion: determining its structure from its energetics by a direct comparison of the threshold collision-induced dissociation of protonated oxazolone and diketopiperazineEnergy-resolved collision-induced dissociation of b2 + ions derived from protonated GGG and GAG are compared with that of protonated diketopiperazine (H+DKP). Absolute dissociation cross sections are obtained using a guided ion beam tandem mass spectrometer and analyzed using statistical methods. Th...2012-01-01
11 Minteer, Shelley D.Utilizing DNA for electrocatalysis: DNA-Nickel aggregates as anodic electrocatalysts for methanol, ethanol, glycerol, and glucoseDNA-nickel aggregates were electrodeposited onto glassy carbon electrode surfaces and have shown electrocatalytic activity for oxidation of methanol, ethanol, glycerol, and glucose at room temperature in alkaline solutions. Bulk electrolysis oxidation products identified by 13C NMR include carbonate...2013-01-01
12 Voth, Gregory AlanNanostructural organization in acetonitrile/ionic liquid mixtures: molecular dynamics simulations and optical Kerr effect spectroscopyIn this paper, the nanostructural organization and subpicosecond intermolecular dynamics in mixtures of acetonitrile and the ionic liquid (IL) 1-pentyl-3-methylimidazolium bis{(trifluoromethane)sulfonyl}amide ([C5mim][NTf2]) were studied as a function of concentration using molecular dynamics (MD) s...2012-01-01
13 Poulter, Charles DalePredicting the functions and specificity of triterpenoid synthases: a mechanism-based multi-intermediate docking approachTerpenoid synthases construct the carbon skeletons of tens of thousands of natural products. To predict functions and specificity of triterpenoid synthases, a mechanism-based, multi-intermediate docking approach is proposed. In addition to enzyme function prediction, other potential applications of ...2014-01-01
14 Armentrout, Peter B.Thermodynamics and mechanisms of protonated diglycine decomposition: a computational studyWe present a full computational description of the fragmentation reactions of protonated diglycine (H+GG). Relaxed potential energy surface scans performed at B3LYP/6-31G(d) or B3LYP/6-311+G(d,p) levels are used to map the reaction coordinate surfaces and identify the transition states (TSs) and int...2012-01-01
15 Armentrout, Peter B.Thermodynamics and mechanism of protonated cysteine decomposition: a guided ion beam and computational studyA quantitative molecular description of the decomposition of protonated cysteine, H+Cys, is provided by studying the kinetic energy dependence of threshold collision-induced dissociation (CID) with Xe using a guided ion beam tandem mass spectrometer (GIBMS). Primary dissociation channels are deamida...2014-01-01
16 Armentrout, Peter B.Thermodynamics and mechanisms of protonated diglycine decomposition: a guided ion beam studyWe present a full molecular description of fragmentation reactions of protonated diglycine (H+GG) by studying their collision-induced dissociation (CID) with Xe using a guided ion beam tandem mass spectrometer (GIBMS). Analysis of the kinetic energy-dependent CID cross sections provides the 0 K barr...2012-01-01
17 Poulter, Charles DaleTetartohedral twinning in IDI-2 from Thermus thermophilus: crystallization under anaerobic conditionsType-2 isopentenyl diphosphate isomerase (IDI-2) is a key flavoprotein involved in the biosynthesis of isoprenoids. Since fully reduced flavin mononucleotide (FMNH2) is needed for activity, it was decided to crystallize the enzyme under anaerobic conditions in order to understand how this reduced co...2014-01-01
18 Minteer, Shelley D.High performance glucose/O2 biofuel cell: effect of utilizing purified laccase with anthracene-modified multi-walled carbon nanotubesLaccase, a blue multicopper oxidoreductase enzyme, is a robust enzyme that catalyzes the reduction of oxygen to water and has been shown previously to perform improved direct electron transfer in a biocathode when mixed with anthracene-modified multi-walled carbon nanotubes. Previous cathode constru...2012-01-01
19 Minteer, Shelley D.Investigating the reversible inhibition model of laccase by hydrogen peroxide for bioelectrocatalytic applicationsThe reversible inhibition of laccase by H2O2 as a bioelectrocatalyst was studied in mediated- and direct electron transfer-based configurations to understand the differences in mechanism. The reversible inhibition of laccase follows a noncompetitive inhibition model when 2,2-azino-bis(3-ethylbenzoth...2014-01-01
20 Armentrout, Peter B.Fifty years of ion and neutral thermochemistry by mass spectrometryOriginating with the appearance potentials for "positive rays", the ability of mass spectrometry to obtain quantitative information about the energetics of both ions and neutrals has evolved dramatically. About 50 years ago, many of the techniques that are now common place were first implemented, th...2014-01-01
21 Miller, Joel StevenDecamethylnickelocenium hydrogen-7,7,8,8-tetracyanoperfluoro-p-quinodimethandiide: isolation of the protonated weak base [HTCNQF4]-Unprecedently stable hydrogen-7,7,8,8- tetracyanoperfluoro-p-quinodimethandiide, [HTCNQF4]-, is isolated and crystallographically characterized.Structure; Electron; Transfer1996
22 Morse, Michael DavidThe ground state and excited ?-hole states of CuAuResonant two-photon ionization spectroscopy has been applied to jet-cooled diatomic CuAu. Eight band systems have been observed, rotationally resolved, and analyzed. The ground state is X??+ in symmetry, deriving from the 3d??Cu 5d??Au, ?? molecular configuration. Its bond length has been determined...1991
23 Miller, Joel StevenZero field splitting, field-dependent magnetization of mixed-valent S = 3/2 Diruthenium(II,III) tetracarboxylatesThe 2 K field-dependent magnetization, M(H), of S = 3/2 [RunII/III2(OAc)4]+ was studied. [RuII/III 2(OAc)4]+ exhibits an unusually low magnetization with respect to that predicted by the classical Brillouin function. This reduced value is a consequence of the large anisotropy arising from the large ...Spin; Coupling; Expressions2004
24 Stang, Peter J.Supramolecular chemistry and molecular design: self-assembly of molecular squaresModem supramolecular chemistry has been described as organized polymolecular systems held together by noncovalent interactions and represents one of the major frontiers in the chemical sciences.'-' At present the field is dominated by the hydrogen bonding motif that mimics biological systems and th...Molecular design; Molecular squares1997
25 Miller, Joel StevenPhotoelectron spectra of transition-metal carbonyl complexes: comparison with the spectra of adsorbed COThe uv and x-ray photoelectron spectra of carbon monoxide and transition-metal (TM) carbonyl complexes have been studied. The systematic changes in these spectra were recorded as the number of metal atoms in the complexes was increased and as the bonding configuration of the CO changed. The observat...TM carbonyl complexes; electron binding energies; metal atoms1978
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