UScholar Works
 
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CreatorTitleDescriptionSubjectDate
1 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
2 Poulter, Charles DaleCatalytic mechanism of Escherichia coli isopentenyl diphosphate isomerase involves Cys-67, Glu-116, and Tyr-104 as suggested by crystal structures of complexes with transition state analogues and irreversible inhibitorsIsopentenyl diphosphate (IPP):dimethylallyl diphosphate (DMAPP) isomerase is a key enzyme in the biosynthesis of isoprenoids. The reaction involves protonation and deprotonation of the isoprenoid unit and proceeds through a carbocationic transition state. Analysis of the crystal structures (2 A) of ...Catalytic Domain; Crystallography; Organophosphorus Compounds2003-04-04
3 Morse, Michael DavidResonant two-photon ionization spectroscopy of jet-cooled Pt?The gas phase optical spectrum of jet-cooled Pt? has been investigated over the range of 11 300 to 26 300 cm -1 using resonant two-photon ionization spectroscopy in combination with time-of-flight mass spectrometry. Numerous vibronic bands are observed. Analysis of the data gives the location of som...1988
4 Morse, Michael DavidLaser vaporization generation of the SiB and SiAi radicals for matrix isolation electron spin resonance studies: comparison with theoretical calculations and assignment of their electronic ground states as X ??The first experimental spectroscopic study of the SiB and SiAl diatomic radicals is reported. Electron spin resonance results indicate that both molecules have X 4? ground electronic states, in agreement with earlier theoretical calculations. The SIB and SiAl radicals were generated in neon matrices...1993
5 Miller, Joel StevenCharge transfer complexes of 2,4,6-tricyano-s-triazine with tetrathiafulvalene (TTF) and N,N,N' ,N'-tetramethyl-p-phenylenediamine (TMPD)Reaction of 2,4,6-tricyano-s-triazine (TCT) with tetrathiafulvalene (TTF) and N,N,N',N'-tetramethylp-phenylenediamine (TMPD) leads to 1 : 1 charge transfer complexes. The crystal structures of the TTF[TCT], as well as the decomposition product due to hydrolysis of the [TMPD][TCT], i.e. HTMPD]+[2,4-d...Electron; Solution; Hydrolysis2002
6 Morse, Michael DavidResonant two-photon ionization spectroscopy of NiCA spectroscopic investigation of jet-cooled diatomic NiC has revealed a complex pattern of vibronic levels in the wave number range from 21 700 to 27 000 cm-1. Of the more than 50 vibronic bands observed, 31 have been rotationally resolved and analyzed. All are ?'=0+??"=0+ transitions, consistent wi...2002
7 Minteer, Shelley D.Controlled placement of enzymes on carbon nanotubes using comb-branched DNAImmobilization is not only useful for preserving enzyme activity, but also to adhere an enzyme to a surface, such as an electrode, so that the enzyme does not leach into solution during testing. Current immobilization approaches do not readily allow for adjustments to the distance between the enzyme...2014-01-01
8 Morse, Michael DavidFirst spectroscopic investigation of the 4 d transition metal monocarbide MoCThe first optical spectroscopic investigation of MoC has revealed a complicated vibronic spectrum consisting of about 35 bands between 17 700 and 24 000 cm-1. Analysis has shown the ground state to be the ?=0+ spin?orbit component of a 3?- state that derives from a 10?211?25rr42d 2 configuration. Th...1998
9 Morse, Michael DavidSpectroscopy and electronic structure of jet-cooled NiPd and PdPtResonant two-photon ionization spectroscopy of jet-cooled NiPd and PdPt has revealed a dense vibronic spectrum for NiPd and a much more sparse spectrum for PdPt. Four vibrational progressions have been identified for NiPd, and three have been located for PdPt. High resolution investigations of NiPd...1990
10 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
11 Armentrout, Peter B.Role of methylation on the thermochemistry of alkali metal cation complexes of amino acids: N-methyl prolineQuantitative thermodynamic information is obtained from the study of the gasphase interactions of the alkali metal cation complexes of N-methyl proline (NMP) with Xe using a guided ion beam tandem mass spectrometer (GIBMS). Absolute bond dissociation energies (BDEs) of M+ = Li+, Na+, K+, and Rb+ to ...2012-01-01
12 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
13 Miller, Joel StevenMnII(TCNE)3/2(I3)1/2-A 3D network-structured organic-based magnet and comparison to a 2-D analogOrganic-based magnets utilize unpaired electrons residing on organic species to form magnetically ordered materials. Unlike traditional atom/ion-based magnets, they enable the controllable modulation and combination of magnetic properties with other technologically important properties (e.g., electr...2010
14 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
15 Morse, Michael DavidSpectroscopy and electronic structure of jet-cooled GaAsAn optical spectrum, obtained by resonant two-photon ionization spectroscopy, is reported for jet-cooled diatomic gallium arsenide. The ground state is identified as X??-, deriving from a ??rr? molecular configuration, and is characterized by ?" = 215 cm-1, ?"exe" = 3 cm-1, and r0' = 2.53 ? 0.02 ?. ...1989
16 Miller, Joel StevenIsolation of two salts from the reduction of TCNE with [(n-C3H7)4N]I. A further example of long 2.87 Ã pi-C-C bonding in pi-[TCNE]22-Reduction of tetracyanoethylene, TCNE, with tetrakis(n-propyl)ammonium iodide, [Pr4N]I, results in a new example of long pi*-CC bonded pi-[TCNE]22- dimers with a 2.870(4) A(°) intradimer CC bond, which is structurally and spectroscopically characterized. This reaction also results in isolation of ...Synthesis; Intradimer; Crystals2002
17 Morse, Michael DavidVibronic spectroscopy of unsaturated transition metal complexes: CrC?H, CrCh?, and NiCH?Vibronically resolved resonant two-photon ionization and dispersed fluorescence spectra of the organometallic radicals CrC2H, CrCH3 , and NiCH3 are reported in the visible and near-infrared wavelength regions. For CrC2H, a complicated vibronic spectrum is found in the 11 100?13 300 cm-1 region, with...2004
18 Morse, Michael DavidSpectrosopic studies of jet-cooled NiAu and PtCuSpectroscopic investigations of NiAu and PtCu have revealed that both molecules possess 2?5/2 ground electronic states, and are in this respect analogous to the isovalent molecule NiCu. The ground-state bond lengths (r?) have been measured as 2.351?0.001 ? and 2.335?0.001 ? for NiAu and PtCu, respe...1992
19 Miller, Joel Steven; Epstein, Arthur J.Effect of solvent on the magnetic properties of the high-temperature V[TCNE]x molecule-based magnetThe different magnetic behaviors of the V[TCNE]x (TCNE=tetracyanoethylene) magnet prepared via the reaction of TCNE and V(CO)6 in CH2Cl2 and the solvent-free chemical vapor deposition (CVD) of TCNE and V(CO)6 onto a glass substrate were determined. It was shown that the presence of noncoordinating C...Magnetization; Molecule2001
20 Morse, Michael DavidPredissociation lifetimes of vibrational levels of the excited ? B? (Ka=O) electronic states of Cd ? H? and Cd ? D? complexesThe experimental rates of predissociation of vibrational levels of the ?B? (K'a-O) excited states of the Cd ? HZ and Cd ? D2 complexes are shown to be consistent with both semiclassical and quantum-mechanical pseudodiatomic theoretical treatments of the process. The ?B? pseudodiatomic potential was ...1992
21 Voth, Gregory AlanThe multiscale coarse-graining method. VI. Implementation of three-body coarse-grained potentialsMany methodologies have been proposed to build reliable and computationally fast coarse-grained potentials. Typically, these force fields rely on the assumption that the relevant properties of the system under examination can be reproduced using a pairwise decomposition of the effective coarse-grai...2010
22 Morse, Michael DavidThe ?IIou ?X ???g band system of jet-cooled Ti?A band of jet-cooled ??Ti? has been located in the near infrared by resonant two-photon ionization spectroscopy. Rotational analysis has shown the band to be an ?? =O* ???=1 transition, which is consistent with the 3??g, ground state proposed by Bauschlicher ef al. [J. Chem. Phys. 95, 1057 ( 1991)]...1992
23 Morse, Michael DavidRotationally resolved spectra of Pt?High-resolution laser-induced fluorescence spectroscopy has been used to investigate the 18 163 cm21 band of Pt2 in a supersonically cooled molecular beam. Rotational constants of the ground and excited states were extracted from the rotationally resolved spectrum and determined to be B0'=0.031 754(...2002
24 Miller, Joel Steven; Epstein, Arthur J.Evidence for solitons in conducting organic charge-transfer crystalsMagnetic susceptibility of (N-methylphenazinium)x(phenazine)(1-x (tetracyanoquinodimethanide) [(NMP)x(Phen)1-x(TCNQ)] shows the formation of defect states for 0.5<x<0.54. Diffuse x-ray scattering and g-value studies indicate that these defects are solitons formed in the highly correlated quasi-one-...TCNQ; X-ray scattering1982
25 Morse, Michael DavidThe bond energy of Rh?In a spectroscopic investigation of jet-cooled Rh2 by the resonant two-photon ionization method, an abrupt predissociation threshold is observed in a dense set of vibronic levels at 19 405?4 cm-1. Based on the high density of states expected in the rhodium dimer, the sharp definition of the prediss...1997
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