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26 Armentrout, Peter B.C+(2P)+H2(D2,HD)→CH+(CD+)+H(D). I. Reaction cross sections and kinetic isotope effects from threshold to 15eV c.m.Total cross sections for the reactions of carbon (1 + ) ions with isotopic molecular hydrogen (H2, D2, and HD) to form methyliumylidene (CH+ and CD+) have been measured using guided ion beam techniques. Cross sections are reported as a function of the translational energy of the reactants from th...Methyliumylidene; Endothermic reactions; Isotope effect; Threshold energy1986
27 Borodai, Anastasia S.C-F bond activationActivation of Carbon-Fluorine Bonds in 2', 3', 4', 5', 6'-Pentafluoroacetophenone through a Transition Metal Complex- Manganese PentacarbonylCarbon; Fluorine; Bond; Activation2014-05-30
28 Poulter, Charles DaleCaaX proteases, Afc1p and Rce1p, have overlapping but distinct substrate specificitiesMany proteins that contain a carboxyl-terminal CaaX sequence motif, including Ras and yeast a-factor, undergo a series of sequential posttranslational processing steps. Following the initial prenylation of the cysteine, the three C-terminal amino acids are proteolytically removed, and the newly fo...Proteins; Enzymes; Hydrophobic2000
29 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
30 Miller, Joel StevenCharacterization of novel TCNQ and TCNE 1 : 1 and 1 : 2 salts of the tetrakis(dimethyamino) ethylene dication, [{(CH3)2N}2C-C{N(CH3)2}2]2+Addition of TCNQ to a solution of tetrakis(dimethylamino)ethylene in MeCN produces the salt [TDAE][TCNQ]2; the dipositive cation, [{(CH3)2N}2C-C{N(CH3)2}2]2+, is nonplanar, with a dihedral angle of 63.9(o), while the TCNQ anions crystallize as [TCNQ]2 2- dimers with an interplanar separation of 3.1...Electron; Oxidations; Transfer1996
31 Minteer, Shelley D.Characterizing efficiency of multi-Enzyme cascade-based biofuel cells by product analysisThe performance of biofuel cells with enzyme cascades have normally been characterized with open circuit potential, power density, and current density measurements. In this work, we demonstrate that with the method of quantitative product analysis by mass spectrometry, we can obtain other valuable i...2014-01-01
32 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
33 Miller, Joel StevenCluster glass state and photoinduced effects on the freezing dynamics in KxCo[Fe(CN)6]y.ZH2O (x-0.16,y-0.72, z-4.4)The magnetic properties and photoinduced magnetization of a Prussian blue analog, KxCo[Fe(Cn)6]y•ZH2O (x-0.16, y-0.72, z-4.4) were systematically studied. The frequency dependence of the linear ac susceptibility, the irreversibility in the field-cooled/ zero-field-cooled magnetization (MFC /MZFC)...Hexacyanide; Illumination; Temperatures2000
34 Armentrout, Peter B.Cobalt carbene ion: reactions of Co+ with C2H4, cyclo-C3H6 and cyclo-C2H4OAn ion beam apparatus is employed to study the formation of the cobalt carbene ion, CoCH2+. This ion is produced in the endothermic reaction of cobalt ions with ethene and cyclopropane and in an exothermic reaction with ethylene oxide. A model is proposed to account for the dependence of experimenta...Cobalt carbine; Ion beam; Bond dissociation energy; Reaction cross section; Endothermic reactions1981
35 Miller, Joel StevenCollinear ferromagnetism and spin orientation in the molecule-based magnets M[N(CN)2]2 (M=Co,Ni)Zero-field unpolarized neutron powder diffraction has been used to study the low-T magnetic structure and T-dependent crystal structure of M[N(CN)2]2 (M=Co,Ni). Both compounds show collinear ferromagnetism with spin orientation along the c axis. The results provide the determination of a complete ma...Magnetic; Diffraction; Structure1999
36 Armentrout, Peter B.Collision-induced dissociation dynamics of the [OCS • C2H2]+ complex. A combined experimental and theoretical studyCollision-induced dissociation (CID) of the [OCS • C2H2]+ complex ion with both Xe and Ar over an energy range of 0 to 10 eV in the center of mass frame is studied using a guided ion beam tandem mass spectrometer. The cross sections of the ionic products observed (C,H2S+, OCS+, C2HJ, and S+) are ...Collision-induced dissociation; Competitive shift; Ethylene Sulfide cation; Kinetic shift; Thioketene cation; Potential energy surface2000
37 Armentrout, Peter B.Collision-induced dissociation of Fen+ (n=2-10) with Xe: ionic and neutral iron binding energiesCross sections for collision-induced dissociation (CID) of Fen+ with Xe, 2≤n≤10, are presented. Experiments were performed on a newly constructed guided ion beam mass spectrometer, the design and capabilities of which are described in detail. The single mechanism for dissociation of iron cluster...1989
38 Armentrout, Peter B.Collision-induced dissociation processes of Nb4+ and Fe4+: fission vs. evaporationDespite the extensive effort devoted to research on gasphase metal clusters, quantitative thermodynamic data on such species are scarce. Such information is key to understanding and predicting the physical and chemical properties of clusters. Presently, bond energies are available primarily for tr...Metal clusters; Nobium ions; Iron ions; Fission; Evaporation1988
39 Truong, ThanhCombined reaction class approach with integrated molecular orbital + molecular orbital (IMOMO) methodology: a practical tool for kinetic modelingWe present a new practical computational methodology for predicting thermal rate constants of reactions involving large molecules or a large number of elementary reactions in the same class. This methodology combines the integrated molecular orbital1molecular orbital (IMOMO) approach with our rece...IMOMO; Kinetic modeling; Thermal rate constants2000
40 Armentrout, Peter B.Communication: Theoretical exploration of Au++ H2, D2, and HD reactive collisionsA quasi-classical study of the endoergic Au+(¹S) + H₂(X¹Σ+g) → AuH+ (²Σ+) + H(²S) reaction, and isotopic variants, is performed to compare with recent experimental results [F. Li, C. S. Hinton, M. Citir, F. Liu, and P. B. Armentrout, J. Chem. Phys. 134, 024310 (2011)]. For this purpose, a ...2011
41 Miller, Joel Steven; Epstein, Arthur J.Complex ac susceptibility studies of the disordered molecular based magnets V(TCNE)x: role of spinless solventThe effect of different spinless solvents on the magnetism of V(TCNE)x . y(solvent) (TCNE= tetracyanoethylene) is studied by temperature (T) dependent ac susceptibility above 2.3 K. Though V(TCNE)x.y(CH2Cl2) has a critical temperature Tc -400 K, for V(TCNEx.y(C4H8O), Tc -205 K and the coercive field...Magnetization; Spin; Temperature1993
42 Fleming Aaron M.Computational studies of electronic circular dichroism spectra predict absolute configuration assignments for the guanine oxidation product 5-carboxamido-5-formamido-2-iminohydantoinOxidation of the guanine heterocycle by two electrons can yield the chiral product 5-carboxamido-5-formamido-2-iminohydantoin (2Ih). The 2Ih free base enantiomers were synthesized from 2'-deoxyguanosine oxidized with a Cu(II)/H2O2 oxidant system followed by hydrolysis of the N-glycosidic bond. These...Guanine oxidation; 2-Iminohydantoin; Electronic circular dichroism; Time-dependent density functional theory2014-12-15
43 Blumenthal, Donald K.; Trewhella, JillConformationally dynamic C helix of the RIalpha subunit of protein kinase A mediates isoform-specific domain reorganization upon C subunit binding.Different isoforms of the full-length protein kinase A (PKA) regulatory subunit homodimer (R2) and the catalytic (C) subunit-bound holoenzyme (R2C2) have very different global structures despite similar molecular weights and domain organization within their primary sequences. To date, it has been th...Protein Isoforms; Global Structures; cAMP2005-10-21
44 Yang, Seung OokConstruction of a protein-based nanoreactor using charge complementarity2012
45 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
46 Miller, Joel StevenConvenient synthesis of C5(CD3)5H. synthesis and characterisation of Fe{n5-C5(CD3)5}2The large scale synthesis of deuterio(pentamethylcyclopentadiene), C5(CD3)5H ([2H30]Cp*H), and subsequent synthesis of [2H30][Fe(n|-Cp*)2] is described, together with i.r., Raman, and solid state 2H n.m.r. spectroscopic characterisation.Organometallic; Catalytic1988
47 Miller, Joel StevenCrystal engineering or crystal mysticism? A case studyThe de novo design and synthesis of a crystalline motif of a substance is a holy grail for a growing number of organic and inorganic synthetic chemists. Achievement of targeted architectural arrangements is less reliable as the complexity increases. Simple substitution of, for example, alkyl penda...Synthesis, Structure, Chemistry2005
48 Miller, Joel StevenCrystal structure and magnetic properties of [Fe{N(CN)2}2(MeOH)2] a 2-D layered network consisting of hydrogen-bonded 1-D chainsA novel 2-D layered network structure [Fe{N(CN)2}2(MeOH)2] was synthesized and characterized by X-ray crystallography, vibrational, and magnetic susceptibility. The neutral 2-D stair-like framework consists of hydrogen-bonded infinite 1-D {Fe[N(CN)2]2} ribbons that pack in a staggered arrangement wh...Solids; Dicyanamide; Ordering1999
49 Miller, Joel Steven; Epstein, Arthur J.Decamethylchromocenium tetracyanoethenide, + [Cr(C5Me5)2]:.+[TCNE].-: a molecular ferromagnet with Tc=3.65 KThe electron-transfer salt 4[Cr(C5Me5)2] + [TCNE].-(TCNE = tetracyanoethylene) has been prepared and structurally characterized by single-crystal X-ray diffraction. It possesses a solid-state motif of parallel 1D chains of alternating radical cations and anions similar to, but not isostructural to, ...Magnetic; Electron transfer; Coupling1993
50 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
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