All Department Publications

Found 61 results
Author Title Type [ Year(Asc)]
Filters: First Letter Of Title is Q  [Clear All Filters]
2012
Henry SB, Kammrath A, Keutsch FN. Quantification of gas-phase glyoxal and methylglyoxal via the Laser-Induced Phosphorescence of (methyl)GLyOxal Spectrometry (LIPGLOS) Method. Atmospheric Measurement Techniques. 2012;5:181-192.
Grechko M, Zanni MT. Quantification of transition dipole strengths using 1D and 2D spectroscopy for the identification of molecular structures via exciton delocalization: Application to alpha-helices. The Journal of Chemical Physics [Internet]. 2012;137:184202. Available from: http://link.aip.org/link/?JCP/137/184202/1
Miller MJ, Scalf M, Rytz TC, Hubler SL, Smith LM, Vierstra RD. Quantitative proteomics reveal factors regulating RNA biology as dynamics targets of stress-induced sumoylation in Arabidopsis. Mol Cell Proteomics. 2012.
Siddiqui S, Dai ZT, Stavis CJ, Zeng HJ, Moldovan N, Hamers RJ, Carlisle JA, Arumugam PU. A quantitative study of detection mechanism of a label-free impedance biosensor using ultrananocrystalline diamond microelectrode array. Biosensors & Bioelectronics. 2012;35:284-290.
Mortenson DE, Satyshur KA, Guzei IA, Forest KT, Gellman SH. Quasiracemic Crystallization as a Tool To Assess the Accommodation of Noncanonical Residues in Nativelike Protein Conformations. Journal of the American Chemical Society. 2012;134:2473-2476.
Mangold SL, Prost LR, Kiessling LL. Quinoxalinone inhibitors of the lectin DC-SIGN. Chemical Science. 2012;3:772-777.
2011
Henry SB, Kammrath A, Keutsch FN. Quantification of gas-phase glyoxal and methylglyoxal via the Laser-Induced Phosphorescence of (methyl)GLyOxal Spectrometry (LIPGLOS) method. Atmospheric Measurement Techniques Discussions. 2011;4:6159–6183.
Guinn EJ, Pegram LM, Capp MW, Pollock MN, Record MT. Quantifying why urea is a protein denaturant, whereas glycine betaine is a protein stabilizer. Proc Natl Acad Sci U S A. 2011;108(41):16932-7.
Pellitteri-Hahn MC, Halligan BD, Scalf M, Smith LM, Hickey WJ. Quantitative proteomic analysis of the chemolithoautotrophic bacterium Nitrosomonas europaea: comparison of growing- and energy-starved cells. J Proteomics. 2011;74(4):411-9.
Wei X, Herbst A, Ma D, Aiken J, Li L. A Quantitative Proteomic Approach to Prion Disease Biomarker Research: Delving into the Glycoproteome. Journal of Proteome Research. 2011;10:2687-2702.
Klein K, Garand E, Ichino T, Neumark DM, Gauss J, Stanton JF. Quantitative vibronic coupling calculations: the formyloxyl radical. Theoretical Chemistry Accounts. 2011;129:527-543.
Choudhary A, Pua KH, Raines RT. Quantum mechanical origin of the conformational preferences of 4-thiaproline and its S-oxides. Amino Acids. 2011;41:181-186.
Palmer AG, Streng E, Jewell KA, Blackwell HE. Quorum Sensing in Bacterial Species that Use Degenerate Autoinducers Can Be Tuned by Using Structurally Identical Non-native Ligands. Chembiochem. 2011;12:138-147.
2010
Herbst A, Wei X, Ma D, Li L, Aiken J. Quantitative Proteomic Analysis of Prion Infected Mouse Plasma. Prion. 2010;4:218-218.
2009
Pegram LM, Record MT. Quantifying the roles of water and solutes (denaturants, osmolytes, and Hofmeister salts) in protein and model processes using the solute partitioning model. Methods Mol Biol. 2009;490:179-93.
Casey CP, Boller TM, Samec JSM, Reinert-Nash JR. Quantitative Determination of the Regioselectivity of Nucleophilic Addition to eta(3)-Propargyl Rhenium Complexes and Direct Observation of an Equilibrium between eta(3)-Propargyl Rhenium Complexes and Rhenacyclobutenes. Organometallics. 2009;28:123-131.
King-Heiden TC, Wiecinski PN, Mangham AN, Metz KM, Nesbit D, Pedersen JA, Hamers RJ, Heideman W, Peterson RE. Quantum Dot Nanotoxicity Assessment Using the Zebrafish Embryo. Environmental Science & Technology [Internet]. 2009;43:1605-1611. Available from: <Go to ISI>://000263758600062
2008
Pegram LM, Record MT. Quantifying accumulation or exclusion of H+, HO-, and Hofmeister salt ions near interfaces. Chemical Physics Letters. 2008;467:1-8.
Solomon GC, Andrews DQ, Goldsmith RH, Hansen T, Wasielewski MR, Van Duyne RP, Ratner MA. Quantum Interference in Acyclic Systems: Conductance of Cross-Conjugated Molecules. Journal of the American Chemical Society. 2008;130:17301-17308.
Andrews DQ, Solomon GC, Goldsmith RH, Hansen T, Wasielewski MR, Van Duyne RP, Ratner MA. Quantum Interference: The Structural Dependence of Electron Transmission through Model Systems and Cross-Conjugated Molecules. Journal of Physical Chemistry C. 2008;112:16991-16998.
Sibert EL, Vergini E, Benito RM, Borondo F. Quantum localization through interference on homoclinic and heteroclinic circuits. New Journal of Physics [Internet]. 2008;10. Available from: <Go to ISI>://WOS:000255794300004
Borlee BR, Geske GD, Robinson CJ, Blackwell HE, Handelsman J. Quorum-sensing signals in the microbial community of the cabbage white butterfly larval midgut. ISME Journal. 2008;2:1101-1111.
2007
Li H, Valouev A, Schwartz DC, Waterman MS, Li LM. A quantile method for sizing optical maps. J Comput Biol. 2007;14(3):255-66.
2006
Nie B, Shortreed MR, Smith LM. Quantitative detection of individual cleaved DNA molecules on surfaces using gold nanoparticles and scanning electron microscope imaging. Anal Chem. 2006;78(5):1528-34.
Nie B, Shortreed MR, Smith LM. Quantitative detection of individual cleaved DNA molecules on surfaces using gold nanoparticles and scanning electron microscope imaging. Analytical ChemistryAnalytical Chemistry. 2006;78:1528-1534.
2005
Frazer BH, Xu HF, Waychunas GA, De Stasio G. Quantitative mapping of the ferrous to ferric ratio on a sub-micron scale using synchrotron spectromicroscopy. Geochimica et Cosmochimica Acta. 2005;69:A598-A598.
Lawrence CP, Skinner JL. Quantum corrections in vibrational and electronic condensed phase spectroscopy: Line shapes and echoes. Proceedings of the National Academy of Sciences of the United States of America. 2005;102:6720-6725.
2004
Xu D, Wei Y, Wu J, Dunaway-Mariano D, Guo H, Cui Q, Gao J. QM/MM studies of the enzyme-catalyzed dechlorination of 4-chlorobenzoyl-CoA provide insight into reaction energetics. J Am Chem Soc. 2004;126(42):13649-58.
Xu DG, Guo H, Gao JL, Cui Q. A QM/MM study of a nucleophilic aromatic substitution reaction catalyzed by 4-chlorobenzoyl-CoA dehalogenase. Chemical CommunicationsChemical Communications. 2004:892-893.
2003
Wright JC, Condon NJ, Murdoch KM, Besemann DM, Meyer KA. Quantitative Modeling of Nonlinear Processes in Coherent Two-Dimensional Vibrational Spectroscopy†. The Journal of Physical Chemistry A. 2003;107:8166-8176.
2002
Westler WM, Weinhold F, Markley JL. Quantum chemical calculations on structural models of the catalytic site of chymotrypsin: comparison of calculated results with experimental data from NMR spectroscopy. J Am Chem Soc. 2002;124(48):14373-81.
Ludwig R, Weinhold F. Quantum Cluster Equilibrium Theory of Liquids: Isotopically Substituted QCE/3-21G Model Water. Z. Phys. Chem. 2002;(216):659-674.
Landis CR, Uddin J. Quantum mechanical modelling of alkene hydroformylation as catalyzed by xantphos-Rh complexes. J. Chem. Soc.{,} Dalton Trans. [Internet]. 2002:729-742. Available from: http://dx.doi.org/10.1039/B108649A
Landis CR, Uddin J. Quantum mechanical modelling of alkene hydroformylation as catalyzed by xantphos-Rh complexes. Journal of the Chemical Society-Dalton TransactionsJournal of the Chemical Society-Dalton Transactions. 2002:729-742.
Cui Q, Karplus M. Quantum mechanical/molecular mechanical studies of the triosephosphate isomerase-catalyzed reaction: verification of methodology and analysis of reaction mechanisms. J. Phys. Chem. B. 2002;106:1768–1798.
Cui Q, Karplus M. Quantum mechanical/molecular mechanical studies of the triosephosphate isomerase-catalyzed reaction: Verification of methodology and analysis of reaction mechanisms. Journal of Physical Chemistry BJournal of Physical Chemistry B. 2002;106:1768-1798.
Cui Q, Karplus M. Quantum mechanics/molecular mechanics studies of triosephosphate isomerase-catalyzed reactions: Effect of geometry and tunneling on proton-transfer rate constants. Journal of the American Chemical Society. 2002;124:3093-3124.
Cui Q, Karplus M. Quantum mechanics/molecular mechanics studies of triosephosphate isomerase-catalyzed reactions: effect of geometry and tunneling on proton-transfer rate constants. J Am Chem Soc. 2002;124:3093-124.
2001
Cui Q, Elstner M, Kaxiras E, Frauenheim T, Karplus M. A QM/MM implementation of the self-consistent charge density functional tight binding (SCC-DFTB) method. Journal of Physical Chemistry B. 2001;105:569-585.
Park C, Raines RT. Quantitative analysis of the effect of salt concentration on enzymatic catalysis. Journal of the American Chemical SocietyJournal of the American Chemical Society. 2001;123:11472-11479.
2000
Ludwig R, Weinhold F. Quantum cluster equilibrium theory of liquids: light and heavy QCE/3-21G model water. Phys. Chem. Chem. Phys. 2000;2:1613-1619.
1999
Ni HH, Anderson CF, Record MT. Quantifying the thermodynamic consequences of cation (M2+, M+) accumulation and anion (X-) exclusion in mixed salt solutions of polyanionic DNA using Monte Carlo and Poisson-Boltzmann calculations of ion-polyion preferential interaction coefficients. Journal of Physical Chemistry B. 1999;103:3489-3504.
Ludwig R, Weinhold F. Quantum cluster equilibrium theory of liquids: Freezing of QCE/3-21G water to tetrakaidecahedral ``Bucky-ice''. The Journal of Chemical Physics. 1999;110:508-515.
Ludwig R, Weinhold F, Farrar TC. Quantum cluster equilibrium theory of liquids: molecular clusters and thermodynamics of liquid ethanol. Molecular Physics. 1999;97:465-477.
Ludwig R, Weinhold F, Farrar TC. Quantum cluster equilibrium theory of liquids: temperature dependent chemical shifts, quadrupole coupling constants and vibrational frequencies in liquid ethanol. Molecular Physics. 1999;97:479-486.
1998
Tsodikov OV, Craig ML, Saecker RM, Record MT. Quantitative analysis of multiple-hit footprinting studies to characterize DNA conformational changes in protein-DNA complexes: Application to DNA opening by E sigma(70) RNA polymerase. Journal of Molecular Biology. 1998;283:757-769.
Weinhold F. Quantum cluster equilibrium theory of liquids: General theory and computer implementation. The Journal of Chemical Physics. 1998;109:367-372.
Ludwig R, Weinhold F, Farrar TC. Quantum cluster equilibrium theory of liquids part I: Molecular clusters and thermodynamics of liquid ammonia. Berichte Der Bunsen-Gesellschaft-Physical Chemistry Chemical Physics. 1998;102:197-204.
Ludwig R, Weinhold F, Farrar TC. Quantum cluster equilibrium theory of liquids part II: Temperature dependent chemical shifts, quadrupole coupling constants and vibrational frequencies in liquid ammonia. Berichte Der Bunsen-Gesellschaft-Physical Chemistry Chemical Physics. 1998;102:205-212.
Ludwig R, Reis O, Winter R, Weinhold F, Farrar TC. Quantum cluster equilibrium theory of liquids: Temperature dependence of hydrogen bonding in liquid N-methylacetamide studied by IR spectra. Journal of Physical Chemistry B. 1998;102:9312-9318.

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