Search Results - "Sears, Devin N"

Xe NMR Lineshapes in Channels of Peptide Molecular Crystals by Moudrakovski, Igor, Soldatov, Dmitriy V, Ripmeester, John A, Sears, Devin N, Jameson, Cynthia J

“…To further an understanding of the nature of information available from Xe chemical shifts in cavities in biological systems, it would be advantageous to start…”
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Conformational Analysis of Arabinofuranosides: Prediction of (3)JH,H Using MD Simulations with DFT-Derived Spin-Spin Coupling Profiles by Taha, Hashem A, Castillo, Norberto, Sears, Devin N, Wasylishen, Roderick E, Lowary, Todd L, Roy, Pierre-Nicholas

“…A molecular dynamics (MD) investigation on a series of oligo-α-arabinofuranosides (1-8) using the AMBER force field and the GLYCAM carbohydrate parameter set…”
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Diastereomeric Xe Chemical Shifts in Tethered Cryptophane Cages by Ruiz, E. Janette, Sears, Devin N, Pines, Alexander, Jameson, Cynthia J

“…Cryptophane cages serve as host molecules to a Xe atom. Functionalization of cryptophane-A has permitted the development of Xe as a biosensor. Synthetic routes…”
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Grand Canonical Monte Carlo Simulations of the 129Xe NMR Line Shapes of Xenon Adsorbed in (±)-[Co(en)3]Cl3 by Sears, Devin N, Wasylishen, Roderick E, Ueda, Takahiro

“…The 129Xe NMR line shapes of xenon adsorbed in the nanochannels of the (±)-[Co(en)3]Cl3 ionic crystal have been calculated by grand canonical Monte Carlo…”
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Conformational Analysis of Arabinofuranosides: Prediction of 3 J H,H Using MD Simulations with DFT-Derived Spin−Spin Coupling Profiles by Taha, Hashem A, Castillo, Norberto, Sears, Devin N, Wasylishen, Roderick E, Lowary, Todd L, Roy, Pierre-Nicholas

“…A molecular dynamics (MD) investigation on a series of oligo-α-arabinofuranosides (1−8) using the AMBER force field and the GLYCAM carbohydrate parameter set…”
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The effectiveness of 1H decoupling in the 13C MAS NMR of paramagnetic solids: An experimental case study incorporating copper(II) amino acid complexes by Willans, Mathew J., Sears, Devin N., Wasylishen, Roderick E.

“…The use of continuous-wave (CW) 1H decoupling has generally provided little improvement in the 13C MAS NMR spectroscopy of paramagnetic organic solids. Recent…”
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Formation of Porous Aluminophosphate Frameworks Monitored by Hyperpolarized 129Xe NMR Spectroscopy by Sears, Devin N, Demko, Bryan A, Ooms, Kristopher J, Wasylishen, Roderick E, Huang, Yining

“…The formation of two aluminophosphate frameworks, AlPO4-5 and AlPO4-18, has been monitored using hyperpolarized 129Xe NMR as a probe. The reaction progress…”
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NMR studies of peptide T, an inhibitor of HIV infectivity, in an aqueous environment by De Dios, Angel C., Sears, Devin N., Tycko, Robert

“…The synthetic octapeptide peptide T (ASTTTNYT) has been shown to interfere with binding of the HIV‐1 envelope glycoprotein gp120 to the chemokine receptor R5,…”
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Properties of Selected S-Nitrosothiols Compared to Nitrosylated WR-1065 by Whiteside, William Michael, Sears, Devin N., Young, Paul R., Rubin, David B.

“…Whiteside, W. M., Sears, D. N., Young, P. R. and Rubin, D. B. Properties of Selected S-Nitrosothiols Compared to Nitrosylated WR-1065. Radiat. Res. 157,…”
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Grand Canonical Monte Carlo Simulations of the 129 Xe NMR Line Shapes of Xenon Adsorbed in (±)-[Co(en) 3 ]Cl 3 by Sears, Devin N., Wasylishen, Roderick E., Ueda, Takahiro

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Formation of Porous Aluminophosphate Frameworks Monitored by Hyperpolarized 129 Xe NMR Spectroscopy by Sears, Devin N., Demko, Bryan A., Ooms, Kristopher J., Wasylishen, Roderick E., Huang, Yining

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Calculations of intermolecular xenon-129 chemical shifts by Sears, Devin N

“…The remarkable sensitivity of the Xe nuclear magnetic resonance chemical shift to the local environment which the Xe atom finds itself provides an excellent…”
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