Search Results - "Shuford, Kevin L"

Molecular dynamics simulations of the secondary-binding site in disaccharide-modified glycopeptide antibiotics by Olademehin, Olatunde P., Shuford, Kevin L., Kim, Sung J.

“…Oritavancin is a semisynthetic glycopeptide antibiotic used to treat severe infections by multidrug-resistant Gram-positive pathogens. Oritavancin is known to…”
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High-Yield Synthesis of Single-Crystalline Gold Nano-octahedra by Li, Cuncheng, Shuford, Kevin L., Park, Q.-Han, Cai, Weiping, Li, Yue, Lee, Eun Je, Cho, Sung Oh

“…Pieces of eight: Single‐crystalline Au nano‐octahedra with well‐defined shape and tunable size can be synthesized by a modified polyol process. The octahedral…”
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Observation of a Quadrupole Plasmon Mode for a Colloidal Solution of Gold Nanoprisms by Millstone, Jill E, Park, Sungho, Shuford, Kevin L, Qin, Lidong, Schatz, George C, Mirkin, Chad A

“…The synthesis and optical properties of single crystalline gold nanoprisms have been investigated. A three-step mediated seed growth process in an aqueous…”
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Multipolar excitation in triangular nanoprisms by Shuford, Kevin L, Ratner, Mark A, Schatz, George C

“…Theoretical studies on the optical properties of gold triangular prisms in solution are presented to determine how structural modifications affect the…”
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Understanding controls on interfacial wetting at epitaxial graphene: Experiment and theory by Zhou, Hua, Ganesh, P., Presser, Volker, Wander, Matthew C. F., Fenter, Paul, Kent, Paul R. C., Jiang, De-en, Chialvo, Ariel A., McDonough, John, Shuford, Kevin L., Gogotsi, Yury

“…The interaction of interfacial water with graphitic carbon at the atomic scale is studied as a function of the hydrophobicity of epitaxial graphene. High…”
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Optical Property of a Colloidal Solution of Platinum and Palladium Nanorods: Localized Surface Plasmon Resonance by Jung, Sujin, Shuford, Kevin L, Park, Sungho

“…The optical properties of Pt and Pd nanorods as a function of aspect ratio were investigated and systematically compared with Au nanorods of similar physical…”
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Molecular Dynamics Simulation of Atomic Interactions in the Vancomycin Binding Site by Olademehin, Olatunde P, Kim, Sung Joon, Shuford, Kevin L

“…Vancomycin is a glycopeptide antibiotic produced by used to treat serious infections by Gram-positive pathogens including methicillin-resistant . Vancomycin…”
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Shape Transformation of Gold Nanoplates and their Surface Plasmon Characterization: Triangular to Hexagonal Nanoplates by Hong, Soonchang, Shuford, Kevin L, Park, Sungho

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Electrolyte Effects in a Model System for Mesoporous Carbon Electrodes by Wander, Matthew C. F, Shuford, Kevin L

“…In this paper, a variety of alkali halide aqueous electrolyte solutions in contact with planar graphite slit pores are simulated using classical molecular…”
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Data and Molecular Fingerprint-Driven Machine Learning Approaches to Halogen Bonding by Devore, Daniel P., Shuford, Kevin L.

“…The ability to predict the strength of halogen bonds and properties of halogen bond (XB) donors has significant utility for medicinal chemistry and materials…”
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Elucidating the Role of Electron-Donating Groups in Halogen Bonding by Devore, Daniel P., Ellington, Thomas L., Shuford, Kevin L.

“…Computational quantum chemical techniques were utilized to systematically examine how electron-donating groups affect the electronic and spectroscopic…”
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A Facile Polyol Route to Uniform Gold Octahedra with Tailorable Size and Their Optical Properties by Li, Cuncheng, Shuford, Kevin L, Chen, Minghai, Lee, Eun Je, Cho, Sung Oh

“…A straightforward and effective polyol route for the controllable synthesis of high-quality gold (Au) octahedra with uniform size is presented in an ethylene…”
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Interrogating the Interplay between Hydrogen and Halogen Bonding in Graphitic Carbon Nitride Building Blocks by Devore, Daniel P, Ellington, Thomas L, Shuford, Kevin L

“…Two graphitic carbon nitride (g-C3N4) molecular building blocks designed for halogen bond driven assembly are evaluated through computational quantum…”
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Electronic Properties of Halogen-Adsorbed Graphene by Xu, Chengyong, Brown, Paul A, Lu, Jing, Shuford, Kevin L

“…We have investigated the electronic properties of 1-, 2-, and 3-layer graphene upon surface adsorption of halogen molecules by means of density functional…”
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Toward Quantum Confinement in Graphitic Carbon Nitride-Based Polymeric Monolayers by Olademehin, Olatunde P, Ellington, Thomas L, Shuford, Kevin L

“…Graphitic carbon nitride (g-C3N4) has garnered much attention due to its potential as an efficient metal-free photocatalyst. This study examines the evolution…”
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Illuminating the Performance of Electron Withdrawing Groups in Halogen Bonding by Devore, Daniel, Ellington, Thomas, Shuford, Kevin

“…Throughout the halogen bonding literature, electron withdrawing groups are relied upon heavily for tuning the in- teraction strength between the halogen bond…”
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Octahedral and Cubic Gold Nanoframes with Platinum Framework by Ham, Songyi, Jang, Hee-Jeong, Song, Yookyung, Shuford, Kevin L., Park, Sungho

“…Herein, we report a general synthetic pathway to various shapes of three‐dimensional (3D) gold nanoframes (NFs) embedded with a Pt skeleton for structural…”
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1,2-Phosphaborines: Hybrid Inorganic/Organic P-B Analogues of Benzene by Barnard, Jonathan H., Brown, Paul A., Shuford, Kevin L., Martin, Caleb D.

“…Photolysis of the cyclic phosphine oligomer [PPh]5 in the presence of pentaarylboroles leads to the formation of 1,2‐phosphaborines by the formal insertion of…”
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Fabrication of 2D Au Nanorings with Pt Framework by Jang, Hee-Jeong, Ham, Songyi, Acapulco, Jesus A. I, Song, Yookyung, Hong, Soonchang, Shuford, Kevin L, Park, Sungho

“…Surface plasmonics of nanomaterials has been one of the main research themes in nanoscience. Spherical and elongated nanoparticles show their corresponding…”
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Molecular Dynamics Simulations of Ion Transport in Carbon Nanotube Channels by Samoylova, Olga N, Calixte, Emvia I, Shuford, Kevin L

“…We present a computational modeling study examining ion transport dynamics of aqueous electrolytes under severely confined conditions. Ionic current and…”
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