Search Results - "Qiao, Baofu"

Random heteropolymers preserve protein function in foreign environments by Panganiban, Brian, Qiao, Baofu, Jiang, Tao, DelRe, Christopher, Obadia, Mona M, Nguyen, Trung Dac, Smith, Anton A A, Hall, Aaron, Sit, Izaac, Crosby, Marquise G, Dennis, Patrick B, Drockenmuller, Eric, Olvera de la Cruz, Monica, Xu, Ting

“…The successful incorporation of active proteins into synthetic polymers could lead to a new class of materials with functions found only in living systems…”
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Comparative CHARMM and AMOEBA Simulations of Lanthanide Hydration Energetics and Experimental Aqueous-Solution Structures by Qiao, Baofu, Skanthakumar, S, Soderholm, L

“…The accurate understanding of metal ion hydration in solutions is a prerequisite for predicting stability, reactivity, and solubility. Herein, additive CHARMM…”
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Ion association with tetra-n-alkylammonium cations stabilizes higher-oxidation-state neptunium dioxocations by Estes, Shanna L., Qiao, Baofu, Jin, Geng Bang

“…Extended-coordination sphere interactions between dissolved metals and other ions, including electrolyte cations, are not known to perturb the electrochemical…”
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Ion Transport Mechanisms in Liquid–Liquid Interface by Qiao, Baofu, Muntean, John V, Olvera de la Cruz, Monica, Ellis, Ross J

“…Interfacial liquid–liquid ion transport is of crucial importance to biotechnology and industrial separation processes including nuclear elements and rare…”
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Homopolymer self-assembly of poly(propylene sulfone) hydrogels via dynamic noncovalent sulfone–sulfone bonding by Du, Fanfan, Qiao, Baofu, Nguyen, Trung Dac, Vincent, Michael P., Bobbala, Sharan, Yi, Sijia, Lescott, Chamille, Dravid, Vinayak P., Olvera de la Cruz, Monica, Scott, Evan Alexander

“…Natural biomolecules such as peptides and DNA can dynamically self-organize into diverse hierarchical structures. Mimicry of this homopolymer self-assembly…”
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Water Dynamics from the Surface to the Interior of a Supramolecular Nanostructure by Ortony, Julia H, Qiao, Baofu, Newcomb, Christina J, Keller, Timothy J, Palmer, Liam C, Deiss-Yehiely, Elad, Olvera de la Cruz, Monica, Han, Songi, Stupp, Samuel I

“…Water within and surrounding the structure of a biological system adopts context-specific dynamics that mediate virtually all of the events involved in the…”
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How Hydrogen Bonds Affect the Growth of Reverse Micelles around Coordinating Metal Ions by Qiao, Baofu, Demars, Thomas, Olvera de la Cruz, Monica, Ellis, Ross J

“…Extensive research on hydrogen bonds (H-bonds) have illustrated their critical role in various biological, chemical and physical processes. Given that existing…”
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Driving Force for Water Permeation Across Lipid Membranes by Qiao, Baofu, Olvera de la Cruz, Monica

“…The permeation of water across lipid membranes is of paramount importance in biological and technological processes. The driving force for such energetically…”
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The Lanthanide Contraction beyond Coordination Chemistry by Ferru, Geoffroy, Reinhart, Benjamin, Bera, Mrinal K., Olvera de la Cruz, Monica, Qiao, Baofu, Ellis, Ross J.

“…The lanthanide contraction is conceptualized traditionally through coordination chemistry. Here we break this mold in a structural study of lanthanide ions…”
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PDADMAC/PSS Oligoelectrolyte Multilayers: Internal Structure and Hydration Properties at Early Growth Stages from Atomistic Simulations by Sánchez, Pedro A, Vögele, Martin, Smiatek, Jens, Qiao, Baofu, Sega, Marcello, Holm, Christian

“…We analyze the internal structure and hydration properties of poly(diallyl dimethyl ammonium chloride)/poly(styrene sulfonate sodium salt) oligoelectrolyte…”
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Structure of 1-Butylpyridinium Tetrafluoroborate Ionic Liquid: Quantum Chemistry and Molecular Dynamic Simulation Studies by Sun, Hui, Qiao, Baofu, Zhang, Dongju, Liu, Chengbu

“…Density functional theory (DFT) calculations combined with molecular dynamic (MD) simulations have been performed to show in detail the structure…”
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Effect of Anions on Static Orientational Correlations, Hydrogen Bonds, and Dynamics in Ionic Liquids:  A Simulational Study by Qiao, Baofu, Krekeler, Christian, Berger, Robert, Delle Site, Luigi, Holm, Christian

“…Three different ionic liquids are investigated via atomistic molecular dynamics simulations using the force field of Lopes and Pádua (J. Phys. Chem. B 2006,…”
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Tips and Tricks in the Modeling of Supramolecular Peptide Assemblies by Piskorz, Tomasz K., Perez-Chirinos, Laura, Qiao, Baofu, Sasselli, Ivan R.

“…Supramolecular peptide assemblies (SPAs) hold promise as materials for nanotechnology and biomedicine. Although their investigation often entails adapting…”
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Aggregation of Heteropolyanions in Aqueous Solutions Exhibiting Short-Range Attractions and Long-Range Repulsions by Bera, Mrinal K, Qiao, Baofu, Seifert, Soenke, Burton-Pye, Benjamin P, Olvera de la Cruz, Monica, Antonio, Mark R

“…Charged colloids and proteins in aqueous solutions interact via short-range attractions and long-range repulsions (SALR) and exhibit complex structural phases…”
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Poly(styrenesulfonate)−Poly(diallyldimethylammonium) Mixtures: Toward the Understanding of Polyelectrolyte Complexes and Multilayers via Atomistic Simulations by Qiao, Baofu, Cerdà, Juan J, Holm, Christian

“…Explicit solvent all-atom molecular dynamics simulations of mixtures of poly(styrenesulfonate)(PSS) and poly(diallyldimethylammonium) (PDADMA) polyelectrolytes…”
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Crystalline polymorphism induced by charge regulation in ionic membranes by Leung, Cheuk-Yui, Palmer, Liam C., Kewalramani, Sumit, Qiao, Baofu, Stupp, Samuel I., de la Cruz, Monica Olvera, Bedzyk, Michael J.

“…The crystallization of molecules with polar and hydrophobic groups, such as ionic amphiphiles and proteins, is of paramount importance in biology and…”
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Acid-Base Equilibrium and Dielectric Environment Regulate Charge in Supramolecular Nanofibers by Nap, Rikkert J, Qiao, Baofu, Palmer, Liam C, Stupp, Samuel I, Olvera de la Cruz, Monica, Szleifer, Igal

“…Peptide amphiphiles are a class of molecules that can self-assemble into a variety of supramolecular structures, including high-aspect-ratio nanofibers. It is…”
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Atomistic Study of Surface Effects on Polyelectrolyte Adsorption: Case Study of a Poly(styrenesulfonate) Monolayer by Qiao, Baofu, Cerdà, Juan J, Holm, Christian

“…Extensive all-atom molecular dynamics simulations have been performed to investigate the effect of surface features on the adsorption of poly(styrenesulfonate)…”
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Origin of Proteolytic Stability of Peptide-Brush Polymers as Globular Proteomimetics by Sun, Hao, Qiao, Baofu, Choi, Wonmin, Hampu, Nicholas, McCallum, Naneki C, Thompson, Matthew P, Oktawiec, Julia, Weigand, Steven, Ebrahim, Omar M, de la Cruz, Monica Olvera, Gianneschi, Nathan C

“…Peptide-brush polymers (PBPs), wherein every side-chain of the polymers is peptidic, represent a new class of proteomimetic with unusually high proteolytic…”
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Molecular Origins of Mesoscale Ordering in a Metalloamphiphile Phase by Qiao, Baofu, Ferru, Geoffroy, Olvera de la Cruz, Monica, Ellis, Ross J

“…Controlling the assembly of soft and deformable molecular aggregates into mesoscale structures is essential for understanding and developing a broad range of…”
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