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Results for “COOPERATION”
Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.
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Cooperative Transport in a Multi-Particle, Multi-Dimensional Flashing Ratchet
In this work, random and undirected forces are rectified in biological and synthetic systems using ratcheting mechanisms, which employ periodic asymmetric potentials and nonequilibrium conditions to produce useful transport. The density of motors or transported particles is known to strongly affect the nature and efficacy of transport in biological systems, as well as in synthetic ratchets and active swimmer systems. While experimental ratchet implementations normally employ potentials varying in two dimensions (2D), the role of the density of interacting particles in such a system has not been modeled. Prompted by experimental observations and building upon previous simulations, this paper describes the ratcheting process of interacting particles in a 2D flashing ratchet, examined using classical simulations. Increased particle density is found to allow effective ratcheting at higher driving frequencies, compared to the low-density or non-interacting case. High densities also produce a new ratcheting mode at low driving frequencies, based on independent trajectories of high kinetic-energy particles, more than doubling transport at low frequencies.
Molecular Level Design Principle behind Optimal Sizes of Photosynthetic LH2 Complex: Taming Disorder through Cooperation of Hydrogen Bonding and Quantum Delocalization
Here we discuss the light harvesting 2 (LH2) antenna complex from purple photosynthetic bacteria is an efficient natural excitation energy carrier with well-known symmetric structure, but the molecular level design principle governing its structure-function relationship is unknown. Our all-atomistic simulations of nonnatural analogues of LH2 as well as those of a natural LH2 suggest that nonnatural sizes of LH2-like complexes could be built. However, stable and consistent hydrogen bonding (HB) between bacteriochlorophyll and the protein is shown to be possible only near naturally occurring sizes, leading to significantly smaller disorder than for nonnatural ones. Extensive quantum calculations of intercomplex exciton transfer dynamics, sampled for a large set of disorder, reveal that taming the negative effect of disorder through a reliable HB as well as quantum delocalization of the exciton is a critical mechanism that makes LH2 highly functional, which also explains why the natural sizes of LH2 are indeed optimal.
Cooperation and Environment Characterize the Low-Lying Optical Spectrum of Liquid Water
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Tuning Cooperative Assembly with Bottlebrush Block Copolymers for Porous Metal Oxide Films Using Solvent Mixtures
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Cooperative Self-Assembly of Lipid–Polymer Hybrids Stabilizing Highly Ordered Bicontinuous Cubic Phases in Air
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Cooper Pair Density of Bi 2 Sr 2 CaCu 2 O 8+ x in Atomic scale at 4.2 K
In pursuit of the elusive mechanism of high-T C superconductors (HTSC), spectroscopic imaging scanning tunneling microscopy (SI-STM) is an indispensable tool for surveying local properties of HTSC. Since a conventional STM utilizes metal tips, which allow the examination of only quasiparticles and not superconducting (SC) pairs, Josephson tunneling using STM has been demonstrated by many authors in the past. An atomically resolved scanning Josephson tunneling microscopy (SJTM), however, was realized only recently on Bi 2 Sr 2 CaCu 2 O 8+x (Bi-2212) below 50 mK and on the Pb(110) surface at 20 mK. Here we report the atomically resolved SJTM on Bi 2 Sr 2 CaCu 2 O 8+x at 4.2 K using Bi-2212 tips created in situ. The I-V characteristics show clear zero bias conductance peaks following Ambegaokar-Baratoff (AB) theory. A gap map was produced for the first time using an atomically resolved Josephson critical current map I C (r) and AB theory. Surprisingly, we found that this new gap map is anticorrelated to the gap map produced by a conventional method relying on the coherence peaks. Quasiparticle resonance due to a single isolated zinc atom impurity was also observed by SJTM, indicating that atomically resolved SJTM was achieved at 4.2 K. Lastly, our result provides a starting point for realizing SJTM at even higher temperatures, rendering possible investigation of the existence of SC pairs in HTSC above the T C .
Harnessing Cooperative Interactions between Thermoresponsive Aptamers and Gels To Trap and Release Nanoparticles
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Cooperative Role of Mixed Solvent in the Evaporation-Induced Self-Assembly of Polypeptoid Nanocrystals
Peptoids, or polypeptoids, are biomimetic polymers that can self-assemble into nanocrystals for biomedical and biotechnological applications. Polypeptoid nanocrystals can be prepared by evaporation-induced self-assembly, but the roles of solvent components for this process have long been overlooked at the molecular level, leaving a tunable parameter for improving self-assembly protocols. This work utilized molecular dynamics simulations to study the effects of water and the commonly used tetrahydrofuran (THF) on the assembly of nanosheets from molecules of acetylated diblock polypeptoid, poly-(N-decylglycine)-b-poly-(N-2-(2-(2-methoxyethoxy)-ethoxy) ethylglycine), abbreviated as Ac-Ndc10-Nte10. To probe the stages of self-assembly, isolated molecules and preassembled nanofibers/nanosheets were simulated in pure THF, water, and their mixtures, respectively. The assembly energies show that the THF/water mixture has a greater tendency to form nanosheets than pure water. In a THF/water mixture, polypeptoids were found more uncoiled in isolated states, less compact in disordered agglomerates, and with reduced requirement for the Nte block to cover hydrophobic Ndc surfaces in the nanocrystals. Mixed solvent is vital to initiating self-assembly, as THF assists in the opening of coiled polypeptoid molecules, while water provides the thermodynamics to aggregate and ultimately form nanocrystals. To obtain wider nanosheets, it is recommended that some THF be maintained in the aqueous solvent before it becomes exhausted by evaporation. Near the nanosheet surface, the THF concentration is higher than that in bulk solution (3-4 times in 4 M THF/water). The strong adsorption of THF indicates the self-assembly in a de facto mixed solvent. These results are expected to guide the refinement of evaporation-induced self-assembly protocols for polypeptoid nanocrystals.
Cooperative Catalysis by Surface Lewis Acid/Silanol for Selective Fructose Etherification on Sn-SPP Zeolite
While Lewis-acid zeolites, such as Sn-Beta, catalyze glucose isomerization in an alcoholic medium, mesoporous Sn-SPP catalyzes both glucose isomerization to fructose and fructose etherification (formally ketalization) to ethyl fructoside, enabling fructose yields in excess of the glucose/fructose equilibrium. Using periodic density functional theory calculations and force-field-based Monte Carlo simulations, the ketalization reaction mechanism and adsorption behavior were examined. The silanols on the Sn-SPP mesopore surface facilitate the ketalization reaction through hydrogen bonding interactions at the transition state, only possible via a Sn–O–Si–OH moiety, present in Sn-SPP but not in Sn-Beta. Fructose ketalization is favored over glucose acetalization due to differences in stability of the oxonium intermediates, which are stabilized by the Sn-SPP active site. The open site of hydrophobic Sn-Beta cannot perform these reactions because its active site does not contain an adjacent silanol of the right geometry. Finally, in addition to the more favorable activation barrier of the catalytic process, the adsorption at the catalytic site in Sn-SPP is also found to be more favorable than for Sn-Beta, in spite of competitive adsorption between fructose and ethanol in the ethanol-saturated zeolites.