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Rashidi Saman Hormozi Faramarz Sarafraz Mohammad Mohsen 《Journal of Thermal Analysis and Calorimetry》2021,143(3):1833-1854
Journal of Thermal Analysis and Calorimetry - Boiling process is a highly efficient mechanism of heat transfer, which has an important role in industrial and domestic sectors. In this process, a... 相似文献
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《Comptes Rendus Mathematique》2019,357(8):686-690
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Nonlinear Dynamics - The ability to robustly and efficiently control the dynamics of nonlinear systems lies at the heart of many current technological challenges, ranging from drug delivery systems... 相似文献
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Kay E. B. Doncom Helen Willcock Rachel K. O'Reilly 《Journal of polymer science. Part A, Polymer chemistry》2014,52(21):3026-3031
A diblock copolymer consisting of tetrahydropyranyl acrylate (THPA) as a pH‐deprotectable block, and a permanently hydrophobic block, methyl acrylate, was synthesized by RAFT polymerization using a quaternary amine functionalized, hydrophilic, RAFT chain transfer agent. The polymer self‐assembled in water to form vesicles with Dh = 130 nm, as determined by DLS and cryogenic transmission electron microscopy. Acid catalyzed deprotection of the THPA units to yield acrylic acid resulted in a vesicle to micelle morphology transition, as evidenced by the decrease in hydrodynamic diameter to Dh = 19 nm and the observation of micelles by dry state transmission electron microscopy. © 2014 Wiley Periodicals, Inc. J. Polym. Sci., Part A: Polym. Chem. 2014 , 52, 3026–3031 相似文献
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Louise B. Wright J. Pablo Palafox-Hernandez P. Mark Rodger Stefano Corni Tiffany R. Walsh 《Chemical science》2015,6(9):5204-5214
Peptide sequences that can discriminate between gold facets under aqueous conditions offer a promising route to control the growth and organisation of biomimetically-synthesised gold nanoparticles. Knowledge of the interplay between sequence, conformations and interfacial properties is essential for predictable manipulation of these biointerfaces, but the structural connections between a given peptide sequence and its binding affinity remain unclear, impeding practical advances in the field. These structural insights, at atomic-scale resolution, are not easily accessed with experimental approaches, but can be delivered via molecular simulation. A current unmet challenge lies in forging links between predicted adsorption free energies derived from enhanced sampling simulations with the conformational ensemble of the peptide and the water structure at the surface. To meet this challenge, here we use an in situ combination of Replica Exchange with Solute Tempering with Metadynamics simulations to predict the adsorption free energy of a gold-binding peptide sequence, AuBP1, at the aqueous Au(111), Au(100)(1 × 1) and Au(100)(5 × 1) interfaces. We find adsorption to the Au(111) surface is stronger than to Au(100), irrespective of the reconstruction status of the latter. Our predicted free energies agree with experiment, and correlate with trends in interfacial water structuring. For gold, surface hydration is predicted as a chief determining factor in peptide–surface recognition. Our findings can be used to suggest how shaped seed-nanocrystals of Au, in partnership with AuBP1, could be used to control AuNP nanoparticle morphology. 相似文献
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In this paper, we investigate the mean squared derivative cost functions that arise in various applications such as in motor control, biometrics and optimal transport theory. We provide qualitative properties, explicit analytical formulas and computational algorithms for the cost functions. We also perform numerical simulations to illustrate the analytical results. In addition, as a by‐product of our analysis, we obtain an explicit formula for the inverse of a Wronskian matrix that is of independent interest in linear algebra and differential equations theory. Copyright © 2017 John Wiley & Sons, Ltd. 相似文献
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James P. C. Coverdale Dr. Carlos Sanchez‐Cano Dr. Guy J. Clarkson Dr. Rina Soni Prof. Dr. Martin Wills Prof. Dr. Peter J. Sadler 《Chemistry (Weinheim an der Bergstrasse, Germany)》2015,21(22):8043-8046
Asymmetric transfer hydrogenation (ATH) is an important process in organic synthesis for which the Noyori‐type RuII catalysts [(arene)Ru(Tsdiamine)] are now well established and widely used. We now demonstrate for the first time the catalytic activity of the osmium analogues. X‐ray crystal structures of the 16‐electron OsII catalysts are almost identical to those of RuII. Intriguingly the precursor complex was isolated as a dichlorido complex with a monodentate amine ligand. The OsII catalysts are readily synthesised (within 1 h) and exhibit excellent enantioselectivity in ATH reactions of ketones. 相似文献