Electrical or Photocontrol of the Rotary Motion of a Metallacarborane

Hawthorne, M. Frederick; Zink, Jeffrey I.; Skelton, Johnny M.; Bayer, Michael J.; Liu, Chris; Livshits, Ester; Baer, Roi; Neuhauser, Daniel

doi:10.1126/science.1093846

Cited by 285 publications

(150 citation statements)

References 25 publications

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“…More recently, a number of significant efforts, both theoretical and experimental, have been made to study models of possible bio-mimetic mechanical devices which employ a change in their geometry, inflicted by internal forces, as the means of self-propulsion (see, e.g., the works of Hirose (1993), Mason and Burdick (2000), McIsaac and Ostrowski (2000), Martinez and Cortes (2001), Trintafyllou et al (2000), Morgansen et al (2001), Fukuda et al (1995), Guo et al (2002), Hawthorne et al (2004) as well as Belter and Skrzypczyński (2010) and the references therein). It was also be recognized that the sophistication and complexity of the design of bio-mimetic robots give rise to control-theoretic methods (see, e.g., the works of Koiller et al (1996), Khapalov (1999), McIsaac and Ostrowski (2000), Martinez and Cortes (2001), Trintafyllou et al (2000), San Martin et al (2007), Alouges et al (2008) as well as Sigalotti and Vivalda (2009) and the references therein).…”

Section: Problem Formulation For 3-d Swimming Modelmentioning

confidence: 99%

The well-posedness of a swimming model in the 3-D incompressible fluid governed by the nonstationary Stokes equation

Khapalov

2013

International Journal of Applied Mathematics and Computer Science

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We introduce and investigate the well-posedness of a model describing the self-propelled motion of a small abstract swimmer in the 3-D incompressible fluid governed by the nonstationary Stokes equation, typically associated with low Reynolds numbers. It is assumed that the swimmer's body consists of finitely many subsequently connected parts, identified with the fluid they occupy, linked by rotational and elastic Hooke forces. Models like this are of interest in biological and engineering applications dealing with the study and design of propulsion systems in fluids.

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Section: Problem Formulation For 3-d Swimming Modelmentioning

confidence: 99%

The well-posedness of a swimming model in the 3-D incompressible fluid governed by the nonstationary Stokes equation

Khapalov

2013

International Journal of Applied Mathematics and Computer Science

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“…Due to their axially directed terminal bonds and rigid cage structures, carboranes also offer a unique opportunity in the area of molecular engineering for their potential application as a molecular anchor between two active reaction centers, and have been the subject of numerous experimental and theoretical studies [8][9][10][11]. It has been found that electron transfer (ET) across the carborane cage plays an important role in controlling the redox process in Ni-carboranes [12]. Therefore, an understanding of the electron transfer process across the carborane cages and its relationships to molecular geometry and electronic structure is deemed important.…”

Section: Introductionmentioning

confidence: 99%

Ab initio quantum chemical study of electron transfer in carboranes

Pati

Pineda

Pandey

et al. 2005

Chemical Physics Letters

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“…Synthetic motor-molecules (7)(8)(9)(10)(11), which are designed to excel where their biological counterparts fall short, also have been investigated. Whereas devices powered by biological molecules require (4-6) chemical diffusion for actuation stimulus, synthetic molecules have been shown (2,9) to operate with a variety of different stimuli, thereby lending much greater flexibility to a particular system's design.…”

Section: Olecular Motors Have Recently Garnered Considerable In-mentioning

confidence: 99%

Evaluation of synthetic linear motor-molecule actuation energetics

Brough¹,

Northrop

Schmidt

et al. 2006

Proc. Natl. Acad. Sci. U.S.A.

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By applying atomic force microscope (AFM)-based force spectroscopy together with computational modeling in the form of molecular force-field simulations, we have determined quantitatively the actuation energetics of a synthetic motor-molecule. This multidisciplinary approach was performed on specifically designed, bistable, redox-controllable [2]rotaxanes to probe the steric and electrostatic interactions that dictate their mechanical switching at the single-molecule level. The fusion of experimental force spectroscopy and theoretical computational modeling has revealed that the repulsive electrostatic interaction, which is responsible for the molecular actuation, is as high as 65 kcal⅐mol ؊1 , a result that is supported by ab initio calculations.computational modeling ͉ force spectroscopy ͉ molecular motors ͉ switchable rotaxanes M olecular motors have recently garnered considerable interest within the domains of microsciences and nanosciences (1, 2). Harnessing the ability to selectively, cooperatively, and repeatedly induce structural changes in molecules may hold the promise of engineered systems that operate with the same complexity, elegance, and efficiency as biological motors function in the human body. In natural systems, it has become apparent that both macro and micro processes are initiated and controlled by nanoscale molecular motors (3). For example, myosin and kinesin are associated with muscle contraction and intracellular trafficking, respectively, and have recently found their ways into engineered devices (4, 5). Moreover, initial work has been performed that demonstrates the ability of natural nanoscale molecular motors to power microfabricated systems (6).Synthetic motor-molecules (7-11), which are designed to excel where their biological counterparts fall short, also have been investigated. Whereas devices powered by biological molecules require (4-6) chemical diffusion for actuation stimulus, synthetic molecules have been shown (2, 9) to operate with a variety of different stimuli, thereby lending much greater flexibility to a particular system's design. Moreover, a synthetic nanoscale actuating molecule carries with it an inherent ability to be modified and optimized precisely for a specific task.Switchable, bistable rotaxanes (2, 9), compounds comprised of a dumbbell-shaped component containing two different recognition sites for an encircling ring-shaped component, show particular promise as molecular actuators, given their ability to undergo controllable, reversible mechanical switching with the appropriate chemical, electrochemical, or photochemical stimulus in solution. Toward the goal of device applications, switching has been shown to operate in condensed phases such as in a polymer electrolyte gel (12), on a self-assembled monolayer (SAM) (13), on the solid supports of engineered systems (14), and in molecular switch tunnel junctions (15). Bistable rotaxanes benefit from their synthesis being highly modular, a virtue that allows for a considerable degree of flexibility in their des...

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Electrical or Photocontrol of the Rotary Motion of a Metallacarborane

Cited by 285 publications

References 25 publications

The well-posedness of a swimming model in the 3-D incompressible fluid governed by the nonstationary Stokes equation

The well-posedness of a swimming model in the 3-D incompressible fluid governed by the nonstationary Stokes equation

Ab initio quantum chemical study of electron transfer in carboranes

Evaluation of synthetic linear motor-molecule actuation energetics

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