Science.gov

Sample records for molecular motors design

  1. Molecular motors

    NASA Astrophysics Data System (ADS)

    Allemand, Jean François Desbiolles, Pierre

    2015-10-01

    How do we move? More precisely, what are the molecular mechanisms that can explain that our muscles, made of very small components can move at a osopic scale? To answer these questions we must introduce molecular motors. Those motors are proteins, or small protein assemblies that, in our cells, transform chemical energy into mechanical work. Then, like we could do for a oscopic motor, used in a car or in a fan, we are going to study the basic behavior of these molecular machines, present what are their energy sources, calculate their power, their yield. If molecular motors are crucial for our oscopic movements, we are going to see that they are also essential to cellular transport and that considering the activity of some enzymes as molecular motors bring some interesting new insights on their activity.

  2. Progress toward a rationally designed, chemically powered rotary molecular motor.

    PubMed

    Kelly, T Ross; Cai, Xiaolu; Damkaci, Fehmi; Panicker, Sreeletha B; Tu, Bin; Bushell, Simon M; Cornella, Ivan; Piggott, Matthew J; Salives, Richard; Cavero, Marta; Zhao, Yajun; Jasmin, Serge

    2007-01-17

    Building on prototype 1, which achieves 120 degrees of phosgene-powered unidirectional rotation to rotamer 6 (see Figure 5 in the full article), 7 was designed to accomplish repeated unidirectional rotation (see Scheme 7). Compound 7 contains an amino group on each blade of the triptycene and a 4-(dimethylamino)pyridine (DMAP) unit to selectively deliver phosgene (or its equivalent) to the amine in the "firing position". The synthesis of 7 is described: the key constructive steps are a benzyne addition to an anthracene to generate the triptycene, a stilbene photocyclization to construct the helicene, and a Stille coupling to incorporate the DMAP unit. The DMAP unit was shown to regioselectively relay 1,1'-carbonyldiimidazole (but not phosgene) to the proximal amino group, as designed, but rotation of the triptycene does not occur. Extensive attempts to troubleshoot the problem led to the conclusion that the requisite intramolecular urethane formation, as demonstrated in the prototype (1 --> 4), does not occur with 7 (to give 85) or 97 (to give 100). We speculate that either (i) hydrogen bonding between the hydroxypropyl group and functionality present in 7 but absent from 1 or (ii) a Bürgi-Dunitz (or similar) interaction involving the DMAP (see 106) prevents achievement of a conformation conducive to intramolecular urethane formation. PMID:17212418

  3. Molecular motors: nature's nanomachines.

    PubMed

    Tyreman, M J A; Molloy, J E

    2003-12-01

    Molecular motors are protein-based machines that convert chemical potential energy into mechanical work. This paper aims to introduce the non-specialist reader to molecular motors, in particular, acto-myosin, the prototype system for motor protein studies. These motors produce their driving force from changes in chemical potential arising directly from chemical reactions and are responsible for muscle contraction and a variety of other cell motilities.

  4. Computational Design of a Family of Light-Driven Rotary Molecular Motors with Improved Quantum Efficiency.

    PubMed

    Nikiforov, Alexander; Gamez, Jose A; Thiel, Walter; Filatov, Michael

    2016-01-01

    Two new light-driven molecular rotary motors based on the N-alkylated indanylidene benzopyrrole frameworks are proposed and studied using quantum chemical calculations and nonadiabatic molecular dynamics simulations. These new motors perform pure axial rotation, and the photochemical steps of the rotary cycle are dominated by the fast bond-length-alternation motion that enables ultrafast access to the S1/S0 intersection. The new motors are predicted to display a quantum efficiency higher than that of the currently available synthetic all-hydrocarbon motors. Remarkably, the quantum efficiency is not governed by the topography (peaked versus sloped) of the minimum-energy conical intersection, whereas the S1 decay time depends on the topography as well as on the energy of the intersection relative to the S1 minimum. It is the axial chirality (helicity), rather than the point chirality, that controls the sense of rotation of the motor. PMID:26670164

  5. Computational Design of a Family of Light-Driven Rotary Molecular Motors with Improved Quantum Efficiency.

    PubMed

    Nikiforov, Alexander; Gamez, Jose A; Thiel, Walter; Filatov, Michael

    2016-01-01

    Two new light-driven molecular rotary motors based on the N-alkylated indanylidene benzopyrrole frameworks are proposed and studied using quantum chemical calculations and nonadiabatic molecular dynamics simulations. These new motors perform pure axial rotation, and the photochemical steps of the rotary cycle are dominated by the fast bond-length-alternation motion that enables ultrafast access to the S1/S0 intersection. The new motors are predicted to display a quantum efficiency higher than that of the currently available synthetic all-hydrocarbon motors. Remarkably, the quantum efficiency is not governed by the topography (peaked versus sloped) of the minimum-energy conical intersection, whereas the S1 decay time depends on the topography as well as on the energy of the intersection relative to the S1 minimum. It is the axial chirality (helicity), rather than the point chirality, that controls the sense of rotation of the motor.

  6. Mechanics of molecular motors

    NASA Astrophysics Data System (ADS)

    Visscher, Koen

    2001-03-01

    Molecular motors convert chemical energy into work by mechanisms that researchers are just starting to uncover. We have studied the coupling of chemistry to mechanics for kinesin, a motor protein that moves in a stepwise fashion along microtubules and is energized by the hydrolysis of ATP. Velocities of individual kinesin molecules at varying ATP concentrations and loads were recorded using a molecular force cl& a feedback-driven optical trap, which maintains constant loads on individual moving motor molecules. These measurements showed that kinesin requires only a single ATP molecule per mechanical step, and revealed the load-dependant biochemical transitions in the kinesin cycle where conformational changes are likely to occur. Modeling of the velocity data showed that kinesin mechanochemistry can be characterized by a mechanism that involves a thermally-activated and load-dependent isomerization directly following ATP binding. The model quantitatively accounts for velocity data over a wide range of loads and ATP concentrations, and indicates that movement may be accomplished through two sequential, non-identical, 4-nm sized substeps.

  7. Theoretical Modelling of Synthetic Molecular Motors

    NASA Astrophysics Data System (ADS)

    Barbu, Corina; Sofo, Jorge; Crespi, Vincent

    2004-03-01

    Synthetic molecular motors with sizes of few nanometers offer prospects to control molecular-scale mechanical motion. Motors with electric dipoles designed into their structure can undergo conformational changes in response to an external electric field and thereby, in principle, perform mechanical work. The synthetic rotary motor of our interest consists of a molecular caltrop with a three-legged base for attachment to a substrate and a molecular shaft functionalized with a molecular rotor at the upper end. Both the static dipole and the electric field-induced dipole of the molecular rotor are relevant to producing rotation. Also, the combination of external electrostatic torque and the internal thermal fluctuations must be sufficient to overcome any rotational barriers on experimentally relevant timescales. Density functional theory calculations at the B3LYP/TZV level coupled to analytical modelling reveal the dynamical response of the motor.

  8. Nanotechnology Review: Molecular Electronics to Molecular Motors

    NASA Technical Reports Server (NTRS)

    Srivastava, Deepak; Saini, Subhash (Technical Monitor)

    1998-01-01

    Reviewing the status of current approaches and future projections, as already published in scientific journals and books, the talk will summarize the direction in which computational and experimental nanotechnologies are progressing. Examples of nanotechnological approaches to the concepts of design and simulation of carbon nanotube based molecular electronic and mechanical devices will be presented. The concepts of nanotube based gears and motors will be discussed. The above is a non-technical review talk which covers long term precompetitive basic research in already published material that has been presented before many US scientific meeting audiences.

  9. From Computational Photobiology to the Design of Vibrationally Coherent Molecular Devices and Motors

    NASA Astrophysics Data System (ADS)

    Olivucci, Massimo

    2014-03-01

    In the past multi-configurational quantum chemical computations coupled with molecular mechanics force fields have been employed to investigate spectroscopic, thermal and photochemical properties of visual pigments. Here we show how the same computational technology can nowadays be used to design, characterize and ultimately, prepare light-driven molecular switches which mimics the photophysics of the visual pigment bovine rhodopsin (Rh). When embedded in the protein cavity the chromophore of Rh undergoes an ultrafast and coherent photoisomerization. In order to design a synthetic chromophore displaying similar properties in common solvents, we recently focused on indanylidene-pyrroline (NAIP) systems. We found that these systems display light-induced ground state coherent vibrational motion similar to the one detected in Rh. Semi-classical trajectories provide a mechanistic description of the structural changes associated to the observed coherent motion which is shown to be ultimately due to periodic changes in the π-conjugation.

  10. Molecular motors: Dynein's gearbox.

    PubMed

    Cross, R A

    2004-05-01

    A new optical trapping study shows that the stepsize of cytoplasmic dynein varies according to the applied force, suggesting that this motor can change gear. Complementary biochemical kinetic work on yeast dynein mutants hints at the allosteric mechanisms involved.

  11. Molecular Motors: A Theorist's Perspective

    NASA Astrophysics Data System (ADS)

    Kolomeisky, Anatoly B.; Fisher, Michael E.

    2007-05-01

    Individual molecular motors, or motor proteins, are enzymatic molecules that convert chemical energy, typically obtained from the hydrolysis of ATP (adenosine triphosphate), into mechanical work and motion. Processive motor proteins, such as kinesin, dynein, and certain myosins, step unidirectionally along linear tracks, specifically microtubules and actin filaments, and play a crucial role in cellular transport processes, organization, and function. In this review some theoretical aspects of motor-protein dynamics are presented in the light of current experimental methods that enable the measurement of the biochemical and biomechanical properties on a single-molecule basis. After a brief discussion of continuum ratchet concepts, we focus on discrete kinetic and stochastic models that yield predictions for the mean velocity, V(F, [ATP], …), and other observables as a function of an imposed load force F, the ATP concentration, and other variables. The combination of appropriate theory with single-molecule observations should help uncover the mechanisms underlying motor-protein function.

  12. Molecular propellers and tunneling-driven motors

    NASA Astrophysics Data System (ADS)

    Vukovic, Lela; Wang, Boyang; Kral, Petr

    2008-03-01

    We design molecular propellers with carbon nanotube rotors and aromatic blades that allow selective pumping of hydrophobic and hydrophilic liquids [1]. Our molecular dynamics studies show that the pumping efficiency strongly depends on the chemistry of the liquid-blade interface. We also discuss several prototypes of highly efficient molecular motors driven by electron tunneling that could drive such rotary molecular machines [2]. These systems might pump liquids and provide motility at the nanoscale. [1] B. Wang and P. Kr'al, Phys. Rev. Lett. 98, 266102 (2007). [2] L. Vukovic, B. Wang and P. Kr'al, submitted.

  13. Thermodynamics and kinetics of molecular motors.

    PubMed

    Astumian, R Dean

    2010-06-01

    Molecular motors are first and foremost molecules, governed by the laws of chemistry rather than of mechanics. The dynamical behavior of motors based on chemical principles can be described as a random walk on a network of states. A key insight is that any molecular motor in solution explores all possible motions and configurations at thermodynamic equilibrium. By using input energy and chemical design to prevent motion that is not wanted, what is left behind is the motion that is desired. This review is focused on two-headed motors such as kinesin and Myosin V that move on a polymeric track. By use of microscopic reversibility, it is shown that the ratio between the number of forward steps and the number of backward steps in any sufficiently long time period does not directly depend on the mechanical properties of the linker between the two heads. Instead, this ratio is governed by the relative chemical specificity of the heads in the front-versus-rear position for the fuel, adenosine triphosphate and its products, adenosine diphosphate and inorganic phosphate. These insights have been key factors in the design of biologically inspired synthetic molecular walkers constructed out of DNA or out of small organic molecules.

  14. Molecular motors and their functions in plants

    NASA Technical Reports Server (NTRS)

    Reddy, A. S.

    2001-01-01

    Molecular motors that hydrolyze ATP and use the derived energy to generate force are involved in a variety of diverse cellular functions. Genetic, biochemical, and cellular localization data have implicated motors in a variety of functions such as vesicle and organelle transport, cytoskeleton dynamics, morphogenesis, polarized growth, cell movements, spindle formation, chromosome movement, nuclear fusion, and signal transduction. In non-plant systems three families of molecular motors (kinesins, dyneins, and myosins) have been well characterized. These motors use microtubules (in the case of kinesines and dyneins) or actin filaments (in the case of myosins) as tracks to transport cargo materials intracellularly. During the last decade tremendous progress has been made in understanding the structure and function of various motors in animals. These studies are yielding interesting insights into the functions of molecular motors and the origin of different families of motors. Furthermore, the paradigm that motors bind cargo and move along cytoskeletal tracks does not explain the functions of some of the motors. Relatively little is known about the molecular motors and their roles in plants. In recent years, by using biochemical, cell biological, molecular, and genetic approaches a few molecular motors have been isolated and characterized from plants. These studies indicate that some of the motors in plants have novel features and regulatory mechanisms. The role of molecular motors in plant cell division, cell expansion, cytoplasmic streaming, cell-to-cell communication, membrane trafficking, and morphogenesis is beginning to be understood. Analyses of the Arabidopsis genome sequence database (51% of genome) with conserved motor domains of kinesin and myosin families indicates the presence of a large number (about 40) of molecular motors and the functions of many of these motors remain to be discovered. It is likely that many more motors with novel regulatory

  15. Towards synthetic molecular motors: a model elastic-network study

    NASA Astrophysics Data System (ADS)

    Sarkar, Amartya; Flechsig, Holger; Mikhailov, Alexander S.

    2016-04-01

    Protein molecular motors play a fundamental role in biological cells and development of their synthetic counterparts is a major challenge. Here, we show how a model motor system with the operation mechanism resembling that of muscle myosin can be designed at the concept level, without addressing the implementation aspects. The model is constructed as an elastic network, similar to the coarse-grained descriptions used for real proteins. We show by numerical simulations that the designed synthetic motor can operate as a deterministic or Brownian ratchet and that there is a continuous transition between such two regimes. The motor operation under external load, approaching the stall condition, is also analysed.

  16. Molecular Motors: Power Strokes Outperform Brownian Ratchets.

    PubMed

    Wagoner, Jason A; Dill, Ken A

    2016-07-01

    Molecular motors convert chemical energy (typically from ATP hydrolysis) to directed motion and mechanical work. Their actions are often described in terms of "Power Stroke" (PS) and "Brownian Ratchet" (BR) mechanisms. Here, we use a transition-state model and stochastic thermodynamics to describe a range of mechanisms ranging from PS to BR. We incorporate this model into Hill's diagrammatic method to develop a comprehensive model of motor processivity that is simple but sufficiently general to capture the full range of behavior observed for molecular motors. We demonstrate that, under all conditions, PS motors are faster, more powerful, and more efficient at constant velocity than BR motors. We show that these differences are very large for simple motors but become inconsequential for complex motors with additional kinetic barrier steps. PMID:27136319

  17. Molecular motors: thermodynamics and the random walk.

    PubMed Central

    Thomas, N.; Imafuku, Y.; Tawada, K.

    2001-01-01

    The biochemical cycle of a molecular motor provides the essential link between its thermodynamics and kinetics. The thermodynamics of the cycle determine the motor's ability to perform mechanical work, whilst the kinetics of the cycle govern its stochastic behaviour. We concentrate here on tightly coupled, processive molecular motors, such as kinesin and myosin V, which hydrolyse one molecule of ATP per forward step. Thermodynamics require that, when such a motor pulls against a constant load f, the ratio of the forward and backward products of the rate constants for its cycle is exp [-(DeltaG + u(0)f)/kT], where -DeltaG is the free energy available from ATP hydrolysis and u(0) is the motor's step size. A hypothetical one-state motor can therefore act as a chemically driven ratchet executing a biased random walk. Treating this random walk as a diffusion problem, we calculate the forward velocity v and the diffusion coefficient D and we find that its randomness parameter r is determined solely by thermodynamics. However, real molecular motors pass through several states at each attachment site. They satisfy a modified diffusion equation that follows directly from the rate equations for the biochemical cycle and their effective diffusion coefficient is reduced to D-v(2)tau, where tau is the time-constant for the motor to reach the steady state. Hence, the randomness of multistate motors is reduced compared with the one-state case and can be used for determining tau. Our analysis therefore demonstrates the intimate relationship between the biochemical cycle, the force-velocity relation and the random motion of molecular motors. PMID:11600075

  18. Quantum dynamics of light-driven chiral molecular motors.

    PubMed

    Yamaki, Masahiro; Nakayama, Shin-ichiro; Hoki, Kunihito; Kono, Hirohiko; Fujimura, Yuichi

    2009-03-21

    The results of theoretical studies on quantum dynamics of light-driven molecular motors with internal rotation are presented. Characteristic features of chiral motors driven by a non-helical, linearly polarized electric field of light are explained on the basis of symmetry argument. The rotational potential of the chiral motor is characterized by a ratchet form. The asymmetric potential determines the directional motion: the rotational direction is toward the gentle slope of the asymmetric potential. This direction is called the intuitive direction. To confirm the unidirectional rotational motion, results of quantum dynamical calculations of randomly-oriented molecular motors are presented. A theoretical design of the smallest light-driven molecular machine is presented. The smallest chiral molecular machine has an optically driven engine and a running propeller on its body. The mechanisms of transmission of driving forces from the engine to the propeller are elucidated by using a quantum dynamical treatment. The results provide a principle for control of optically-driven molecular bevel gears. Temperature effects are discussed using the density operator formalism. An effective method for ultrafast control of rotational motions in any desired direction is presented with the help of a quantum control theory. In this method, visible or UV light pulses are applied to drive the motor via an electronic excited state. A method for driving a large molecular motor consisting of an aromatic hydrocarbon is presented. The molecular motor is operated by interactions between the induced dipole of the molecular motor and the electric field of light pulses. PMID:19290336

  19. Development of an electrically driven molecular motor.

    PubMed

    Murphy, Colin J; Sykes, E Charles H

    2014-10-01

    For molecules to be used as components in molecular machinery, methods are required that couple individual molecules to external energy sources in order to selectively excite motion in a given direction. While significant progress has been made in the construction of synthetic molecular motors powered by light and by chemical reactions, there are few experimental examples of electrically driven molecular motors. To this end, we pioneered the use of a new, stable and tunable molecular rotor system based on surface-bound thioethers to comprehensively study many aspects of molecular rotation. As biological molecular motors often operate at interfaces, our synthetic system is especially amenable to microscopic interrogation as compared to solution-based systems. Using scanning tunneling microscopy (STM) and density functional theory, we studied the rotation of surface-bound thioethers, which can be induced either thermally or by electrons from the STM tip in a two-terminal setup. Moreover, the temperature and electron flux can be adjusted to allow each rotational event to be monitored at the molecular scale in real time. This work culminated in the first experimental demonstration of a single-molecule electric motor, where the electrically driven rotation of a butyl methyl sulfide molecule adsorbed on a copper surface could be directionally biased. The direction and rate of the rotation are related to the chirality of both the molecule and the STM tip (which serves as the electrode), illustrating the importance of the symmetry of the metal contacts in atomic-scale electrical devices.

  20. Unidirectional rotary motion in achiral molecular motors

    NASA Astrophysics Data System (ADS)

    Kistemaker, Jos C. M.; Štacko, Peter; Visser, Johan; Feringa, Ben L.

    2015-11-01

    Control of the direction of motion is an essential feature of biological rotary motors and results from the intrinsic chirality of the amino acids from which the motors are made. In synthetic autonomous light-driven rotary motors, point chirality is transferred to helical chirality, and this governs their unidirectional rotation. However, achieving directional rotary motion in an achiral molecular system in an autonomous fashion remains a fundamental challenge. Here, we report an achiral molecular motor in which the presence of a pseudo-asymmetric carbon atom proved to be sufficient for exclusive autonomous disrotary motion of two appended rotor moieties. Isomerization around the two double bonds enables both rotors to move in the same direction with respect to their surroundings—like wheels on an axle—demonstrating that autonomous unidirectional rotary motion can be achieved in a symmetric system.

  1. A Programmable Optical Angle Clamp for Rotary Molecular Motors

    PubMed Central

    Pilizota, Teuta; Bilyard, Thomas; Bai, Fan; Futai, Masamitsu; Hosokawa, Hiroyuki; Berry, Richard M.

    2007-01-01

    Optical tweezers are widely used for experimental investigation of linear molecular motors. The rates and force dependence of steps in the mechanochemical cycle of linear motors have been probed giving detailed insight into motor mechanisms. With similar goals in mind for rotary molecular motors we present here an optical trapping system designed as an angle clamp to study the bacterial flagellar motor and F1-ATPase. The trap position was controlled by a digital signal processing board and a host computer via acousto-optic deflectors, the motor position via a three-dimensional piezoelectric stage and the motor angle using a pair of polystyrene beads as a handle for the optical trap. Bead-pair angles were detected using back focal plane interferometry with a resolution of up to 1°, and controlled using a feedback algorithm with a precision of up to 2° and a bandwidth of up to 1.6 kHz. Details of the optical trap, algorithm, and alignment procedures are given. Preliminary data showing angular control of F1-ATPase and angular and speed control of the bacterial flagellar motor are presented. PMID:17434937

  2. Single rotating molecule-machines: nanovehicles and molecular motors.

    PubMed

    Rapenne, Gwénaël; Joachim, Christian

    2014-01-01

    In the last decade many molecular machines with controlled molecular motions have been synthesized. In the present review chapter we will present and discuss our contribution to the field, in particular through some examples of rotating molecular machines that have been designed, synthesized, and studied in our group. After starting by explaining why it is so important to study such machines as single molecules, we will focus on two families of molecular machines, nanovehicles and molecular motors. The first members of the nanovehicle family are molecules with two triptycenes as wheels: the axle and the wheelbarrow. Then come the four-wheel nanocars. Since triptycene wheels are not very mobile on metallic surfaces, alternative wheels with a bowl-shape structure have also been synthesized and studied on surfaces. The molecular motors are built around ruthenium organometallic centers and have a piano-stool geometry with peripheric ferrocenyl groups.

  3. Single rotating molecule-machines: nanovehicles and molecular motors.

    PubMed

    Rapenne, Gwénaël; Joachim, Christian

    2014-01-01

    In the last decade many molecular machines with controlled molecular motions have been synthesized. In the present review chapter we will present and discuss our contribution to the field, in particular through some examples of rotating molecular machines that have been designed, synthesized, and studied in our group. After starting by explaining why it is so important to study such machines as single molecules, we will focus on two families of molecular machines, nanovehicles and molecular motors. The first members of the nanovehicle family are molecules with two triptycenes as wheels: the axle and the wheelbarrow. Then come the four-wheel nanocars. Since triptycene wheels are not very mobile on metallic surfaces, alternative wheels with a bowl-shape structure have also been synthesized and studied on surfaces. The molecular motors are built around ruthenium organometallic centers and have a piano-stool geometry with peripheric ferrocenyl groups. PMID:24563010

  4. Controlled Rotation and Manipulation of Individual Molecular Motors

    NASA Astrophysics Data System (ADS)

    Kersell, Heath; Perera, U. G. E.; Ample, F.; Zhang, Y.; Vives, G.; Echeverria, J.; Grisolia, M.; Rapenne, G.; Joachim, C.; Hla, S.-W.

    2015-03-01

    The design of artificial molecular machines often takes inspiration from macroscopic machines, but the parallels between the two are frequently only superficial because many molecular machines are governed by quantum processes. Previously, chemically and light driven rotary molecular motors have been developed. For electrically driven motors, tunneling electrons from the tip of a scanning tunneling microscope (STM) have been used to drive rotation in a simple rotor into a single direction and to move a wheeled molecule across a surface. Here, we show that a single standalone molecular motor adsorbed on a gold surface can be made to rotate in a clockwise or counterclockwise direction [1] by selective inelastic electron tunneling through different sub-units of the motor. Our motor is composed of a tripodal stator for vertical positioning, a five-arm rotator for controlled rotations, and a Ru atomic ball bearing connecting the static and rotational parts. The directional rotation originates from saw-tooth-like rotational potentials, which are determined by the internal molecular structure and are independent of the surface adsorption site. This project is supported by the US DOE, BES grant: DE-FG02-02ER46012.

  5. Mechanoregulation of molecular motors in flagella

    NASA Astrophysics Data System (ADS)

    Gadelha, Hermes

    2014-11-01

    Molecular motors are nano-biological machines responsible for exerting forces that drive movement in living organisms, from cargo transport to cell division and motility. Interestingly, despite the inherent complexity of many interacting motors, order and structure may arise naturally, as exemplified by the harmonic, self-organized undulatory motion of the flagellum. The real mechanisms behind this collective spontaneous oscillation are still unknown, and it is challenging task to measure experimentally the molecular motor dynamics within the flagellar structure in real time. In this talk we will explore different competing hypotheses that are capable of generating flagellar bending waves that ``resemble'' in-vitro observations, emphasizing the need for further mathematical analysis and model validation. It also highlight that this is a fertile and challenging area of inter-disciplinary research for applied mathematicians and demonstrates the importance of future observational and theoretical studies in understanding the underlying mechanics of these motile cell appendages.

  6. Chromatin maintenance by a molecular motor protein

    PubMed Central

    Sung, Myong-Hee; Misteli, Tom

    2011-01-01

    The kinesin motor protein KIF4 performs essential functions in mitosis. Like other mitotic kinesins, loss of KIF4 causes spindle defects, aneuploidy, genomic instability and ultimately tumor formation. However, KIF4 is unique among molecular motors in that it resides in the cell nucleus throughout interphase, suggesting a non-mitotic function as well. Here we identify a novel cellular function for a molecular motor protein by demonstrating that KIF4 acts as a modulator of large-scale chromatin architecture during interphase. KIF4 binds globally to chromatin and its absence leads to chromatin decondensation and loss of heterochromatin domains. KIF4-dependent chromatin decondensation has functional consequences by causing replication defects and global mis-regulation of gene expression programs. KIF4 exerts its function in chromatin architecture via regulation of ADP-ribosylation of core and linker histones and by physical interaction and recruitment of chromatin assembly proteins during S-phase. These observations document a novel function for a molecular motor protein in establishment and maintenance of higher order chromatin structure. PMID:22130187

  7. Remote control of molecular motors using light-activated gearshifting

    NASA Astrophysics Data System (ADS)

    Bryant, Zev

    2013-03-01

    Engineering molecular motors with dynamically controllable properties will allow selective perturbation of mechanical processes in vivo and provide sophisticated components for directed nanoscale transport in vitro. We previously constructed myosin motors that respond to a change in [Ca++] by reversing their direction of motion along the polarized actin filament. To expand the potential applications of controllable molecular motors, we have now developed myosins that shift gears in response to blue light illumination. Light is a versatile control signal that can be readily modulated in time and space, and is generally orthogonal to cellular signaling. Using structure-guided protein engineering, we have incorporated LOV photoreceptor domains into the lever arms of chimeric myosins, resulting in motors that robustly speed up, slow down, or switch directions upon illumination. These genetically encoded motors should be directly deployable inside living cells. Our successful designs include constructs based on two different myosin classes, and we show that optical velocity control can be implemented in motors that move at microns/sec speeds, enabling practical biological and bioengineering applications.

  8. Asymmetric Synthesis of First Generation Molecular Motors

    PubMed Central

    2014-01-01

    A general enantioselective route to functionalized first generation molecular motors is described. An enantioselective protonation of the silyl enol ethers of indanones by a Au(I)BINAP complex sets the stage for a highly diastereoselective McMurry coupling as a second enhancement step for enantiomeric excess. In this way various functionalized overcrowded alkenes could be synthesized in good yields (up to 78%) and good to excellent enantiomeric excess (85% ee–>98% ee) values. PMID:25079823

  9. Molecular rotors and motors: recent advances and future challenges.

    PubMed

    Michl, Josef; Sykes, E Charles H

    2009-05-26

    At the "Molecular Rotors and Motors" symposium of the Spring 2009 ACS National Meeting in Salt Lake City (March 22-26), a diverse mix of talks addressed many current issues in the field. Speakers described topics that varied from single-molecule rotors and nanomachines to exquisite synthetic approaches toward building functional materials and mathematical and computational methods aimed at uncovering design opportunities and highlighting the fundamental limitations of molecular motors. While the realization of building useful nanomachines remains far off, a general consensus abounded that investigating biological systems and understanding the implications of the laws of thermodynamics and quantum mechanics for the behavior of nanostructures will help drive important advances in the quest for molecular machinery. Molecular rotors were demonstrated to have practical applications as probes for microviscosity, and many speakers presented experimental studies that indicated that highly directed translation and rotation of individual molecules, as well as interacting dipolar arrays, are just around the corner. While this Nano Focus is not intended to be a comprehensive review of the subject, it will focus on several key advances that were presented at the ACS meeting and highlight future challenges for the field of molecular rotors and motors. PMID:19845364

  10. Statistical kinetics of processive molecular motors

    NASA Astrophysics Data System (ADS)

    Schnitzer, Mark Jacob

    1999-10-01

    We describe new theoretical and experimental tools for studying biological motor proteins at the single molecule scale. These tools enable measurements of molecular fuel economies, thereby providing insight into the pathways for conversion of biochemical energy into mechanical work. Kinesin is an ATP-dependent motor that moves processively along microtubules in discrete steps of 8 nm. How many molecules of ATP are hydrolysed per step? To determine this coupling ratio, we develop a fluctuation analysis, which relates the variance in records of mechanical displacement to the number of rate-limiting biochemical transitions in the engine cycle. Using fluctuation analysis and optical trapping interferometry, we determine that near zero load, single molecules of kinesin hydrolyse one ATP nucleotide per 8-nm step. To study kinesin behavior under load, we use a molecular force clamp, capable of maintaining constant loads on single kinesin motors moving processively. Analysis of records of motion under variable ATP concentrations and loads reveals that kinesin is a `tightly- coupled' motor, maintaining the 1:1 coupling ratio up to loads of ~ 5 pN. Moreover, a Michaelis-Menten analysis of velocity shows that the kinesin cycle contains at least two load- dependent transitions. The rate of one of these transitions affects ATP affinity, while the other does not. Therefore, the kinesin stall force must depend on the ATP concentration, as is demonstrated experimentally. These findings rule out existing theoretical models of kinesin motility. We develop a simple theoretical formalism describing a tightly-coupled mechanism for movement. This `energy-landscape' formalism quantitatively accounts for motile properties of RNA polymerase (RNAP), the enzyme that transcribes DNA into RNA. The shapes of RNAP force-velocity curves indicate that biochemical steps limiting transcription rates at low loads do not generate movement. Modeling suggests that high loads may halt RNAP by promoting a

  11. Excited state dynamics & optical control of molecular motors

    NASA Astrophysics Data System (ADS)

    Wiley, Ted; Sension, Roseanne

    2014-03-01

    Chiral overcrowded alkenes are likely candidates for light driven rotary molecular motors. At their core, these molecular motors are based on the chromophore stilbene, undergoing ultrafast cis/trans photoisomerization about their central double bond. Unlike stilbene, the photochemistry of molecular motors proceeds in one direction only. This unidirectional rotation is a result of helicity in the molecule induced by steric hindrance. However, the steric hindrance which ensures unidirectional excited state rotation, has the unfortunate consequence of producing large ground state barriers which dramatically decrease the overall rate of rotation. These molecular scale ultrafast motors have only recently been studied by ultrafast spectroscopy. Our lab has studied the photochemistry and photophysics of a ``first generation'' molecular motor with UV-visible transient absorption spectroscopy. We hope to use optical pulse shaping to enhance the efficiency and turnover rate of these molecular motors.

  12. Exact dynamic properties of molecular motors

    NASA Astrophysics Data System (ADS)

    Boon, N. J.; Hoyle, R. B.

    2012-08-01

    Molecular motors play important roles within a biological cell, performing functions such as intracellular transport and gene transcription. Recent experimental work suggests that there are many plausible biochemical mechanisms that molecules such as myosin-V could use to achieve motion. To account for the abundance of possible discrete-stochastic frameworks that can arise when modeling molecular motor walks, a generalized and straightforward graphical method for calculating their dynamic properties is presented. It allows the calculation of the velocity, dispersion, and randomness ratio for any proposed system through analysis of its structure. This article extends work of King and Altman ["A schematic method of deriving the rate laws of enzyme-catalyzed reactions," J. Phys. Chem. 60, 1375-1378 (1956)], 10.1021/j150544a010 on networks of enzymatic reactions by calculating additional dynamic properties for spatially hopping systems. Results for n-state systems are presented: single chain, parallel pathway, divided pathway, and divided pathway with a chain. A novel technique for combining multiple system architectures coupled at a reference state is also demonstrated. Four-state examples illustrate the effectiveness and simplicity of these methods.

  13. Theoretical Analysis of Dynamic Processes for Interacting Molecular Motors

    PubMed Central

    Teimouri, Hamid; Kolomeisky, Anatoly B.; Mehrabiani, Kareem

    2015-01-01

    Biological transport is supported by collective dynamics of enzymatic molecules that are called motor proteins or molecular motors. Experiments suggest that motor proteins interact locally via short-range potentials. We investigate the fundamental role of these interactions by analyzing a new class of totally asymmetric exclusion processes where interactions are accounted for in a thermodynamically consistent fashion. It allows us to connect explicitly microscopic features of motor proteins with their collective dynamic properties. Theoretical analysis that combines various mean-field calculations and computer simulations suggests that dynamic properties of molecular motors strongly depend on interactions, and correlations are stronger for interacting motor proteins. Surprisingly, it is found that there is an optimal strength of interactions (weak repulsion) that leads to a maximal particle flux. It is also argued that molecular motors transport is more sensitive to attractive interactions. Applications of these results for kinesin motor proteins are discussed. PMID:25688287

  14. Thermodynamics and kinetics of a molecular motor ensemble.

    PubMed

    Baker, J E; Thomas, D D

    2000-10-01

    If, contrary to conventional models of muscle, it is assumed that molecular forces equilibrate among rather than within molecular motors, an equation of state and an expression for energy output can be obtained for a near-equilibrium, coworking ensemble of molecular motors. These equations predict clear, testable relationships between motor structure, motor biochemistry, and ensemble motor function, and we discuss these relationships in the context of various experimental studies. In this model, net work by molecular motors is performed with the relaxation of a near-equilibrium intermediate step in a motor-catalyzed reaction. The free energy available for work is localized to this step, and the rate at which this free energy is transferred to work is accelerated by the free energy of a motor-catalyzed reaction. This thermodynamic model implicitly deals with a motile cell system as a dynamic network (not a rigid lattice) of molecular motors within which the mechanochemistry of one motor influences and is influenced by the mechanochemistry of other motors in the ensemble. PMID:11023881

  15. Thermodynamics and kinetics of a molecular motor ensemble.

    PubMed Central

    Baker, J E; Thomas, D D

    2000-01-01

    If, contrary to conventional models of muscle, it is assumed that molecular forces equilibrate among rather than within molecular motors, an equation of state and an expression for energy output can be obtained for a near-equilibrium, coworking ensemble of molecular motors. These equations predict clear, testable relationships between motor structure, motor biochemistry, and ensemble motor function, and we discuss these relationships in the context of various experimental studies. In this model, net work by molecular motors is performed with the relaxation of a near-equilibrium intermediate step in a motor-catalyzed reaction. The free energy available for work is localized to this step, and the rate at which this free energy is transferred to work is accelerated by the free energy of a motor-catalyzed reaction. This thermodynamic model implicitly deals with a motile cell system as a dynamic network (not a rigid lattice) of molecular motors within which the mechanochemistry of one motor influences and is influenced by the mechanochemistry of other motors in the ensemble. PMID:11023881

  16. Cytoskeleton Molecular Motors: Structures and Their Functions in Neuron

    PubMed Central

    Xiao, Qingpin; Hu, Xiaohui; Wei, Zhiyi; Tam, Kin Yip

    2016-01-01

    Cells make use of molecular motors to transport small molecules, macromolecules and cellular organelles to target region to execute biological functions, which is utmost important for polarized cells, such as neurons. In particular, cytoskeleton motors play fundamental roles in neuron polarization, extension, shape and neurotransmission. Cytoskeleton motors comprise of myosin, kinesin and cytoplasmic dynein. F-actin filaments act as myosin track, while kinesin and cytoplasmic dynein move on microtubules. Cytoskeleton motors work together to build a highly polarized and regulated system in neuronal cells via different molecular mechanisms and functional regulations. This review discusses the structures and working mechanisms of the cytoskeleton motors in neurons. PMID:27570482

  17. Finite element based electric motor design optimization

    NASA Technical Reports Server (NTRS)

    Campbell, C. Warren

    1993-01-01

    The purpose of this effort was to develop a finite element code for the analysis and design of permanent magnet electric motors. These motors would drive electromechanical actuators in advanced rocket engines. The actuators would control fuel valves and thrust vector control systems. Refurbishing the hydraulic systems of the Space Shuttle after each flight is costly and time consuming. Electromechanical actuators could replace hydraulics, improve system reliability, and reduce down time.

  18. Finite element based electric motor design optimization

    NASA Astrophysics Data System (ADS)

    Campbell, C. Warren

    1993-11-01

    The purpose of this effort was to develop a finite element code for the analysis and design of permanent magnet electric motors. These motors would drive electromechanical actuators in advanced rocket engines. The actuators would control fuel valves and thrust vector control systems. Refurbishing the hydraulic systems of the Space Shuttle after each flight is costly and time consuming. Electromechanical actuators could replace hydraulics, improve system reliability, and reduce down time.

  19. Energy Conversion by Molecular Motors Coupled to Nucleotide Hydrolysis

    NASA Astrophysics Data System (ADS)

    Lipowsky, Reinhard; Liepelt, Steffen; Valleriani, Angelo

    2009-06-01

    Recent theoretical work on the energy conversion by molecular motors coupled to nucleotide hydrolysis is reviewed. The most abundant nucleotide is provided by adenosine triphosphate (ATP) which is cleaved into adenosine diphosphate (ADP) and inorganic phosphate. The motors have several catalytic domains (or active sites), each of which can be empty or occupied by ATP or ADP. The chemical composition of all catalytic domains defines distinct nucleotide states of the motor which form a discrete state space. Each of these motor states is connected to several other states via chemical transitions. For stepping motors such as kinesin, which walk along cytoskeletal filaments, some motor states are also connected by mechanical transitions, during which the motor is displaced along the filament and able to perform mechanical work. The different motor states together with the possible chemical and mechanical transitions provide a network representation for the chemomechanical coupling of the motor molecule. The stochastic motor dynamics on these networks exhibits several distinct motor cycles, which represent the dominant pathways for different regimes of nucleotide concentrations and load force. For the kinesin motor, the competition of two such cycles determines the stall force, at which the motor velocity vanishes and the motor reverses its direction of motion. In general, kinesin is found to be governed by the competition of three distinct chemomechanical cycles. The corresponding network representation provides a unified description for all motor properties that have been determined by single molecule experiments.

  20. Optical Traps to Study Properties of Molecular Motors

    PubMed Central

    Spudich, James A.; Rice, Sarah E.; Rock, Ronald S.; Purcell, Thomas J.; Warrick, Hans M.

    2016-01-01

    In vitro motility assays enabled the analysis of coupling between ATP hydrolysis and movement of myosin along actin filaments or kinesin along microtubules. Single-molecule assays using laser trapping have been used to obtain more detailed information about kinesins, myosins, and processive DNA enzymes. The combination of in vitro motility assays with laser-trap measurements has revealed detailed dynamic structural changes associated with the ATPase cycle. This article describes the use of optical traps to study processive and nonprocessive molecular motor proteins, focusing on the design of the instrument and the assays to characterize motility. PMID:22046048

  1. Optical traps to study properties of molecular motors.

    PubMed

    Spudich, James A; Rice, Sarah E; Rock, Ronald S; Purcell, Thomas J; Warrick, Hans M

    2011-11-01

    In vitro motility assays enabled the analysis of coupling between ATP hydrolysis and movement of myosin along actin filaments or kinesin along microtubules. Single-molecule assays using laser trapping have been used to obtain more detailed information about kinesins, myosins, and processive DNA enzymes. The combination of in vitro motility assays with laser-trap measurements has revealed detailed dynamic structural changes associated with the ATPase cycle. This article describes the use of optical traps to study processive and nonprocessive molecular motor proteins, focusing on the design of the instrument and the assays to characterize motility.

  2. Improve Motor Operation at Off-Design Voltages - Motor Tip Sheet #9

    SciTech Connect

    2008-07-01

    Motors are designed to operate within +/- 10% of their nameplate rated voltages. When motors operate at conditions of over- or under-voltage, motor efficiency and other performance parameters are degraded.

  3. Design and characterization of piezoelectric ultrasonic motors

    NASA Astrophysics Data System (ADS)

    Yener, Serra

    This thesis presents modeling and prototype fabrication and characterization of new types of piezoelectric ultrasonic micromotors. Our approach in designing these piezoelectric motors was: (i) to simplify the structure including the poling configuration of piezoelectric elements used in the stator and (ii) to reduce the number of components in order to decrease the cost and enhance the driving reliability. There are two different types of piezoelectric motors designed throughout this research. The first of these designs consists of a metal tube, on which two piezoelectric ceramic plates poled in thickness direction, were bonded. Two orthogonal bending modes of the hollow cylinder were superimposed resulting in a rotational vibration. Since the structure and poling configuration of the active piezoelectric elements used in the stator are simple, this motor structure is very suitable for miniaturization. Moreover, a single driving source can excite two bending modes at the same time, thus generate a wobble motion. Three types of prototypes are included in this design. The piezoelectric stator structure is the same for all. However, the dimensions of the motors are reduced by almost 50 percent. Starting with a 10 mm long stator, we reached to 4 mm in the last prototype. The initial diameter was 2.4 mm, which was reduced to 1.6 mm. In the final design, the rotor part of the motor was changed resulting in the reduction in the number of components. In terms of driving circuit, a single driving source was enough to run the motors and a conventional switching power supply type resonant L-C circuit was used. A simple motor structure with a simple driving circuit were combined successfully and fabricated inexpensively. The second design is a shear type piezoelectric linear motor. The behavior of a single rectangular piezoelectric shear plate was analyzed and after optimizing the dimensions and the mode characteristics, a prototype was fabricated. The prototype consists of

  4. Physical mechanisms of biological molecular motors

    NASA Astrophysics Data System (ADS)

    Miller, John H., Jr.; Vajrala, Vijayanand; Infante, Hans L.; Claycomb, James R.; Palanisami, Akilan; Fang, Jie; Mercier, George T.

    2009-03-01

    Biological motors generally fall into two categories: (1) those that convert chemical into mechanical energy via hydrolysis of a nucleoside triphosphate, usually adenosine triphosphate, regarded as life's chemical currency of energy and (2) membrane bound motors driven directly by an ion gradient and/or membrane potential. Here we argue that electrostatic interactions play a vital role for both types of motors and, therefore, the tools of physics can greatly contribute to understanding biological motors.

  5. Motor Proteins and Molecular Motors: How to Operate Machines at Nanoscale

    PubMed Central

    Kolomeisky, Anatoly B.

    2013-01-01

    Several classes of biological molecules that transform chemical energy into mechanical work are known as motor proteins or molecular motors. These nanometer-sized machines operate in noisy stochastic isothermal environment, strongly supporting fundamental cellular processes such as transfer of genetic information, transport, organization and functioning. In last two decades motor proteins have become a subject of intense research efforts that were aimed to uncover fundamental principles and mechanisms of molecular motors dynamics. In this review, we critically discuss a recent progress in experimental and theoretical studies on motor proteins. Our focus is on analyzing fundamental concepts and ideas that have been utilized for explaining non-equilibrium nature and mechanisms of molecular motors. PMID:24100357

  6. Advanced Solid Rocket Motor case design status

    NASA Technical Reports Server (NTRS)

    Palmer, G. L.; Cash, S. F.; Beck, J. P.

    1993-01-01

    The Advanced Solid Rocket Motor (ASRM) case design aimed at achieving a safer and more reliable solid rocket motor for the Space Shuttle system is considered. The ASRM case has a 150.0 inch diameter, three equal length segment, and 9Ni-4CO-0.3C steel alloy. The major design features include bolted casebolted case joints which close during pressurization, plasma arc welded factory joints, integral stiffener for splash down and recovery, and integral External Tank attachment rings. Each mechanical joint has redundant and verifiable o-ring seals.

  7. Distinct Transport Regimes for Two Elastically Coupled Molecular Motors

    NASA Astrophysics Data System (ADS)

    Berger, Florian; Keller, Corina; Klumpp, Stefan; Lipowsky, Reinhard

    2012-05-01

    Cooperative cargo transport by two molecular motors involves an elastic motor-motor coupling, which can reduce the motors’ velocity and/or enhance their unbinding from the filament. We show theoretically that these interference effects lead, in general, to four distinct transport regimes. In addition to a weak coupling regime, kinesin and dynein motors are found to exhibit a strong coupling and an enhanced unbinding regime, whereas myosin motors are predicted to attain a reduced velocity regime. All of these regimes, which we derive by explicit calculations and general time scale arguments, can be explored experimentally by varying the elastic coupling strength.

  8. Understanding design fluency: motor and executive contributions.

    PubMed

    Suchy, Yana; Kraybill, Matthew L; Gidley Larson, Jennifer C

    2010-01-01

    Design Fluency (DF) is typically assumed to assess planning, cognitive flexibility, and fluency in generation of visual patterns, above and beyond contributions from motor speed (Delis, Kaplan, & Kramer, 2001; Ruff, 1998). The present study examined these assumptions, as little construct validation research has been done in the past. Sixty one community-dwelling elderly participants were administered the DF, Trail Making, and Letter Fluency tests from the Delis-Kaplan Executive Function System (D-KEFS), as well as electronically administered measures of motor planning and motor sequence fluency. Hierarchical regressions were used to parse out unique variance contributions to DF performance. The results showed that generation of novel designs (i.e., the first two trials on the D-KEFS DF) relied primarily on motor planning, the ability to generate novel motor actions, and, to a lesser extent, speed of drawing with a writing implement. In contrast, generation of unique designs while switching (i.e., the third trial on the D-KEFS DF) relied primarily on visual scanning and perhaps visual-attentional resources. These findings highlight the wisdom of interpreting the switching trial of the D-KEFS DF separately. Interestingly, cognitive flexibility did not contribute to performance on any of the three D-KEFS DF trials.

  9. Helicases as molecular motors: An insight

    NASA Astrophysics Data System (ADS)

    Tuteja, Narendra; Tuteja, Renu

    2006-12-01

    Helicases are one of the smallest motors of biological system, which harness the chemical free energy of ATP hydrolysis to catalyze the opening of energetically stable duplex nucleic acids and thereby are involved in almost all aspect of nucleic acid metabolism including replication, repair, recombination, transcription, translation, and ribosome biogenesis. Basically, they break the hydrogen bonding between the duplex helix and translocate unidirectionally along the bound strand. Mostly all the helicases contain some conserved signature motifs, which act as an engine to power the unwinding. After the discovery of the first prokaryotic DNA helicase from Escherichia coli bacteria in 1976 and the first eukaryotic one from the lily plant in 1978, many more (>100) have been isolated. All the helicases share some common properties, including nucleic acid binding, NTP hydrolysis and unwinding of the duplex. Many helicases have been crystallized and their structures have revealed an underlying common structural fold for their function. The defects in helicases gene have also been reported to be responsible for variety of human genetic disorders, which can lead to cancer, premature aging or mental retardation. Recently, a new role of a helicase in abiotic stress signaling in plant has been discovered. Overall, helicases act as essential molecular tools for cellular machinery and help in maintaining the integrity of genome. Here an overview of helicases has been covered which includes history, biochemical assay, properties, classification, role in human disease and mechanism of unwinding and translocation.

  10. Fluctuation theorem for the flashing ratchet model of molecular motors

    NASA Astrophysics Data System (ADS)

    Lacoste, D.; Mallick, K.

    2009-08-01

    Molecular motors convert chemical energy derived from the hydrolysis of adenosine triphosphate (ATP) into mechanical energy. A well-studied model of a molecular motor is the flashing ratchet model. We show that this model exhibits a fluctuation relation known as the Gallavotti-Cohen symmetry. Our study highlights the fact that the symmetry is present only if the chemical and mechanical degrees of freedom are both included in the description.

  11. How molecular motors shape the flagellar beat

    PubMed Central

    Riedel-Kruse, Ingmar H.; Hilfinger, Andreas; Howard, Jonathon; Jülicher, Frank

    2007-01-01

    Cilia and eukaryotic flagella are slender cellular appendages whose regular beating propels cells and microorganisms through aqueous media. The beat is an oscillating pattern of propagating bends generated by dynein motor proteins. A key open question is how the activity of the motors is coordinated in space and time. To elucidate the nature of this coordination we inferred the mechanical properties of the motors by analyzing the shape of beating sperm: Steadily beating bull sperm were imaged and their shapes were measured with high precision using a Fourier averaging technique. Comparing our experimental data with wave forms calculated for different scenarios of motor coordination we found that only the scenario of interdoublet sliding regulating motor activity gives rise to satisfactory fits. We propose that the microscopic origin of such “sliding control” is the load dependent detachment rate of motors. Agreement between observed and calculated wave forms was obtained only if significant sliding between microtubules occurred at the base. This suggests a novel mechanism by which changes in basal compliance could reverse the direction of beat propagation. We conclude that the flagellar beat patterns are determined by an interplay of the basal properties of the axoneme and the mechanical feedback of dynein motors. PMID:19404446

  12. Molecular motors: a traffic cop within?

    PubMed Central

    Welte, M. A.; Gross, S. P.

    2008-01-01

    Intracellular transport along microtubules is often bidirectional, employing multiple plus- and minus-end directed motors. How cells regulate such transport in time and space is a fundamental but unsolved question in cell biology. A recent paper presents a new modeling approach to predict how much of transport can be understood just from our knowledge of the motors involved. The model can generate strikingly complex patterns of motion, mimicking key aspects of cargo transport in vivo. Previous studies had inferred that plus-end motors on bidirectional cargoes are usually turned off when the minus-end motors are engaged (and vice versa). In the model, such motor coordination can arise from motors competing in a tug-of-war, without help from additional regulators. This new theoretical framework should stimulate much research that will help unravel whether regulation of intracellular transport is dominated by higher-order control mechanisms or is achieved simply by tuning basic properties of the motors themselves. PMID:19404428

  13. Molecular motor traffic: From biological nanomachines to macroscopic transport

    NASA Astrophysics Data System (ADS)

    Lipowsky, Reinhard; Chai, Yan; Klumpp, Stefan; Liepelt, Steffen; Müller, Melanie J. I.

    2006-12-01

    All cells of animals and plants contain complex transport systems based on molecular motors which walk along cytoskeletal filaments. These motors are rather small and have a size of 20-100 nm but are able to pull vesicles, organelles and other types of cargo over large distances, from micrometers up to meters. There are several families of motors: kinesins, dyneins, and myosins. Most of these motors have two heads which are used as legs and perform discrete steps along the filaments. Several aspects of the motor behavior will be discussed: motor cycles of two-headed motors; walks of single motors or cargo particles which consist of directed movements interrupted by random, diffusive motion; cargo transport through tube-like compartments; active diffusion of cargo particles in slab-like compartments; cooperative transport of cargo by several motors which may be uni- or bi-directional; and systems with many interacting motors that exhibit traffic jams, self-organized density and flux patterns, and traffic phase transitions far from equilibrium. It is necessary to understand these traffic phenomena in a quantitative manner in order to construct and optimize biomimetic transport systems based on motors and filaments with many possible applications in bioengineering, pharmacology, and medicine.

  14. REVIEW ARTICLE: The physics of biological molecular motors

    NASA Astrophysics Data System (ADS)

    Thomas, N.; Thornhill, R. A.

    1998-02-01

    Molecular motors are the fundamental agents of movement in living organisms. A prime example is the actomyosin motor that powers muscle contraction. We illustrate the remarkable physics of this motor using a simplified three-state model, in which a myosin cross-bridge attaches to an actin filament, tilts over and then detaches. This `cross-bridge cycle', driven by ATP hydrolysis, is similar to a thermodynamic cycle, except that the molecular system is stochastic. Random transitions in the cycle therefore produce tension fluctuations, which have recently been observed in single-molecule experiments. Furthermore, since the rate constants for attachment and tilting depend on the elastic energy in the cross-bridge spring, the molecular motor is a highly nonlinear mechanical system. A bias tension `stretch activates' the motor, and it then develops the remarkable property of `negative viscosity', which allows it to perform as a self-sustained mechanical oscillator. However, when a series of attachment sites is available, the motor operates instead as a ratchet, pulling the actin filament rapidly forwards against a light load, whilst a heavy load pulls the filament only very slowly in the opposite direction. Similar ideas may apply to the dynein-tubulin motor that powers cilia and flagella and the kinesin-tubulin motor used in intracellular transport.

  15. Molecular crowding creates traffic jams of kinesin motors on microtubules

    PubMed Central

    Leduc, Cécile; Padberg-Gehle, Kathrin; Varga, Vladimír; Helbing, Dirk; Diez, Stefan; Howard, Jonathon

    2012-01-01

    Despite the crowdedness of the interior of cells, microtubule-based motor proteins are able to deliver cargoes rapidly and reliably throughout the cytoplasm. We hypothesize that motor proteins may be adapted to operate in crowded environments by having molecular properties that prevent them from forming traffic jams. To test this hypothesis, we reconstituted high-density traffic of purified kinesin-8 motor protein, a highly processive motor with long end-residency time, along microtubules in a total internal-reflection fluorescence microscopy assay. We found that traffic jams, characterized by an abrupt increase in the density of motors with an associated abrupt decrease in motor speed, form even in the absence of other obstructing proteins. To determine the molecular properties that lead to jamming, we altered the concentration of motors, their processivity, and their rate of dissociation from microtubule ends. Traffic jams occurred when the motor density exceeded a critical value (density-induced jams) or when motor dissociation from the microtubule ends was so slow that it resulted in a pileup (bottleneck-induced jams). Through comparison of our experimental results with theoretical models and stochastic simulations, we characterized in detail under which conditions density- and bottleneck-induced traffic jams form or do not form. Our results indicate that transport kinesins, such as kinesin-1, may be evolutionarily adapted to avoid the formation of traffic jams by moving only with moderate processivity and dissociating rapidly from microtubule ends. PMID:22431622

  16. Cooperative behavior of molecular motors: Cargo transport and traffic phenomena

    NASA Astrophysics Data System (ADS)

    Lipowsky, Reinhard; Beeg, Janina; Dimova, Rumiana; Klumpp, Stefan; Müller, Melanie J. I.

    2010-01-01

    All eukaryotic cells including those of our own body contain complex transport systems based on molecular motors which walk along cytoskeletal filaments. These motors are rather small and make discrete mechanical steps with a step size of the order of 10 nm but are able to pull cargo particles over much larger distances, from micrometers up to meters. In vivo, the intracellular cargos include large membrane-bounded organelles, smaller vesicles, a subset of mRNAs, cytoskeletal filaments, and various protein building blocks, which are transported between different cell compartments. This cargo transport is usually performed by teams of motors. If all motors belong to the same molecular species, the cooperative action of the motors leads to uni-directional transport with a strongly increased run length and with a characteristic force dependence of the velocity distributions. If two antagonistic teams of motors pull on the same cargo particle, they perform a stochastic tug-of-war, which is characterized by a subtle force balance between the two motor teams and leads to several distinct patterns of bi-directional transport. So far, all experimental observations on bi-directional transport are consistent with such a tug-of-war. If many motors and/or cargo particles are transported along the filaments, one encounters various traffic phenomena. Depending on their mutual interactions and the compartment geometry, the motors form various spatio-temporal patterns such as traffic jams, and undergo nonequilibrium phase transitions between different patterns of transport.

  17. From the Cover: Cooperative extraction of membrane nanotubes by molecular motors

    NASA Astrophysics Data System (ADS)

    Leduc, Cécile; Campàs, Otger; Zeldovich, Konstantin B.; Roux, Aurélien; Jolimaitre, Pascale; Bourel-Bonnet, Line; Goud, Bruno; Joanny, Jean-François; Bassereau, Patricia; Prost, Jacques

    2004-12-01

    In eukaryotic cells, nanotubes represent a substantial fraction of transport intermediates between organelles. They are extracted from membranes by molecular motors walking along microtubules. We previously showed that kinesins fixed on giant unilamellar vesicles in contact with microtubules are sufficient to form nanotubes in vitro. Motors were attached to the membrane through beads, thus facilitating cooperative effects. Koster et al. [Koster, G., VanDuijn, M., Hofs, B. & Dogterom, M. (2003) Proc. Natl. Acad. Sci. USA 100, 15583-15588] proposed that motors could dynamically cluster at the tip of tubes when they are individually attached to the membrane. We demonstrate, in a recently designed experimental system, the existence of an accumulation of motors allowing tube extraction. We determine the motor density along a tube by using fluorescence intensity measurements. We also perform a theoretical analysis describing the dynamics of motors and tube growth. The only adjustable parameter is the motor binding rate onto microtubules, which we measure to be 4.7 ± 2.4 s-1. In addition, we quantitatively determine, for a given membrane tension, the existence of a threshold in motor density on the vesicle above which nanotubes can be formed. We find that the number of motors pulling a tube can range from four at threshold to a few tens away from it. The threshold in motor density (or in membrane tension at constant motor density) could be important for the understanding of membrane traffic regulation in cells. giant unilamellar vesicle | intracellular transport | kinesin | membrane tubule | traffic jam

  18. Design and implementation of spherical ultrasonic motor.

    PubMed

    Mashimo, Tomoaki; Toyama, Shigeki; Ishida, Hiroshi

    2009-11-01

    We present a mechanical design and implementation of spherical ultrasonic motor (SUSM) that is an actuator with multiple rotational degrees of freedom (multi-DOF). The motor is constructed of 3 annular stators and a spherical rotor and is much smaller and simpler than conventional multi-DOF mechanisms such as gimbals using servomotors. We designed a novel SUSM using experimental data from a single annular stator and a finite element method. The SUSM using a spherical rotor of diameter 20 mm without any reduction gear has demonstrated advantages of high responsiveness, good accuracy, and high torque at low speed. The dynamic implementation of SUSM was consistent with the driving model of SUSM based on a friction drive.

  19. Electro-magnetic free energy transduction by molecular motors

    NASA Astrophysics Data System (ADS)

    Yakovlev, V. V.

    2009-02-01

    It is generally accepted that molecular motors are utilizing the chemical energy of adenosine triphosphate (ATP) hydrolysis to convert it to the mechanical energy. A set of preliminary data demonstrates that the periodic electric field can induce transport as well, thus providing the energy to the molecular system.

  20. Engineering controllable bidirectional molecular motors based on myosin

    NASA Astrophysics Data System (ADS)

    Chen, Lu; Nakamura, Muneaki; Schindler, Tony D.; Parker, David; Bryant, Zev

    2012-04-01

    Cytoskeletal motors drive the transport of organelles and molecular cargoes within cells and have potential applications in molecular detection and diagnostic devices. Engineering molecular motors with controllable properties will allow selective perturbation of mechanical processes in living cells and provide optimized device components for tasks such as molecular sorting and directed assembly. Biological motors have previously been modified by introducing activation/deactivation switches that respond to metal ions and other signals. Here, we show that myosin motors can be engineered to reversibly change their direction of motion in response to a calcium signal. Building on previous protein engineering studies and guided by a structural model for the redirected power stroke of myosin VI, we have constructed bidirectional myosins through the rigid recombination of structural modules. The performance of the motors was confirmed using gliding filament assays and single fluorophore tracking. Our strategy, in which external signals trigger changes in the geometry and mechanics of myosin lever arms, should make it possible to achieve spatiotemporal control over a range of motor properties including processivity, stride size and branchpoint turning.

  1. Automating the search of molecular motor templates by evolutionary methods.

    PubMed

    Fernández, Jose D; Vico, Francisco J

    2011-11-01

    Biological molecular motors are nanoscale devices capable of transforming chemical energy into mechanical work, which are being researched in many scientific disciplines. From a computational point of view, the characteristics and dynamics of these motors are studied at multiple time scales, ranging from very detailed and complex molecular dynamics simulations spanning a few microseconds, to extremely simple and coarse-grained theoretical models of their working cycles. However, this research is performed only in the (relatively few) instances known from molecular biology. In this work, results from elastic network analysis and behaviour-finding methods are applied to explore a subset of the configuration space of template molecular structures that are able to transform chemical energy into directed movement, for a fixed instance of working cycle. While using methods based on elastic networks limits the scope of our results, it enables the implementation of computationally lightweight methods, in a way that evolutionary search techniques can be applied to discover novel molecular motor templates. The results show that molecular motion can be attained from a variety of structural configurations, when a functional working cycle is provided. Additionally, these methods enable a new computational way to test hypotheses about molecular motors.

  2. Energetics and efficiency of a molecular motor model

    NASA Astrophysics Data System (ADS)

    Fogedby, Hans C.; Svane, Axel

    2013-12-01

    The energetics and efficiency of a linear molecular motor model proposed by Mogilner et al are analyzed from an analytical point of view. The model, which is based on protein friction with a track, is described by coupled Langevin equations for the motion in combination with coupled master equations for the ATP hydrolysis. Here the energetics and efficiency of the motor are addressed using a many body scheme with focus on the efficiency at maximum power (EMP). It is found that the EMP is reduced from about 10% in a heuristic description of the motor to about 1 per mille when incorporating the full motor dynamics, owing to the strong dissipation associated with the motor action.

  3. Molecular motors are stymied by microtubule lattice defects

    NASA Astrophysics Data System (ADS)

    Gramlich, Michael

    2014-03-01

    The microtubule surface provides the tracks that molecular motors use to transport cargo throughout the cell. Much like any surface lattice, the microtubule surface may have surface defects such as dislocations or step edges caused by missing tubulin dimers or shifts in the number of protofilaments, respectively. It is an open question as to how microtubule lattice defects affect molecular motors walking along microtubule surfaces. We used the kinesin-1 motor that walks along a single protofilament and has a short step size of only 8 nm to test how lattice defects affect transport. We created microtubule lattice defects by end-to-end annealing microtubules with different protofilament numbers and differential fluorescence labeling, creating a transition in microtubule radius at the annealed site that is directly visualizable. Surprisingly, we observed that kinesin-1 motors are significantly inhibited by protofilament shift defects. GFP-tagged kinesin-1 motors detach at the defect site during at least 70% of encounters with the defect. We find end-to-end annealed microtubules without the additional change in protofilament number at the defect site inhibit at least 50% of kinesin-1 motors at the defect, suggesting that the process of end-to-end annealing creates defects within the lattice. Our results imply that defects within the microtubule lattice can inhibit motility, and must be corrected. Our work sheds light on the biological importance of removing and correcting lattice defects, an activity known to occur by multiple methods in cells.

  4. Control of rotor motion in a light-driven molecular motor: towards a molecular gearbox.

    PubMed

    Ter Wiel, Matthijs K J; van Delden, Richard A; Meetsma, Auke; Feringa, Ben L

    2005-11-21

    Controlled intramolecular movement and coupling of motor and rotor functions is exerted by this new molecular device. The rate of rotation of the rotor part of the molecule can be adjusted by alteration of the conformation of the motor part of the molecule. For all states of the motor part, different rates of rotation were measured for the rotor part. Conversion between the four propeller orientations was achieved by irradiation and heating.

  5. Debris control design achievements of the booster separation motors

    NASA Technical Reports Server (NTRS)

    Smith, G. W.; Chase, C. A.

    1985-01-01

    The stringent debris control requirements imposed on the design of the Space Shuttle booster separation motor are described along with the verification program implemented to ensure compliance with debris control objectives. The principal areas emphasized in the design and development of the Booster Separation Motor (BSM) relative to debris control were the propellant formulation and nozzle closures which protect the motors from aerodynamic heating and moisture. A description of the motor design requirements, the propellant formulation and verification program, and the nozzle closures design and verification are presented.

  6. Time-dependent motor properties of multipedal molecular spiders

    NASA Astrophysics Data System (ADS)

    Samii, Laleh; Blab, Gerhard A.; Bromley, Elizabeth H. C.; Linke, Heiner; Curmi, Paul M. G.; Zuckermann, Martin J.; Forde, Nancy R.

    2011-09-01

    Molecular spiders are synthetic biomolecular walkers that use the asymmetry resulting from cleavage of their tracks to bias the direction of their stepping motion. Using Monte Carlo simulations that implement the Gillespie algorithm, we investigate the dependence of the biased motion of molecular spiders, along with binding time and processivity, on tunable experimental parameters, such as number of legs, span between the legs, and unbinding rate of a leg from a substrate site. We find that an increase in the number of legs increases the spiders’ processivity and binding time but not their mean velocity. However, we can increase the mean velocity of spiders with simultaneous tuning of the span and the unbinding rate of a spider leg from a substrate site. To study the efficiency of molecular spiders, we introduce a time-dependent expression for the thermodynamic efficiency of a molecular motor, allowing us to account for the behavior of spider populations as a function of time. Based on this definition, we find that spiders exhibit transient motor function over time scales of many hours and have a maximum efficiency on the order of 1%, weak compared to other types of molecular motors.

  7. Myosin-I molecular motors at a glance.

    PubMed

    McIntosh, Betsy B; Ostap, E Michael

    2016-07-15

    Myosin-I molecular motors are proposed to play various cellular roles related to membrane dynamics and trafficking. In this Cell Science at a Glance article and the accompanying poster, we review and illustrate the proposed cellular functions of metazoan myosin-I molecular motors by examining the structural, biochemical, mechanical and cell biological evidence for their proposed molecular roles. We highlight evidence for the roles of myosin-I isoforms in regulating membrane tension and actin architecture, powering plasma membrane and organelle deformation, participating in membrane trafficking, and functioning as a tension-sensitive dock or tether. Collectively, myosin-I motors have been implicated in increasingly complex cellular phenomena, yet how a single isoform accomplishes multiple types of molecular functions is still an active area of investigation. To fully understand the underlying physiology, it is now essential to piece together different approaches of biological investigation. This article will appeal to investigators who study immunology, metabolic diseases, endosomal trafficking, cell motility, cancer and kidney disease, and to those who are interested in how cellular membranes are coupled to the underlying actin cytoskeleton in a variety of different applications. PMID:27401928

  8. Biased motion and molecular motor properties of bipedal spiders

    NASA Astrophysics Data System (ADS)

    Samii, Laleh; Linke, Heiner; Zuckermann, Martin J.; Forde, Nancy R.

    2010-02-01

    Molecular spiders are synthetic molecular motors featuring multiple legs that each can interact with a substrate through binding and cleavage. Experimental studies suggest the motion of the spider in a matrix is biased toward uncleaved substrates and that spider properties such as processivity can be altered by changing the binding strength of the legs to substrate [R. Pei, S. K. Taylor, D. Stefanovic, S. Rudchenko, T. E. Mitchell, and M. N. Stojanovic, J. Am. Chem. Soc. 128, 12693 (2006)]. We investigate the origin of biased motion and molecular motor properties of bipedal spiders using Monte Carlo simulations. Our simulations combine a realistic chemical kinetic model, hand-over-hand or inchworm modes of stepping, and the use of a one-dimensional track. We find that stronger binding to substrate, cleavage and spider detachment from the track are contributing mechanisms to population bias. We investigate the contributions of stepping mechanism to speed, randomness parameter, processivity, coupling, and efficiency, and comment on how these molecular motor properties can be altered by changing experimentally tunable kinetic parameters.

  9. ATOMIC AND MOLECULAR PHYSICS: Modelling of a DNA packaging motor

    NASA Astrophysics Data System (ADS)

    Qian, Jun; Xie, Ping; Xue, Xiao-Guang; Wang, Peng-Ye

    2009-11-01

    During the assembly of many viruses, a powerful molecular motor packages the genome into a preassembled capsid. The Bacillus subtilis phage phi29 is an excellent model system to investigate the DNA packaging mechanism because of its highly efficient in vitro DNA packaging activity and the development of a single-molecule packaging assay. Here we make use of structural and biochemical experimental data to build a physical model of DNA packaging by the phi29 DNA packaging motor. Based on the model, various dynamic behaviours such as the packaging rate, pause frequency and slip frequency under different ATP concentrations, ADP concentrations, external loads as well as capsid fillings are studied by using Monte Carlo simulation. Good agreement is obtained between the simulated and available experimental results. Moreover, we make testable predictions that should guide future experiments related to motor function.

  10. A finite element code for electric motor design

    NASA Technical Reports Server (NTRS)

    Campbell, C. Warren

    1994-01-01

    FEMOT is a finite element program for solving the nonlinear magnetostatic problem. This version uses nonlinear, Newton first order elements. The code can be used for electric motor design and analysis. FEMOT can be embedded within an optimization code that will vary nodal coordinates to optimize the motor design. The output from FEMOT can be used to determine motor back EMF, torque, cogging, and magnet saturation. It will run on a PC and will be available to anyone who wants to use it.

  11. Design of an asynchronous electrostatic motor

    NASA Astrophysics Data System (ADS)

    Kobayasi, Syoyu

    1990-02-01

    An asynchronous electrostatic motor that works under a high-voltage pulse controller using LED-phototransistor photosensors is described. The motor produced the torque 1030-dyn-cm at 1500 V and attained the power 0.8 mW at 80 rpm in n-hexane.

  12. Optimal brushless DC motor design using genetic algorithms

    NASA Astrophysics Data System (ADS)

    Rahideh, A.; Korakianitis, T.; Ruiz, P.; Keeble, T.; Rothman, M. T.

    2010-11-01

    This paper presents a method for the optimal design of a slotless permanent magnet brushless DC (BLDC) motor with surface mounted magnets using a genetic algorithm. Characteristics of the motor are expressed as functions of motor geometries. The objective function is a combination of losses, volume and cost to be minimized simultaneously. Electrical and mechanical requirements (i.e. voltage, torque and speed) and other limitations (e.g. upper and lower limits of the motor geometries) are cast into constraints of the optimization problem. One sample case is used to illustrate the design and optimization technique.

  13. Rotary molecular motion at the nanoscale: motors, propellers, wheels

    NASA Astrophysics Data System (ADS)

    Vukovic, Lela; Wang, Boyang; Kral, Petr

    2009-03-01

    We describe by molecular dynamics simulations nanoscale systems that could realize rotary motion. First, we study molecular propellers formed by carbon nanotube rotors with attached aromatic blades [1]. We show that these propellers could pump different types of liquids, and their pumping efficiency strongly depends on the chemistry of the (hydrophobic or hydrophilic) liquid-blade interface. We also investigate nanoscopic wheels with hydrophobic surfaces that show rolling activity on water when driven. Finally, we model efficient molecular motors driven by electron tunneling, which could drive rotary molecular systems [2]. [3pt] [1] B. Wang and P. Kr'al, . Rev. Lett. 98, 266102 (2007).[0pt] [2] B. Wang, L. Vukovic and P. Kr'al, Phys. Rev. Lett. 101, 186808 (2008).

  14. Molecular beacon sequence design algorithm.

    PubMed

    Monroe, W Todd; Haselton, Frederick R

    2003-01-01

    A method based on Web-based tools is presented to design optimally functioning molecular beacons. Molecular beacons, fluorogenic hybridization probes, are a powerful tool for the rapid and specific detection of a particular nucleic acid sequence. However, their synthesis costs can be considerable. Since molecular beacon performance is based on its sequence, it is imperative to rationally design an optimal sequence before synthesis. The algorithm presented here uses simple Microsoft Excel formulas and macros to rank candidate sequences. This analysis is carried out using mfold structural predictions along with other free Web-based tools. For smaller laboratories where molecular beacons are not the focus of research, the public domain algorithm described here may be usefully employed to aid in molecular beacon design.

  15. Chemical and thermal modulation of molecular motor activities

    NASA Astrophysics Data System (ADS)

    Hong, Weili

    Molecular motors of kinesin and dynein families are responsible for various intracellular activities, from long distance movement of organelles, vesicles, protein complexes, and mRNAs to powering mitotic processes. They can take nanometer steps using chemical energy from the hydrolysis of ATP (adenosine triphosphate), and their dysfunction is involved in many neurodegenerative diseases that require long distance transport of cargos. Here I report on the study of the properties of molecular motors at a single-molecule level using optical trappings. I first studied the inhibition properties of kinesin motors by marine natural compound adociasulfates. I showed that adociasulfates compete with microtubules for binding to kinesins and thus inhibit kinesins' activity. Although adociasulfates are a strong inhibitor for all kinesin members, they show a much higher inhibition effect for conventional kinesins than for mitotic kinesins. Thus adociasulfates can be used to specifically inhibit conventional kinesins. By comparing the inhibition of kinesins by two structurally similar adociasulfates, one can see that the negatively charged sulfate residue of adociasulfates can be replaced by other negative residues and thus make it possible for adociasulfate-derived compounds to be more cell permeable. Kinesins and dyneins move cargos towards opposite directions along a microtubule. Cargos with both kinesins and dyneins attached often move bidirectionally due to undergoing a tug-of-war between the oppositely moving kinesin and dynein motors. Here I studied the effect of temperature on microtubule-based kinesin and dynein motor transport. While kinesins' and dyneins' velocities are closely matched above 15 °C, below this temperature the dyneins' velocity decreases much faster than the kinesins'. The kinesins' and dyneins' forces do not measurably change with temperature. The results suggest that temperature has significant effects on bidirectional transport and can be used to

  16. Microtubules and associated molecular motors in Neurospora crassa.

    PubMed

    Mouriño-Pérez, Rosa Reyna; Riquelme, Meritxell; Callejas-Negrete, Olga Alicia; Galván-Mendoza, José Iván

    2016-01-01

    The cytoskeleton provides structure, shape and movement to various cells. Microtubules (MTs) are tubular structures made of α and β-tubulin heterodimers organized in 13 protofilaments, forming a hollow cylinder. A vast group of MT-associated proteins determines the function, behavior and interaction of the MTs with other cellular components. Among these proteins, molecular motors such as the dynein-dynactin complex and kinesin superfamily play roles in MT organization and organelle transport. This article focuses on the MT cytoskeleton and associated molecular motors in the filamentous fungus Neurospora crassa In addition to reviewing current available information for this fungus and contrasting it with knowledge of other fungal species, we present new experimental results that support the role of dynein, dynactin and conventional kinesin in MT organization, dynamics and transport of subcellular structures (nuclei and secretory vesicles). In wild type hyphae of N. crassa, cytoplasmic MTs are arranged longitudinally along hyphae and display a helical curvature. They interlace with one another to form a network throughout the cytoplasm. N. crassa dynein and dynactin mutants have a scant and disorganized MT cytoskeleton, an erratic and reduced Spitzenkörper (Spk) and distorted hyphal morphology. In contrast, hyphae of mutants with defective conventional kinesin exhibit only minor disruptions in MT and Spk organization. Although nuclear positioning is affected in all mutants, the MT-associated motor proteins are not major contributors to nuclear movement during hyphal growth. Cytoplasmic bulk flow is the vehicle for nuclear displacement in growing hyphal regions of N. crassa Motors are involved in nuclei saltatory movements in both retrograde or anterograde direction. In the dynein and kinesin mutants, micro and macrovesicles can reach the Spk, although growth is slightly impaired and the Spk displays an erratic path. Hyphal growth requires MTs, and their associated

  17. Macroscopic contraction of a gel induced by the integrated motion of light-driven molecular motors

    NASA Astrophysics Data System (ADS)

    Li, Quan; Fuks, Gad; Moulin, Emilie; Maaloum, Mounir; Rawiso, Michel; Kulic, Igor; Foy, Justin T.; Giuseppone, Nicolas

    2015-02-01

    Making molecular machines that can be useful in the macroscopic world is a challenging long-term goal of nanoscience. Inspired by the protein machinery found in biological systems, and based on the theoretical understanding of the physics of motion at the nanoscale, organic chemists have developed a number of molecules that can produce work by contraction or rotation when triggered by various external chemical or physical stimuli. In particular, basic molecular switches that commute between at least two thermodynamic minima and more advanced molecular motors that behave as dissipative units working far from equilibrium when fuelled with external energy have been reported. However, despite recent progress, the ultimate challenge of coordinating individual molecular motors in a continuous mechanical process that can have a measurable effect at the macroscale has remained elusive. Here, we show that by integrating light-driven unidirectional molecular rotors as reticulating units in a polymer gel, it is possible to amplify their individual motions to achieve macroscopic contraction of the material. Our system uses the incoming light to operate under far-from-equilibrium conditions, and the work produced by the motor in the photostationary state is used to twist the entangled polymer chains up to the collapse of the gel. Our design could be a starting point to integrate nanomotors in metastable materials to store energy and eventually to convert it.

  18. Design of a Gated Molecular Proton Channel

    SciTech Connect

    Gu, Wei; Zhou, Bo; Geyer, Tihamer; Hutter, Michael C.; Fang, Haiping; Helms, Volkhard H.

    2011-01-17

    The generation of an electrochemical pH gradient across biological membranes using energy from photosynthesis and respiration provides the universal driving force in cells for the production of adenosine triphosphate (ATP), the energy unit of life. Creating such an electrochemical potential requires the transportation of protons against a thermodynamic gradient. In biological proton pumps, chemical energy is used to induce protein conformational changes during each catalytic cycle where one or a few protons are pumped against a proton concentration gradient across the membrane. On the other hand, membrane channels also exist that mediate continuous particle exchange and may be switched between open and closed states. Being able to design nanochannels with similar functions would be of great importance for creating novel molecular devices with a wide range of applications such as molecular motors, fuel cells, rechargeable nanobatteries that provide energy to other nanomachines, and the generation of locally and temporally controlled pH jumps on microfluidic chips.

  19. Design and characteristics of a high-precision chopper wheel motor driver

    SciTech Connect

    Gu Xibin; Guo Ying; Chan, Henry; Kawamura, Ed; Kaiser, Ralf I.

    2005-11-15

    The circuit diagram and design principles of a high-stability chopper wheel motor driver are presented. Experimental results show that this unit can be interfaced to molecular-beam machines to generate supersonic beams with extremely stable root-mean-square and peak velocities fluctuating on a day-to-day basis by less than 0.2%.

  20. Relation between cooperative molecular motors and active Brownian particles.

    PubMed

    Touya, Clément; Schwalger, Tilo; Lindner, Benjamin

    2011-05-01

    Active Brownian particles (ABPs), obeying a nonlinear Langevin equation with speed-dependent drift and noise amplitude, are well-known models used to describe self-propelled motion in biology. In this paper we study a model describing the stochastic dynamics of a group of coupled molecular motors (CMMs). Using two independent numerical methods, one based on the stationary velocity distribution of the motors and the other one on the local increments (also known as the Kramers-Moyal coefficients) of the velocity, we establish a connection between the CMM and the ABP models. The parameters extracted for the ABP via the two methods show good agreement for both symmetric and asymmetric cases and are independent of N, the number of motors, provided that N is not too small. This indicates that one can indeed describe the CMM problem with a simpler ABP model. However, the power spectrum of velocity fluctuations in the CMM model reveals a peak at a finite frequency, a peak which is absent in the velocity spectrum of the ABP model. This implies richer dynamic features of the CMM model which cannot be captured by an ABP model.

  1. Actin-based motility propelled by molecular motors

    NASA Astrophysics Data System (ADS)

    Upadyayula, Sai Pramod; Rangarajan, Murali

    2012-09-01

    Actin-based motility of Listeria monocytogenes propelled by filament end-tracking molecular motors has been simulated. Such systems may act as potential nanoscale actuators and shuttles useful in sorting and sensing biomolecules. Filaments are modeled as three-dimensional elastic springs distributed on one end of the capsule and persistently attached to the motile bacterial surface through an end-tracking motor complex. Filament distribution is random, and monomer concentration decreases linearly as a function of position on the bacterial surface. Filament growth rate increases with monomer concentration but decreases with the extent of compression. The growing filaments exert push-pull forces on the bacterial surface. In addition to forces, torques arise due to two factors—distribution of motors on the bacterial surface, and coupling of torsion upon growth due to the right-handed helicity of F-actin—causing the motile object to undergo simultaneous translation and rotation. The trajectory of the bacterium is simulated by performing a force and torque balance on the bacterium. All simulations use a fixed value of torsion. Simulations show strong alignment of the filaments and the long axis of the bacterium along the direction of motion. In the absence of torsion, the bacterial surface essentially moves along the direction of the long axis. When a small amount of the torsion is applied to the bacterial surface, the bacterium is seen to move in right-handed helical trajectories, consistent with experimental observations.

  2. Computationally Designed Molecularly Imprinted Materials

    NASA Astrophysics Data System (ADS)

    Pavel, Dumitru; Lagowski, Jolanta; Faid, Karim

    2004-03-01

    Molecular dynamics simulations were carried out for different molecular systems in order to predict the binding affinities, binding energies, binding distances and the active site groups between the simulated molecular systems and different bio-ligands (theophylline and its derivatives), which have been designed and minimized using molecular simulation techniques. The first simulated molecular systems consisted of a ligand and functional monomer, such as methacrylic acid and its derivatives. For each pair of molecular systems, (10 monomers with a ligand and 10 monomers without a ligand) a total energy difference was calculated in order to estimate the binding energy between a ligand and the corresponding monomers. The analysis of the simulated functional monomers with ligands indicates that the functional group of monomers interacting with ligands tends to be either COOH or CH2=CH. The distances between the ligand and monomer, in the most stable cases as indicated above, are between 2.0-4.5 Å. The second simulated molecular systems consisted of a ligand and a polymer. The polymers were obtained from monomers that were simulated above. And similar to monomer study, for each pair of molecular systems, (polymer with a ligand and polymer without a ligand) a total energy difference was calculated in order to estimate the binding energy between ligand and the corresponding polymer. The binding distance between the active site of a polymer and a ligand will also be discussed.

  3. Molecular design of allergy vaccines.

    PubMed

    Linhart, Birgit; Valenta, Rudolf

    2005-12-01

    Recombinant-allergen-based diagnostic tests enable the dissection and monitoring of the molecular reactivity profiles of allergic patients, resulting in more specific diagnosis, disease monitoring, prevention and therapy. In vitro experiments, animal studies and clinical trials in patients demonstrate that allergenic molecules can be engineered to induce different immune responses ranging from tolerance to vigorous immunity. The available data thus suggest that molecular engineering of the disease-related antigens is a technology that may be applicable not only for the design of allergy vaccines but also for the design of vaccines against infectious diseases, autoimmunity and cancer.

  4. Towards artificial molecular motor-based electroactive/photoactive biomimetic muscles

    NASA Astrophysics Data System (ADS)

    Huang, Tony Jun

    2007-04-01

    Artificial molecular motors have recently attracted considerable interest from the nanoscience and nanoengineering community. These molecular-scale systems utilize a 'bottom-up' technology centered around the design and manipulation of molecular assemblies, and are potentially capable of delivering efficient actuations at dramatically reduced length scales when compared to traditional microscale actuators. When stimulated by light, electricity, or chemical reagents, a group of artificial molecular motors called bistable rotaxanes - which are composed of mutually recognizable and intercommunicating ring and dumbbell-shaped components - experience relative internal motions of their components just like the moving parts of macroscopic machines. Bistable rotaxanes' ability to precisely and cooperatively control mechanical motions at the molecular level reveals the potential of engineering systems that operate with the same elegance, efficiency, and complexity as biological motors function within the human body. We are in a process of developing a new class of bistable rotaxane-based electroactive/photoactive biomimetic muscles with unprecedented performance (strain: 40-60%, operating frequency: up to 1 MHz, energy density: ~50 J/cm 3, multi-stimuli: chemical, electricity, light). As a substantial step towards this longterm objective, we have proven, for the first time, that rotaxanes are mechanically switchable in condensed phases on solid substrates. We have further developed a rotaxane-powered microcantilever actuator utilizing an integrated approach that combines "bottom-up" assembly of molecular functionality with "top-down" micro/nano fabrication. By harnessing the nanoscale mechanical motion from artificial molecular machines and eliciting a nanomechanical response in a microscale device, this system mimics natural skeletal muscle and provides a key component for the development of nanoelectromechanical system (NEMS).

  5. A motor canister designed for prolonged operation in space

    NASA Technical Reports Server (NTRS)

    Wells, A.

    1971-01-01

    A special canister was designed to protest the dc motors used on the ISIS 1 antenna unit. The canister is provided with a pressure-monitoring device and has a special shaft seal that imparts minimum load to the motor output shaft. The development and flight testing of the canister are discussed. Problems that were encountered during fabrication and inspection and the problems caused by material/lubricant incompatibility and low temperature are also discussed.

  6. Design of a Mode Conversion Ultrasonic Motor for Position Control

    NASA Technical Reports Server (NTRS)

    LeLetty, Ronan; Bouchilloux, Philippe; Claeyssen, Frank; Lhermet, Nicolas

    1996-01-01

    The many useful characteristics of ultrasonic motors, such as high holding torques, and high torque at low speeds, have made them the subject of increasing interest. In addition, several of their characteristics make them attractive for aerospace applications: they have a torque to weight ratio, and they require neither gearing mechanisms nor lubrication. Moreover, they create negligible magnetic fields, and conversely, they are not affected by external magnetic fields. Ultrasonic motors based on bolt-tightened structures offer simplicity and high stress capability. They use the inverse piezoelectric effect in the stator to produce vibrational energy, which is transferred to the rotor by friction. We designed a bolt-tightened ultrasonic motor using numerical modelling tools (finite element and electromechanical circuit analyses), creating an equivalent circuit model that takes into account the electromechanical energy conversion in the stator and the contact between the stator and the rotor. Analysis of the circuit gives insight into the behavior of the motor and allows its performance to be calculated. Two prototypes of the motor were built; their transient responses and other quantities, such as starting torque, were measured. In this paper, we discuss the numerical and the experimental results, and demonstrate the usefulness of numerical analysis in designing ultrasonic motors and estimating their performance.

  7. Report on Toyota/Prius Motor Design and Manufacturing Assessment

    SciTech Connect

    Hsu, J.S.

    2004-07-28

    In today's hybrid vehicle market the Toyota Prius drive system is currently considered the leader in electrical, mechanical, and manufacturing innovations. It is significant that in today's marketplace Toyota is able to manufacture and sell the vehicle for a profit. This project's objective is to analyze and study the Prius drive system to understand the design and manufacturing mechanisms Toyota utilized to achieved their performance and cost goals. During the course of this research effort ORNL has dissected both the 2003 and 2004 Toyota/Prius drive motors. This study is focused primarily on motor design considerations and an assessment of manufacturing issues.

  8. External forces influence the elastic coupling effects during cargo transport by molecular motors.

    PubMed

    Berger, Florian; Keller, Corina; Klumpp, Stefan; Lipowsky, Reinhard

    2015-02-01

    Cellular transport is achieved by the cooperative action of molecular motors which are elastically linked to a common cargo. When the motors pull on the cargo at the same time, they experience fluctuating elastic strain forces induced by the stepping of the other motors. These elastic coupling forces can influence the motors' stepping and unbinding behavior and thereby the ability to transport cargos. Based on a generic single motor description, we introduce a framework that explains the response of two identical molecular motors to a constant external force. In particular, we relate the single motor parameters, the coupling strength and the external load force to the dynamics of the motor pair. We derive four distinct transport regimes and determine how the crossover lines between the regimes depend on the load force. Our description of the overall cargo dynamics takes into account relaxational displacements of the cargo caused by the unbinding of one motor. For large forces and weak elastic coupling these back-shifts dominate the displacements. To develop an intuitive understanding about motor cooperativity during cargo transport, we introduce a time scale for load sharing. This time scale allows us to predict how the regulation of single motor parameters influences the cooperativity. As an example, we show that up-regulating the single motor processivity enhances load sharing of the motor pair.

  9. Design of High Power Electrostatic Motor and Generator Using Electrets

    NASA Astrophysics Data System (ADS)

    Genda, Takashi; Tanaka, Shuji; Esashi, Masayoshi

    This paper describes the design of an electrostatic motor/generator using electrets and its circuit. By using electrets which generate permanent electric field on a rotor, higher power than that of conventional types is expected. We revealed that the maximum power is obtained from the motor/generator when the ratio of the gap to the width of electrodes is optimized at 0.6. And we estimated that 30.4 W output is obtained from the motor/generator with a 6mm diameter rotor at a rotational speed of 1 Mrpm by applying 200 V to 3 µm electrode gap. To use this output, however, a circuit which escapes loss due to charging/discharging cycle of a parasitic capacitance at the stator electrode is essential. We designed a novel circuit using inductor-capacitor (LC) resonance, and confirmed that over 80% of theoretically-ideal output is available using this circuit.

  10. Intra-cellular traffic: bio-molecular motors on filamentary tracks

    NASA Astrophysics Data System (ADS)

    Chowdhury, D.; Basu, A.; Garai, A.; Greulich, P.; Nishinari, K.; Schadschneider, A.; Tripathi, T.

    2008-08-01

    Molecular motors are macromolecular complexes which use some form of input energy to perform mechanical work. The filamentary tracks, on which these motors move, are made of either proteins (e.g., microtubules) or nucleic acids (DNA or RNA). Often, many such motors move simultaneously on the same track and their collective properties have superficial similarities with vehicular traffic on highways. The models we have developed provide "unified" description: in the low-density limit, a model captures the transport properties of a single motor while, at higher densities the same model accounts for the collective spatio-temporal organization of interacting motors. By drawing analogy with vehicular traffic, we have introduced novel quantities for characterizing the nature of the spatio-temporal organization of molecular motors on their tracks. We show how the traffic-like intracellular collective phenomena depend on the mechano-chemistry of the corresponding individual motors.

  11. Simulation studies of self-organization of microtubules and molecular motors.

    SciTech Connect

    Jian, Z.; Karpeev, D.; Aranson, I. S.; Bates, P. W.; Michigan State Univ.

    2008-05-01

    We perform Monte Carlo type simulation studies of self-organization of microtubules interacting with molecular motors. We model microtubules as stiff polar rods of equal length exhibiting anisotropic diffusion in the plane. The molecular motors are implicitly introduced by specifying certain probabilistic collision rules resulting in realignment of the rods. This approximation of the complicated microtubule-motor interaction by a simple instant collision allows us to bypass the 'computational bottlenecks' associated with the details of the diffusion and the dynamics of motors and the reorientation of microtubules. Consequently, we are able to perform simulations of large ensembles of microtubules and motors on a very large time scale. This simple model reproduces all important phenomenology observed in in vitro experiments: Formation of vortices for low motor density and raylike asters and bundles for higher motor density.

  12. Simulation studies of self-organization of microtubules and molecular motors

    NASA Astrophysics Data System (ADS)

    Jia, Zhiyuan; Karpeev, Dmitry; Aranson, Igor S.; Bates, Peter W.

    2008-05-01

    We perform Monte Carlo type simulation studies of self-organization of microtubules interacting with molecular motors. We model microtubules as stiff polar rods of equal length exhibiting anisotropic diffusion in the plane. The molecular motors are implicitly introduced by specifying certain probabilistic collision rules resulting in realignment of the rods. This approximation of the complicated microtubule-motor interaction by a simple instant collision allows us to bypass the “computational bottlenecks” associated with the details of the diffusion and the dynamics of motors and the reorientation of microtubules. Consequently, we are able to perform simulations of large ensembles of microtubules and motors on a very large time scale. This simple model reproduces all important phenomenology observed in in vitro experiments: Formation of vortices for low motor density and raylike asters and bundles for higher motor density.

  13. Design and synthesis of mono-molecular machines

    NASA Astrophysics Data System (ADS)

    Rapenne, G.; Launay, J. P.; Joachim, C.

    2006-08-01

    A mono-molecular machine is a molecule designed to perform a function providing energy, data and/or orders to the molecule. A 'monumentalization' approach (the synthesis of very large molecules) is used to synthesize technomimetic molecules, i.e. molecules able to transpose macroscopic objects and their motions at the molecular level, and grants access to the study of the mechanical properties of a single molecule. This paper focuses on the mechanical molecular machines developed in our group which are controlled one at a time by the tip of a scanning tunnelling microscope, like the molecular wheelbarrow and the molecular gear, or in the future by an atomic force microscope, as in the case of the molecular motor.

  14. Motor Mania: Revving Up for Technological Design

    ERIC Educational Resources Information Center

    Frazier, Wendy M.; Sterling, Donna R.

    2008-01-01

    Students get very excited when confronted with problems that they find meaningful. Problem-based learning lets students solve problems using the strategies and tools that scientists use. While developing solutions via technological design and construction, students experience firsthand the relationship between science and technology. To capture…

  15. Computer-assisted design in perceptual-motor skills research

    NASA Technical Reports Server (NTRS)

    Rogers, C. A., Jr.

    1974-01-01

    A categorization was made of independent variables previously found to be potent in simple perceptual-motor tasks. A computer was then used to generate hypothetical factorial designs. These were evaluated in terms of literature trends and pragmatic criteria. Potential side-effects of machine-assisted research strategy were discussed.

  16. Design and optimization of a modal- independent linear ultrasonic motor.

    PubMed

    Zhou, Shengli; Yao, Zhiyuan

    2014-03-01

    To simplify the design of the linear ultrasonic motor (LUSM) and improve its output performance, a method of modal decoupling for LUSMs is proposed in this paper. The specific embodiment of this method is decoupling of the traditional LUSM stator's complex vibration into two simple vibrations, with each vibration implemented by one vibrator. Because the two vibrators are designed independently, their frequencies can be tuned independently and frequency consistency is easy to achieve. Thus, the method can simplify the design of the LUSM. Based on this method, a prototype modal- independent LUSM is designed and fabricated. The motor reaches its maximum thrust force of 47 N, maximum unloaded speed of 0.43 m/s, and maximum power of 7.85 W at applied voltage of 200 Vpp. The motor's structure is then optimized by controlling the difference between the two vibrators' resonance frequencies to reach larger output speed, thrust, and power. The optimized results show that when the frequency difference is 73 Hz, the output force, speed, and power reach their maximum values. At the input voltage of 200 Vpp, the motor reaches its maximum thrust force of 64.2 N, maximum unloaded speed of 0.76 m/s, maximum power of 17.4 W, maximum thrust-weight ratio of 23.7, and maximum efficiency of 39.6%.

  17. Superspreading: mechanisms and molecular design.

    PubMed

    Theodorakis, Panagiotis E; Müller, Erich A; Craster, Richard V; Matar, Omar K

    2015-03-01

    The intriguing ability of certain surfactant molecules to drive the superspreading of liquids to complete wetting on hydrophobic substrates is central to numerous applications that range from coating flow technology to enhanced oil recovery. Despite significant experimental efforts, the precise mechanisms underlying superspreading remain unknown to date. Here, we isolate these mechanisms by analyzing coarse-grained molecular dynamics simulations of surfactant molecules of varying molecular architecture and substrate affinity. We observe that for superspreading to occur, two key conditions must be simultaneously satisfied: the adsorption of surfactants from the liquid-vapor surface onto the three-phase contact line augmented by local bilayer formation. Crucially, this must be coordinated with the rapid replenishment of liquid-vapor and solid-liquid interfaces with surfactants from the interior of the droplet. This article also highlights and explores the differences between superspreading and conventional surfactants, paving the way for the design of molecular architectures tailored specifically for applications that rely on the control of wetting.

  18. The stochastic model of F1-ATPase molecular motor functioning

    NASA Astrophysics Data System (ADS)

    Pogrebnaya, Aleksandra F.; Romanovsky, Yury M.; Tikhonov, Aleksander N.

    2004-05-01

    This work is devoted to the study of the energy characteristics of the F1ATPase-substrate complex. The results of calculations of the electrostatic energy in the enzyme-substrate complex are presented in the first part. In calculations, we take into account the electrostatic interactions between the charged groups of the substrate (MgATP) and reaction products (MgADP and Pi) and charged amino acid residues of the α3β3γ complex that correspond to various conformations of the enzyme. The hydrolysis of ATP in the catalytic site leads to coordinated conformational changes in α, β subunits and to ordered rotation of γ subunit located in the center of F1ATPase complex. The calculations show that the energetically favorable process involving MgATP binding at the catalytic site in the "open" conformation initiates γ subunit rotation followed by the hydrolysis in the other (tight) catalytic site. In the second part, we propose the simplest stochastic model describing the ordered rotation of γ subunit (the rotor of F1-ATPase molecular motor). In the model we take into account the electrostatic interaction using the results of the previous calculations. We employ experimentally obtained dynamic parameters. The model takes into account the thermal fluctuations of the bath and the random processes of the substrate binding and the escape of the reaction products.

  19. Solid propellant processing factor in rocket motor design

    NASA Technical Reports Server (NTRS)

    1971-01-01

    The ways are described by which propellant processing is affected by choices made in designing rocket engines. Tradeoff studies, design proof or scaleup studies, and special design features are presented that are required to obtain high product quality, and optimum processing costs. Processing is considered to include the operational steps involved with the lining and preparation of the motor case for the grain; the procurement of propellant raw materials; and propellant mixing, casting or extrusion, curing, machining, and finishing. The design criteria, recommended practices, and propellant formulations are included.

  20. A chemically powered unidirectional rotary molecular motor based on a palladium redox cycle

    NASA Astrophysics Data System (ADS)

    Collins, Beatrice S. L.; Kistemaker, Jos C. M.; Otten, Edwin; Feringa, Ben L.

    2016-09-01

    The conversion of chemical energy to drive directional motion at the molecular level allows biological systems, ranging from subcellular components to whole organisms, to perform a myriad of dynamic functions and respond to changes in the environment. Directional movement has been demonstrated in artificial molecular systems, but the fundamental motif of unidirectional rotary motion along a single-bond rotary axle induced by metal-catalysed transformation of chemical fuels has not been realized, and the challenge is to couple the metal-centred redox processes to stepwise changes in conformation to arrive at a full unidirectional rotary cycle. Here, we present the design of an organopalladium-based motor and the experimental demonstration of a 360° unidirectional rotary cycle using simple chemical fuels. Exploiting fundamental reactivity principles in organometallic chemistry enables control of directional rotation and offers the potential of harnessing the wealth of opportunities offered by transition-metal-based catalytic conversions to drive motion and dynamic functions.

  1. Design and Development of Molecular Imaging Probes

    PubMed Central

    Chen, Kai; Chen, Xiaoyuan

    2013-01-01

    Molecular imaging, the visualization, characterization and measurement of biological processes at the cellular, subcellular level, or even molecular level in living subjects, has rapidly gained importance in the dawning era of personalized medicine. Molecular imaging takes advantage of the traditional diagnostic imaging techniques and introduces molecular imaging probes to determine the expression of indicative molecular markers at different stages of diseases and disorders. As a key component of molecular imaging, molecular imaging probe must be able to specifically reach the target of interest in vivo while retaining long enough to be detected. A desirable molecular imaging probe with clinical translation potential is expected to have unique characteristics. Therefore, design and development of molecular imaging probe is frequently a challenging endeavor for medicinal chemists. This review summarizes the general principles of molecular imaging probe design and some fundamental strategies of molecular imaging probe development with a number of illustrative examples. PMID:20388106

  2. Chemomechanical Coupling of Molecular Motors: Thermodynamics, Network Representations, and Balance Conditions

    NASA Astrophysics Data System (ADS)

    Lipowsky, Reinhard; Liepelt, Steffen

    2008-01-01

    Molecular motors are considered that convert the chemical energy released from the hydrolysis of adenosine triphosphate (ATP) into mechanical work. Such a motor represents a small system that is coupled to a heat reservoir, a work reservoir, and particle reservoirs for ATP, adenosine diphosphate (ADP), and inorganic phosphate (P). The discrete state space of the motor is defined in terms of the chemical composition of its catalytic domains. Each motor state represents an ensemble of molecular conformations that are thermally equilibrated. The motor states together with the possible transitions between neighboring states define a network representation of the motor. The motor dynamics is described by a continuous-time Markov process (or master equation) on this network. The consistency between thermodynamics and network dynamics implies (i) local and nonlocal balance conditions for the transition rates of the motor and (ii) an underlying landscape of internal energies for the motor states. The local balance conditions can be interpreted in terms of constrained equilibria between neighboring motor states; the nonlocal balance conditions pinpoint chemical and/or mechanical nonequilibrium.

  3. Block 2 Solid Rocket Motor (SRM) conceptual design study, volume 1

    NASA Technical Reports Server (NTRS)

    1986-01-01

    Segmented and monolithic Solid Rocket Motor (SRM) design concepts were evaluated with emphasis on joints and seals. Particular attention was directed to eliminating deficiencies in the SRM High Performance Motor (HPM). The selected conceptual design is described and discussed.

  4. Design and construction of the lawnmower, an artificial burnt-bridges motor.

    PubMed

    Kovacic, Suzana; Samii, Laleh; Curmi, Paul M G; Linke, Heiner; Zuckermann, Martin J; Forde, Nancy R

    2015-04-01

    Molecular motors of the cell are protein-based, nanoscale machines, which use a variety of strategies to transduce chemical energy into mechanical work in the presence of a large thermal background. The design and construction of artificial molecular motors is one approach to better understand their basic physical principles. Here, we propose the concept of a protein-based, burnt-bridges ratchet, inspired by biological examples. Our concept, the lawnmower, utilizes protease blades to cleave peptide substrates, and uses the asymmetric substrate-product interface arising from productive cleavage to bias subsequent diffusion on the track (lawn). Following experimental screening to select a protease to act as the motor's blades, we chemically couple trypsin to quantum dots and demonstrate activity of the resulting lawnmower construct in solution. Accompanying Brownian dynamics simulations illustrate the importance for processivity of correct protease density on the quantum dot and spacing of substrates on the track. These results lay the groundwork for future tests of the protein-based lawnmower's motor performance characteristics.

  5. Friction drive of an SAW motor. Part V: design criteria.

    PubMed

    Shigematsu, Takashi; Kurosawa, Minoru Kuribayashi

    2008-10-01

    Design criteria for the stable and durable operation of a surface acoustic wave (SAW) motor are discussed. The low electric conductivity and pyroelectricity of the lithium niobate (LN) stator used in the motor hindered the motor's stability. We demonstrated that the use of LN whose conductivity had been enhanced by chemical reduction counteracted the instability caused by contact electrification and meniscus adhesion. The severe failure of the stator surface limits the durability of the SAW motor. Owing to the chemical inertness of LN, the surface failure of the stator was caused by mechanical stresses resulting from the indentation and sliding of the projections placed at the slider surface. The as-fabricated sharp edges of the projections are the obvious cause of failure. Thus, if the projections are necessary, a procedure in which the edges are worn off before operation is the only feasible method to correct this problem. Nevertheless, the optimum geometry to prevent surface failure was deduced as flat plane. The flat plane geometry was useful if the contact pressure is sufficiently large to diminish the effect of the layer of squeezed air between the surfaces. PMID:18986876

  6. Enhanced Diffusion of Molecular Motors in the Presence of Adenosine Triphosphate and External Force

    NASA Astrophysics Data System (ADS)

    Shinagawa, Ryota; Sasaki, Kazuo

    2016-06-01

    The diffusion of a molecular motor in the presence of a constant external force is considered on the basis of a simple theoretical model. The motor is represented by a Brownian particle moving in a series of parabolic potentials placed periodically on a line, and the potential is switched stochastically from one parabola to another by a chemical reaction, which corresponds to the hydrolysis or synthesis of adenosine triphosphate (ATP) in motor proteins. It is found that the diffusion coefficient as a function of the force exhibits peaks. The mechanism of this diffusion enhancement and the possibility of observing it in F1-ATPase, a biological rotary motor, are discussed.

  7. Kinetic mechanism of DNA translocation by the RSC molecular motor.

    PubMed

    Eastlund, Allen; Malik, Shuja Shafi; Fischer, Christopher J

    2013-04-15

    ATP-dependent nucleosome repositioning by chromatin remodeling enzymes requires the translocation of these enzymes along the nucleosomal DNA. Using a fluorescence stopped-flow assay we monitored DNA translocation by a minimal RSC motor and through global analysis of these time courses we have determined that this motor has a macroscopic translocation rate of 2.9 bp/s with a step size of 1.24 bp. From the complementary quantitative analysis of the associated time courses of ATP consumption during DNA translocation we have determined that this motor has an efficiency of 3.0 ATP/bp, which is slightly less that the efficiency observed for several genetically related DNA helicases and which likely results from random pausing by the motor during translocation. Nevertheless, this motor is able to exert enough force during translocation to displace streptavidin from biotinylated DNA. Taken together these results are the necessary first step for quantifying both the role of DNA translocation in nucleosome repositioning by RSC and the efficiency at which RSC couples ATP binding and hydrolysis to nucleosome repositioning.

  8. Pattern Formations in Polymer-Molecular Motor Networks

    NASA Astrophysics Data System (ADS)

    Smith, David; Humphrey, David; Duggan, Cynthia; Käs, Josef

    2001-03-01

    In previous studies with the microtubule-kinesin system, organized patterns such as asters and rotating vortices have been seen (Nedelec et al, Nature 1997), which were of a dynamic nature and dependent on active motors. A similar system was constructed using actin and myosin, which displays similar patterns, however, with drastically different dynamics. These patterns arise independent of the initial amount of immediate use energy (in the form of ATP), assembling only upon the near exhaustion of available ATP. Further studies have clearly shown that in fact these patterns are not dependent upon the motor activity of the myosin but its propensity to serve as a cross-linking element in an actin network, with the motor activity serving to prevent the arising of order in the system. We believe the dynamic differences inherent between the two polymer-motor systems studied lies primarily in the structural nature of the motor complexes, with the kinesin complex ordering the system by pushing multiple filaments in a parallel direction, and the myosin complexes disordering the system by pushing filaments in an antiparallel manner.

  9. Design of a molecular beacon PNA.

    PubMed

    Kitagawa, Fumihiko; Ohori, Youji; Ikeda, Hisafumi; Fujimori, Humihiro; Murakami, Yasuhumi; Nakamura, Yushin

    2002-01-01

    We have designed a novel dual-labeled PNA oligomer, having both a fluorescent dye and a quencher, by utilizing key compounds 1 and 2. We showed that the designed dual-labeled PNA oligomer works as a molecular beacon PNA. We also investigated the optimization of a stem-loop structure which can supersensitize the function as a molecular beacon PNA.

  10. Intrinsic irreversibility limits the efficiency of multidimensional molecular motors.

    PubMed

    Jack, M W; Tumlin, C

    2016-05-01

    We consider the efficiency limits of Brownian motors able to extract work from the temperature difference between reservoirs or from external thermodynamic forces. These systems can operate in a variety of modes, including as isothermal engines, heat engines, refrigerators, and heat pumps. We derive analytical results showing that certain classes of multidimensional Brownian motor, including the Smoluchowski-Feynman ratchet, are unable to attain perfect efficiency (Carnot efficiency for heat engines). This demonstrates the presence of intrinsic irreversibilities in their operating mechanism. We present numerical simulations showing that in some cases the loss process that limits efficiency is associated with vortices in the probability current.

  11. Intrinsic irreversibility limits the efficiency of multidimensional molecular motors

    NASA Astrophysics Data System (ADS)

    Jack, M. W.; Tumlin, C.

    2016-05-01

    We consider the efficiency limits of Brownian motors able to extract work from the temperature difference between reservoirs or from external thermodynamic forces. These systems can operate in a variety of modes, including as isothermal engines, heat engines, refrigerators, and heat pumps. We derive analytical results showing that certain classes of multidimensional Brownian motor, including the Smoluchowski-Feynman ratchet, are unable to attain perfect efficiency (Carnot efficiency for heat engines). This demonstrates the presence of intrinsic irreversibilities in their operating mechanism. We present numerical simulations showing that in some cases the loss process that limits efficiency is associated with vortices in the probability current.

  12. Intrinsic irreversibility limits the efficiency of multidimensional molecular motors.

    PubMed

    Jack, M W; Tumlin, C

    2016-05-01

    We consider the efficiency limits of Brownian motors able to extract work from the temperature difference between reservoirs or from external thermodynamic forces. These systems can operate in a variety of modes, including as isothermal engines, heat engines, refrigerators, and heat pumps. We derive analytical results showing that certain classes of multidimensional Brownian motor, including the Smoluchowski-Feynman ratchet, are unable to attain perfect efficiency (Carnot efficiency for heat engines). This demonstrates the presence of intrinsic irreversibilities in their operating mechanism. We present numerical simulations showing that in some cases the loss process that limits efficiency is associated with vortices in the probability current. PMID:27300832

  13. Design, Modeling and Performance Optimization of a Novel Rotary Piezoelectric Motor

    NASA Technical Reports Server (NTRS)

    Duong, Khanh A.; Garcia, Ephrahim

    1997-01-01

    This work has demonstrated a proof of concept for a torsional inchworm type motor. The prototype motor has shown that piezoelectric stack actuators can be used for rotary inchworm motor. The discrete linear motion of piezoelectric stacks can be converted into rotary stepping motion. The stacks with its high force and displacement output are suitable actuators for use in piezoelectric motor. The designed motor is capable of delivering high torque and speed. Critical issues involving the design and operation of piezoelectric motors were studied. The tolerance between the contact shoes and the rotor has proved to be very critical to the performance of the motor. Based on the prototype motor, a waveform optimization scheme was proposed and implemented to improve the performance of the motor. The motor was successfully modeled in MATLAB. The model closely represents the behavior of the prototype motor. Using the motor model, the input waveforms were successfully optimized to improve the performance of the motor in term of speed, torque, power and precision. These optimized waveforms drastically improve the speed of the motor at different frequencies and loading conditions experimentally. The optimized waveforms also increase the level of precision of the motor. The use of the optimized waveform is a break-away from the traditional use of sinusoidal and square waves as the driving signals. This waveform optimization scheme can be applied to any inchworm motors to improve their performance. The prototype motor in this dissertation as a proof of concept was designed to be robust and large. Future motor can be designed much smaller and more efficient with lessons learned from the prototype motor.

  14. Ultra high resolution stepper motors design, development, performance and application

    NASA Technical Reports Server (NTRS)

    Moll, H.; Roeckl, G.

    1979-01-01

    The design and development of stepper motors with steps in the 10 arc sec to 2 arc min range is described. Some of the problem areas, e.g. rotor suspension, tribology aspects and environmental conditions are covered. A summary of achieved test results and the employment in different mechanisms already developed and tested is presented to give some examples of the possible use of this interesting device. Adaptations to military and commercial requirements are proposed and show the wide range of possible applications.

  15. A molecular brake, not a clutch, stops the Rhodobacter sphaeroides flagellar motor

    PubMed Central

    Pilizota, Teuta; Brown, Mostyn T.; Leake, Mark C.; Branch, Richard W.; Berry, Richard M.; Armitage, Judith P.

    2009-01-01

    Many bacterial species swim by employing ion-driven molecular motors that power the rotation of helical filaments. Signals are transmitted to the motor from the external environment via the chemotaxis pathway. In bidirectional motors, the binding of phosphorylated CheY (CheY-P) to the motor is presumed to instigate conformational changes that result in a different rotor-stator interface, resulting in rotation in the alternative direction. Controlling when this switch occurs enables bacteria to accumulate in areas favorable for their survival. Unlike most species that swim with bidirectional motors, Rhodobacter sphaeroides employs a single stop-start flagellar motor. Here, we asked, how does the binding of CheY-P stop the motor in R. sphaeroides—using a clutch or a brake? By applying external force with viscous flow or optical tweezers, we show that the R. sphaeroides motor is stopped using a brake. The motor stops at 27–28 discrete angles, locked in place by a relatively high torque, approximately 2–3 times its stall torque. PMID:19571004

  16. How molecular motors work in the crowded environment of living cells: coexistence and efficiency of normal and anomalous transport.

    PubMed

    Goychuk, Igor; Kharchenko, Vasyl O; Metzler, Ralf

    2014-01-01

    Recent experiments reveal both passive subdiffusion of various nanoparticles and anomalous active transport of such particles by molecular motors in the molecularly crowded environment of living biological cells. Passive and active microrheology reveals that the origin of this anomalous dynamics is due to the viscoelasticity of the intracellular fluid. How do molecular motors perform in such a highly viscous, dissipative environment? Can we explain the observed co-existence of the anomalous transport of relatively large particles of 100 to 500 nm in size by kinesin motors with the normal transport of smaller particles by the same molecular motors? What is the efficiency of molecular motors in the anomalous transport regime? Here we answer these seemingly conflicting questions and consistently explain experimental findings in a generalization of the well-known continuous diffusion model for molecular motors with two conformational states in which viscoelastic effects are included.

  17. Interplay between crosslinkers and dynamic molecular motor-induced instabilities in the moderation of biopolymer organization

    NASA Astrophysics Data System (ADS)

    Smith, David; Humphrey, David; Ziebert, Falko; Zimmermann, Walter; Käs, Josef

    2006-03-01

    Structure and function of biological cells rely on the highly-dynamic self-organization of protein filaments to an intracellular cytoskeleton responsive to mechanical and chemical stimuli. While dissolving these complex cellular structures through Brownian motion is inherently slow (tens of minutes), changes in the activity of the molecular motor myosin II cause rapid order-disorder transitions within 1-2 minutes in reconstituted cytoskeletal actin networks. When motor-induced filament sliding decreases, actin network structure rapidly and reversibly self-organizes into various assemblies triggered by a nonlinear instability. Modulation of static crosslinker concentrations allow for a wide phase space of order ranging from nematics to compact asters & dense packing of motor-filament clusters. The observed isothermal transitions between disorder and self-organization illustrate that molecular motors can substantially contribute to dynamic cellular organization.

  18. Solid rocket motor conceptual design - The development of a design optimization expert system with a hypertext user interface

    NASA Astrophysics Data System (ADS)

    Clegern, James B.

    1993-06-01

    Solid rocket motor (SRM) design prototypes can be rapidly formulated and evaluated by the use of advanced computer-based methodologies that apply expert system and artificial intelligence software to the SRM design optimization processes. The research program that was carried out, and is reported in this paper, was to formulate a computer-based SRM expert system for motor design and optimization, with the assistance of a hypertext software algorithm that provides a user-friendly interface. With this interface for parameter input, the design engineer can quickly obtain rocket motor designs that satisfy the performance mission of the SRM, as well as meet criteria for optimized (minimum) motor mass. The computer-based software has been designated as the Solid Rocket Motor Conceptual Design Optimization System (SRMCDOS). The main purpose of this SRM design system is to aid the SRM design engineer in making the best initial design selections and thereby reducing the overall 'design cycle time' of a project.

  19. Influence of molecular motors on the motion of particles in viscoelastic media.

    PubMed

    Bouzat, Sebastián

    2014-06-01

    We study theoretically and by numerical simulations the motion of particles driven by molecular motors in a viscoelastic medium representing the cell cytoplasm. For this, we consider a generalized Langevin equation coupled to a stochastic stepping dynamics for the motors that takes into account the action of each motor separately. In the absence of motors, the model produces subdiffusive motion of particles characterized by a power-law scaling of the mean square displacement versus the lag time as t^{α}, with 0<α<1, similar to that observed in cells. Our results show how the action of the motors can induce a transition to a superdiffusive regime at large lag times with the characteristics of those found in experiments reported in the literature. We also show that at small lag times, the motors can act as static crosslinkers that slow down the natural subdiffusive transport. An analysis of previously reported experimental data in the relevant time scales provides evidence of this phenomenon. Finally, we study the effect of a harmonic potential representing an optical trap, and we show a way to approach to a macroscopic description of the active transport in cells. This last point stresses the relevance of the molecular motors for generating not only directed motion to specific targets, but also fast diffusivelike random motion.

  20. Stepping and Crowding of Molecular Motors: Statistical Kinetics from an Exclusion Process Perspective

    PubMed Central

    Ciandrini, Luca; Romano, M. Carmen; Parmeggiani, Andrea

    2014-01-01

    Motor enzymes are remarkable molecular machines that use the energy derived from the hydrolysis of a nucleoside triphosphate to generate mechanical movement, achieved through different steps that constitute their kinetic cycle. These macromolecules, nowadays investigated with advanced experimental techniques to unveil their molecular mechanisms and the properties of their kinetic cycles, are implicated in many biological processes, ranging from biopolymerization (e.g., RNA polymerases and ribosomes) to intracellular transport (motor proteins such as kinesins or dyneins). Although the kinetics of individual motors is well studied on both theoretical and experimental grounds, the repercussions of their stepping cycle on the collective dynamics still remains unclear. Advances in this direction will improve our comprehension of transport process in the natural intracellular medium, where processive motor enzymes might operate in crowded conditions. In this work, we therefore extend contemporary statistical kinetic analysis to study collective transport phenomena of motors in terms of lattice gas models belonging to the exclusion process class. Via numerical simulations, we show how to interpret and use the randomness calculated from single particle trajectories in crowded conditions. Importantly, we also show that time fluctuations and non-Poissonian behavior are intrinsically related to spatial correlations and the emergence of large, but finite, clusters of comoving motors. The properties unveiled by our analysis have important biological implications on the collective transport characteristics of processive motor enzymes in crowded conditions. PMID:25185553

  1. Stepping and crowding of molecular motors: statistical kinetics from an exclusion process perspective.

    PubMed

    Ciandrini, Luca; Romano, M Carmen; Parmeggiani, Andrea

    2014-09-01

    Motor enzymes are remarkable molecular machines that use the energy derived from the hydrolysis of a nucleoside triphosphate to generate mechanical movement, achieved through different steps that constitute their kinetic cycle. These macromolecules, nowadays investigated with advanced experimental techniques to unveil their molecular mechanisms and the properties of their kinetic cycles, are implicated in many biological processes, ranging from biopolymerization (e.g., RNA polymerases and ribosomes) to intracellular transport (motor proteins such as kinesins or dyneins). Although the kinetics of individual motors is well studied on both theoretical and experimental grounds, the repercussions of their stepping cycle on the collective dynamics still remains unclear. Advances in this direction will improve our comprehension of transport process in the natural intracellular medium, where processive motor enzymes might operate in crowded conditions. In this work, we therefore extend contemporary statistical kinetic analysis to study collective transport phenomena of motors in terms of lattice gas models belonging to the exclusion process class. Via numerical simulations, we show how to interpret and use the randomness calculated from single particle trajectories in crowded conditions. Importantly, we also show that time fluctuations and non-Poissonian behavior are intrinsically related to spatial correlations and the emergence of large, but finite, clusters of comoving motors. The properties unveiled by our analysis have important biological implications on the collective transport characteristics of processive motor enzymes in crowded conditions.

  2. Self-organization of waves and pulse trains by molecular motors in cellular protrusions

    PubMed Central

    Yochelis, A.; Ebrahim, S.; Millis, B.; Cui, R.; Kachar, B.; Naoz, M.; Gov, N. S.

    2015-01-01

    Actin-based cellular protrusions are an ubiquitous feature of cells, performing a variety of critical functions ranging from cell-cell communication to cell motility. The formation and maintenance of these protrusions relies on the transport of proteins via myosin motors, to the protrusion tip. While tip-directed motion leads to accumulation of motors (and their molecular cargo) at the protrusion tip, it is observed that motors also form rearward moving, periodic and isolated aggregates. The origins and mechanisms of these aggregates, and whether they are important for the recycling of motors, remain open puzzles. Motivated by novel myosin-XV experiments, a mass conserving reaction-diffusion-advection model is proposed. The model incorporates a non-linear cooperative interaction between motors, which converts them between an active and an inactive state. Specifically, the type of aggregate formed (traveling waves or pulse-trains) is linked to the kinetics of motors at the protrusion tip which is introduced by a boundary condition. These pattern selection mechanisms are found not only to qualitatively agree with empirical observations but open new vistas to the transport phenomena by molecular motors in general. PMID:26335545

  3. Influence of molecular motors on the motion of particles in viscoelastic media.

    PubMed

    Bouzat, Sebastián

    2014-06-01

    We study theoretically and by numerical simulations the motion of particles driven by molecular motors in a viscoelastic medium representing the cell cytoplasm. For this, we consider a generalized Langevin equation coupled to a stochastic stepping dynamics for the motors that takes into account the action of each motor separately. In the absence of motors, the model produces subdiffusive motion of particles characterized by a power-law scaling of the mean square displacement versus the lag time as t^{α}, with 0<α<1, similar to that observed in cells. Our results show how the action of the motors can induce a transition to a superdiffusive regime at large lag times with the characteristics of those found in experiments reported in the literature. We also show that at small lag times, the motors can act as static crosslinkers that slow down the natural subdiffusive transport. An analysis of previously reported experimental data in the relevant time scales provides evidence of this phenomenon. Finally, we study the effect of a harmonic potential representing an optical trap, and we show a way to approach to a macroscopic description of the active transport in cells. This last point stresses the relevance of the molecular motors for generating not only directed motion to specific targets, but also fast diffusivelike random motion. PMID:25019814

  4. Self-organization of waves and pulse trains by molecular motors in cellular protrusions.

    PubMed

    Yochelis, A; Ebrahim, S; Millis, B; Cui, R; Kachar, B; Naoz, M; Gov, N S

    2015-01-01

    Actin-based cellular protrusions are an ubiquitous feature of cells, performing a variety of critical functions ranging from cell-cell communication to cell motility. The formation and maintenance of these protrusions relies on the transport of proteins via myosin motors, to the protrusion tip. While tip-directed motion leads to accumulation of motors (and their molecular cargo) at the protrusion tip, it is observed that motors also form rearward moving, periodic and isolated aggregates. The origins and mechanisms of these aggregates, and whether they are important for the recycling of motors, remain open puzzles. Motivated by novel myosin-XV experiments, a mass conserving reaction-diffusion-advection model is proposed. The model incorporates a non-linear cooperative interaction between motors, which converts them between an active and an inactive state. Specifically, the type of aggregate formed (traveling waves or pulse-trains) is linked to the kinetics of motors at the protrusion tip which is introduced by a boundary condition. These pattern selection mechanisms are found not only to qualitatively agree with empirical observations but open new vistas to the transport phenomena by molecular motors in general. PMID:26335545

  5. Reversing the direction in a light-driven rotary molecular motor

    NASA Astrophysics Data System (ADS)

    Ruangsupapichat, Nopporn; Pollard, Michael M.; Harutyunyan, Syuzanna R.; Feringa, Ben L.

    2011-01-01

    Biological rotary motors can alter their mechanical function by changing the direction of rotary motion. Achieving a similar reversal of direction of rotation in artificial molecular motors presents a fundamental stereochemical challenge: how to change from clockwise to anticlockwise motion without compromising the autonomous unidirectional rotary behaviour of the system. A new molecular motor with multilevel control of rotary motion is reported here, in which the direction of light-powered rotation can be reversed by base-catalysed epimerization. The key steps are deprotonation and reprotonation of the photochemically generated less-stable isomers during the 360° unidirectional rotary cycle, with complete inversion of the configuration at the stereogenic centre. The ability to change directionality is an essential step towards mechanical molecular systems with adaptive functional behaviour.

  6. Ultra-fast force-clamp laser trapping of single molecular motors and DNA binding proteins

    NASA Astrophysics Data System (ADS)

    Capitanio, Marco; Monico, Carina; Vanzi, Francesco; Pavone, Francesco S.

    2013-09-01

    Forces play a fundamental role in a wide array of biological processes, regulating enzymatic activity, kinetics of molecular bonds, and molecular motors mechanics. Single molecule force spectroscopy techniques have enabled the investigation of such processes, but they are inadequate to probe short-lived (millisecond and sub-millisecond) molecular complexes. We developed an ultrafast force-clamp spectroscopy technique that uses a dual trap configuration to apply constant loads to a single intermittently interacting biological polymer and a binding protein. Our system displays a delay of only ˜10 μs between formation of the molecular bond and application of the force and is capable of detecting interactions as short as 100 μs. The force-clamp configuration in which our assay operates allows direct measurements of load-dependence of lifetimes of single molecular bonds. Moreover, conformational changes of single proteins and molecular motors can be recorded with sub-nanometer accuracy and few tens of microseconds of temporal resolution. We demonstrate our technique on molecular motors, using myosin II from fast skeletal muscle and on protein-DNA interaction, specifically on Lactose repressor (LacI). The apparatus is stabilized to less than 1 nm with both passive and active stabilization, allowing resolving specific binding regions along the actin filament and DNA molecule. Our technique extends single-molecule force-clamp spectroscopy to molecular complexes that have been inaccessible up to now, opening new perspectives for the investigation of the effects of forces on biological processes.

  7. Molecular motors that digest their track to rectify Brownian motion: processive movement of exonuclease enzymes.

    PubMed

    Xie, Ping

    2009-09-16

    A general model is presented for the processive movement of molecular motors such as λ-exonuclease, RecJ and exonuclease I that use digestion of a DNA track to rectify Brownian motion along this track. Using this model, the translocation dynamics of these molecular motors is studied. The sequence-dependent pausing of λ-exonuclease, which results from a site-specific high affinity DNA interaction, is also studied. The theoretical results are consistent with available experimental data. Moreover, the model is used to predict the lifetime distribution and force dependence of these paused states.

  8. Automatic Evolution of Molecular Nanotechnology Designs

    NASA Technical Reports Server (NTRS)

    Globus, Al; Lawton, John; Wipke, Todd; Saini, Subhash (Technical Monitor)

    1998-01-01

    This paper describes strategies for automatically generating designs for analog circuits at the molecular level. Software maps out the edges and vertices of potential nanotechnology systems on graphs, then selects appropriate ones through evolutionary or genetic paradigms.

  9. Rotor compound concept for designing an industrial HTS synchronous motor

    NASA Astrophysics Data System (ADS)

    Kashani, M.; Hosseina, M.; Sarrafan, K.; Darabi, A.

    2013-06-01

    Recently, producing power with smaller amount of losses become as a goal in our daily life. Today, large amount of energy waste in power networks all around the world. The main reason is “resistive electric equipments” of power networks. Since early 1980s, simultaneous with the development of high temperature superconductive (HTS) technology, superconductors gently attracted the mankind attentions. Using superconductive equipments instead of conventional resistive ones are result in salient electric loss reduction in power systems. Especially to reduce losses in power networks superconductive industrial rotating machines can potentially perform a significant role. In early recent century, first generation of HTS rotating machines was born. But unfortunately they have long way to penetrate the commercial markets yet. In HTS rotating machines the conventional copper made windings are replaced with the HTS superconductors. In this paper an industrial HTS synchronous motor with YBCO coated conductor field windings was designed. As a new approach, model was equipped with a compound rotor that includes both magnetic and non-magnetic materials. So, large amount of heavy iron made part was replaced by light non-magnetic material such as G-10 fiberglass. Furthermore, in this structure iron loss in rotor could be reduced to its lowest value. Also less weight and more air gap energy density were the additional advantages. Regarding zero electric loss production in field windings and less iron loss in rotor construction, this model potentially is more effective than the other iron made HTS motors.

  10. The analysis and design of brushless D.C. motors

    NASA Astrophysics Data System (ADS)

    Benarous, Maamar

    In modern computer systems electrical drives are used to rotate hard discs. These motors require special torque- speed characteristics. The speed of the hard disc must be constant in order for the unit to function correctly. One type of drive, which is used for hard discs is the brushless-DC-motor. This machine has permanent magnet excitation and a polyphase armature winding. It therefore takes the form of a synchronous machine, and in order to be brushless the armature winding is stationary and the excitation rotates. To run at adjustable speed a variable frequency supply is required. In the brushless D.C form the inverter output is phase locked to the rotor position, it is therefore electro-magnetically similar to the D.C machine where fixed brushes determine the frequency and phase of the current in the armature winding. In order to perform the phase lock action signals measuring the rotor position are needed. In one form of machine Hall effect probes detect the position of the rotor poles, in a second given that the rotor is in motion the induced back emf is used. Experimentally it is convenient to replace these magnet systems with a photo- transistor and rotating shutter system and this was the approach used in this thesis. The objective of this research is to investigate different aspects of this motor. The generation, measurement, and placement of signals is described and illustrated, and the design and construction of an inverter supply circuit is described. Both 2D and 3D finite element analysis is used in order to find the machine parameters as well as cogging torque analysis, using the concept of permanent magnet magnetisation characteristics. It is shown that the cogging can be reduced for certain types of magnetisation. The finite element analysis is taken further by connecting the drive circuit needed to run the machine into the finite element mesh, the machine parameters are defined using this method. The close agreement between the simulation and

  11. Design and analysis of a high power density and high efficiency permanent magnet DC motor

    NASA Astrophysics Data System (ADS)

    Hwang, C. C.; Chang, J. J.

    2000-01-01

    This paper aims to develop a high power density and high efficiency of motor for electric vehicles. The motor, which is used to replace the traditional engine-driven, is a 5-phase 22-pole square-wave brushless permanent magnet (PM) DC motor. The design and optimization of the motor is done with the aid of electromagnetic field analysis based on the finite element method.

  12. Molecular shuttles based on motor proteins: active transport in synthetic environments.

    PubMed

    Hess, H; Vogel, V

    2001-11-01

    Active transport in cells, utilizing molecular motors like kinesin and myosin, provides the inspiration for the integration of active transport into synthetic devices. Hybrid devices, employing motor proteins in a synthetic environment, are the first prototypes of molecular shuttles. Here the basic characteristics of motor proteins are discussed from an engineering point of view, and the experiments aimed at incorporating motor proteins, such as myosins and kinesins, into devices are reviewed. The key problems for the construction of a molecular shuttle are: guiding the direction of motion, controlling the speed, and loading and unloading of cargo. Various techniques, relying on surface topography and chemistry as well as flow fields and electric fields, have been developed to guide the movement of molecular shuttles on surfaces. The control of ATP concentration, acting as a fuel supply, can serve as a means to control the speed of movement. The loading process requires the coupling of cargo to the shuttle, ideally by a strong and specific link. Applications of molecular shuttles can be envisioned, e.g. in the field of nano-electro-mechanical systems (NEMS), where scaling laws favor active transport over fluid flow, and in the bottom-up assembly of novel materials.

  13. The design and analysis of a novel brushless dc linear motor

    NASA Astrophysics Data System (ADS)

    Basak, A.; Filho, A. F. Flores

    1994-05-01

    A novel brushless dc linear motor was designed, with two armature cores and seven high energy product magnets. It was then built and tested. Both the design and the analysis were carried out assuming a linear magnetic circuit. The design procedure and the test results are presented and discussed in this paper. The new motor can also be used as a slotless linear stepping motor.

  14. Structured attachment of bacterial molecular motors for defined microflow induction

    NASA Astrophysics Data System (ADS)

    Woerdemann, Mike; Hörner, Florian; Denz, Cornelia

    2014-01-01

    Bacterial rotational motor complexes that propel flagellated bacteria possess unique properties like their size of a few nanometres and the ability of selfreproduction that have led to various exciting applications including biohybrid nano-machines. One mandatory prerequisite to utilize bacterial nano motors in fluid applications is the ability to transfer force and torque to the fluid, which usually can be achieved by attachment of the bacterial cell to adequate surfaces. Additionally, for optimal transfer of force or torque, precise control of the position down to the single cell level is of utmost importance. Based on a PIV (particle image velocimetry) evaluation of the induced flow of single bacteria,we propose and demonstrate attachment of arbitrary patterns of motile bacterial cells in a fast light-based two-step process for the first time to our knowledge. First, these cells are pre-structured by holographic optical tweezers and then attached to a homogeneous, polystyrene-coated surface. In contrast to the few approaches that have been implemented up to now and which rely on pre-structured surfaces, our scheme allows for precise control on a single bacterium level, is versatile, interactive and has low requirements with respect to the surface preparation.

  15. Assembly of bipolar microtubule structures by passive cross-linkers and molecular motors

    NASA Astrophysics Data System (ADS)

    Johann, D.; Goswami, D.; Kruse, K.

    2016-06-01

    During cell division, sister chromatids are segregated by the mitotic spindle, a bipolar assembly of interdigitating antiparallel polar filaments called microtubules. The spindle contains the midzone, a stable region of overlapping antiparallel microtubules, that is essential for maintaining bipolarity. Although a lot is known about the molecular players involved, the mechanism underlying midzone formation and maintenance is still poorly understood. We study the interaction of polar filaments that are cross-linked by molecular motors moving directionally and by passive cross-linkers diffusing along microtubules. Using a particle-based stochastic model, we find that the interplay of motors and passive cross-linkers can generate a stable finite overlap between a pair of antiparallel polar filaments. We develop a mean-field theory to study this mechanism in detail and investigate the influence of steric interactions between motors and passive cross-linkers on the overlap dynamics. In the presence of interspecies steric interactions, passive cross-linkers mimic the behavior of molecular motors and stable finite overlaps are generated even for non-cross-linking motors. Finally, we develop a mean-field theory for a bundle of aligned polar filaments and show that they can self-organize into a spindlelike pattern. Our work suggests possible ways as to how cells can generate spindle midzones and control their extensions.

  16. Force Generation by Molecular-Motor-Powered Microtubule Bundles; Implications for Neuronal Polarization and Growth

    PubMed Central

    Jakobs, Maximilian; Franze, Kristian; Zemel, Assaf

    2015-01-01

    The heavily cross-linked microtubule (MT) bundles found in neuronal processes play a central role in the initiation, growth and maturation of axons and dendrites; however, a quantitative understanding of their mechanical function is still lacking. We here developed computer simulations to investigate the dynamics of force generation in 1D bundles of MTs that are cross-linked and powered by molecular motors. The motion of filaments and the forces they exert are investigated as a function of the motor type (unipolar or bipolar), MT density and length, applied load, and motor connectivity. We demonstrate that only unipolar motors (e.g., kinesin-1) can provide the driving force for bundle expansion, while bipolar motors (e.g., kinesin-5) oppose it. The force generation capacity of the bundles is shown to depend sharply on the fraction of unipolar motors due to a percolation transition that must occur in the bundle. Scaling laws between bundle length, force, MT length and motor fraction are presented. In addition, we investigate the dynamics of growth in the presence of a constant influx of MTs. Beyond a short equilibration period, the bundles grow linearly in time. In this growth regime, the bundle extends as one mass forward with most filaments sliding with the growth velocity. The growth velocity is shown to be dictated by the inward flux of MTs, to inversely scale with the load and to be independent of the free velocity of the motors. These findings provide important molecular-level insights into the mechanical function of the MT cytoskeleton in normal axon growth and regeneration after injury. PMID:26617489

  17. Towards a molecular understanding of the apicomplexan actin motor: on a road to novel targets for malaria remedies?

    SciTech Connect

    Kumpula, Esa-Pekka; Kursula, Inari

    2015-04-16

    In this review, current structural understanding of the apicomplexan glideosome and actin regulation is described. Apicomplexan parasites are the causative agents of notorious human and animal diseases that give rise to considerable human suffering and economic losses worldwide. The most prominent parasites of this phylum are the malaria-causing Plasmodium species, which are widespread in tropical and subtropical regions, and Toxoplasma gondii, which infects one third of the world’s population. These parasites share a common form of gliding motility which relies on an actin–myosin motor. The components of this motor and the actin-regulatory proteins in Apicomplexa have unique features compared with all other eukaryotes. This, together with the crucial roles of these proteins, makes them attractive targets for structure-based drug design. In recent years, several structures of glideosome components, in particular of actins and actin regulators from apicomplexan parasites, have been determined, which will hopefully soon allow the creation of a complete molecular picture of the parasite actin–myosin motor and its regulatory machinery. Here, current knowledge of the function of this motor is reviewed from a structural perspective.

  18. Molecular Nanotechnology and Designs of Future

    NASA Technical Reports Server (NTRS)

    Srivastava, Deepak; Chancellor, Marisa K. (Technical Monitor)

    1997-01-01

    Reviewing the status of current approaches and future projections, as already published in the scientific journals and books, the talk will summarize the direction in which computational and experimental molecular nanotechnologies are progressing. Examples of nanotechnological approach to the concepts of design and simulation of atomically precise materials in a variety of interdisciplinary areas will be presented. The concepts of hypothetical molecular machines and assemblers as explained in Drexler's and Merckle's already published work and Han et. al's WWW distributed molecular gears will be explained.

  19. Measuring the number and spacing of molecular motors propelling a gliding microtubule

    NASA Astrophysics Data System (ADS)

    Fallesen, Todd L.; Macosko, Jed C.; Holzwarth, G.

    2011-01-01

    The molecular motor gliding assay, in which a microtubule or other filament moves across a surface coated with motors, has provided much insight into how molecular motors work. The kinesin-microtubule system is also a strong candidate for the job of nanoparticle transporter in nanotechnology devices. In most cases, several motors transport each filament. Each motor serves both to bind the microtubule to a stationary surface and to propel the microtubule along the surface. By applying a uniform transverse force of 4-19 pN to a superparamagnetic bead attached to the trailing end of the microtubule, we have measured the distance d between binding points (motors). The average value of d was determined as a function of motor surface density σ. The measurements agree well with the scaling model of Duke, Holy, and Liebler, which predicts that ~σ-2/5 if 0.05⩽σ⩽20μm-2 [Phys. Rev. Lett.PRLTAO0031-900710.1103/PhysRevLett.74.330 74, 330 (1995)]. The distribution of d fits an extension of the model. The radius of curvature of a microtubule bent at a binding point by the force of the magnetic bead was ≈1 μm, 5000-fold smaller than the radius of curvature of microtubules subjected only to thermal forces. This is evidence that at these points of high bending stress, generated by the force on the magnetic bead, the microtubule is in the more flexible state of a two-state model of microtubule bending proposed by Heussinger, Schüller, and Frey [Phys. Rev. EPLEEE81063-651X10.1103/PhysRevE.81.021904 81, 021904 (2010)].

  20. Memory, bias, and correlations in bidirectional transport of molecular-motor-driven cargoes

    NASA Astrophysics Data System (ADS)

    Bhat, Deepak; Gopalakrishnan, Manoj

    2013-10-01

    Molecular motors are specialized proteins that perform active, directed transport of cellular cargoes on cytoskeletal filaments. In many cases, cargo motion powered by motor proteins is found to be bidirectional, and may be viewed as a biased random walk with fast unidirectional runs interspersed with slow tug-of-war states. The statistical properties of this walk are not known in detail, and here, we study memory and bias, as well as directional correlations between successive runs in bidirectional transport. We show, based on a study of the direction-reversal probabilities of the cargo using a purely stochastic (tug-of-war) model, that bidirectional motion of cellular cargoes is, in general, a correlated random walk. In particular, while the motion of a cargo driven by two oppositely pulling motors is a Markovian random walk, memory of direction appears when multiple motors haul the cargo in one or both directions. In the latter case, the Markovian nature of the underlying single-motor processes is hidden by internal transitions between degenerate run and pause states of the cargo. Interestingly, memory is found to be a nonmonotonic function of the number of motors. Stochastic numerical simulations of the tug-of-war model support our mathematical results and extend them to biologically relevant situations.

  1. Block 2 Solid Rocket Motor (SRM) conceptual design study. Volume 1: Appendices

    NASA Technical Reports Server (NTRS)

    1986-01-01

    The design studies task implements the primary objective of developing a Block II Solid Rocket Motor (SRM) design offering improved flight safety and reliability. The SRM literature was reviewed. The Preliminary Development and Validation Plan is presented.

  2. The Design and its Verification of the Double Rotor Double Cage Induction Motor

    NASA Astrophysics Data System (ADS)

    Sinha, Sumita; Deb, Nirmal K.; Biswas, Sujit K.

    2016-06-01

    The concept of a double rotor motor presented earlier and its equivalent circuit has been developed, showing a non-linear parameter content. The two rotors (which are recommended to be double cage type for development of high starting torque) can run with equal or unequal speed independently, depending on their individual loading. This paper presents the elaborate design procedure, step-by-step, for the double rotor double cage motor and verifies the designed data with that obtained from three separate tests (compared to two for conventional motor) on a prototype, such that optimum performance can be obtained from the motor.

  3. Design, manufacture, and test of coolant pump-motor assembly for Brayton power conversion system

    NASA Technical Reports Server (NTRS)

    Gabacz, L. E.

    1973-01-01

    The design, development, fabrication, and testing of seven coolant circulating pump-motor assemblies are discussed. The pump-motor assembly is driven by the nominal 44.4-volt, 400-Hz, 3-phase output of a nominal 56-volt dc input inverter. The pump-motor assembly will be used to circulate Dow Corning 200 liquid coolant for use in a Brayton cycle space power system. The pump-motor assembly develops a nominal head of 70 psi at 3.7 gpm with an over-all efficiency of 26 percent. The design description, drawings, photographs, reliability results, and developmental and acceptance test results are included.

  4. Molecular Similarity in Computer-Aided Molecular Design.

    NASA Astrophysics Data System (ADS)

    Hodgkin, Edward E.

    Available from UMI in association with The British Library. Requires signed TDF. The quantitative measurement of how similar one molecule is to another is investigated as a potential aid to molecular design. The work concentrates on the comparison of electronic properties of molecules, in particular electron density distribution, molecular electrostatic potential, molecular electric field and frontier orbital wavefunctions. A novel formula for molecular similarity has been devised and applied to these four properties. An approximate representation of valence electron density is used, based on the notion that charge distribution in a large molecule may be built from transferable contributions from its constituent functional groups. Each of these contributions consists of a series of first-order gaussian functions. The electrostatic potentials and electric fields used in the similarity calculations are computed from atom -centered partial charges. The frontier orbital wavefunction comparisons are performed using the extended Huckel method. The four measures of similarity are related to chemical and biological data and shown to have possible applications in the area of drug design.

  5. Asymptotic analysis of microtubule-based transport by multiple identical molecular motors.

    PubMed

    McKinley, Scott A; Athreya, Avanti; Fricks, John; Kramer, Peter R

    2012-07-21

    We describe a system of stochastic differential equations (SDEs) which model the interaction between processive molecular motors, such as kinesin and dynein, and the biomolecular cargo they tow as part of microtubule-based intracellular transport. We show that the classical experimental environment fits within a parameter regime which is qualitatively distinct from conditions one expects to find in living cells. Through an asymptotic analysis of our system of SDEs, we develop a means for applying in vitro observations of the nonlinear response by motors to forces induced on the attached cargo to make analytical predictions for two parameter regimes that have thus far eluded direct experimental observation: (1) highly viscous in vivo transport and (2) dynamics when multiple identical motors are attached to the cargo and microtubule.

  6. Visible-Light-Driven Photoisomerization and Increased Rotation Speed of a Molecular Motor Acting as a Ligand in a Ruthenium(II) Complex.

    PubMed

    Wezenberg, Sander J; Chen, Kuang-Yen; Feringa, Ben L

    2015-09-21

    Toward the development of visible-light-driven molecular rotary motors, an overcrowded alkene-based ligand and the corresponding ruthenium(II) complex is presented. In our design, a 4,5-diazafluorenyl coordination motif is directly integrated into the motor function. The photochemical and thermal isomerization behavior has been studied by UV/Vis and NMR spectroscopy. Upon coordination to a Ru(II) bipyridine complex, the photoisomerization process can be driven by visible (λmax = 450 nm) instead of UV light and furthermore, a large increase of the speed of rotation is noted. DFT calculations point to a contraction of the diazafluorenyl lower half upon metal-coordination resulting in reduced steric hindrance in the "fjord region" of the molecule. Consequently, it is shown that metal-ligand interactions can play an important role in the adjustment of both photophysical and thermodynamic properties of molecular motors.

  7. Structural and Molecular Basis for Coordination in a Viral DNA Packaging Motor

    PubMed Central

    Reyes-Aldrete, Emilio; Sherman, Michael B.; Woodson, Michael; Atz, Rockney; Grimes, Shelley; Jardine, Paul J.; Morais, Marc C.

    2016-01-01

    SUMMARY Ring NTPases are a class of ubiquitous molecular motors involved in basic biological partitioning processes. dsDNA viruses encode ring ATPases that translocate their genomes to near-crystalline densities within pre-assembled viral capsids. Here, X-ray crystallography, cryoEM, and biochemical analyses of the dsDNA packaging motor in bacteriophage phi29 show how individual subunits are arranged in a pentameric ATPase ring, and suggest how their activities are coordinated to translocate dsDNA. The resulting pseudo-atomic structure of the motor and accompanying functional analyses show how ATP is bound in the ATPase active site; identify two DNA contacts, including a potential DNA translocating loop; demonstrate that a trans-acting arginine finger is involved in coordinating hydrolysis around the ring; and suggest a functional coupling between the arginine finger and the DNA translocating loop. The ability to visualize the motor in action illuminates how the different motor components interact with each other and with their DNA substrate. PMID:26904950

  8. A unified phenomenological analysis of the experimental velocity curves in molecular motors.

    PubMed

    Ciudad, Aleix; Sancho, J M

    2008-06-14

    We present a unified phenomenological kinetic framework to analyze the experimental data of several motor proteins (either linear or rotatory). This formalism allows us to discriminate the characteristic times of most relevant subprocesses. Explicitly, internal mechanical as well as chemical times are taken into account and joined together in a full-cycle time where effusion, diffusion and chemical rates, viscoelastic friction, and overdamped motion are considered. This approach clarifies the most relevant mechanisms in a particular motor by using the available experimental data of velocity versus external load and substrate concentration. We apply our analysis to three real molecular motors for which enough experimental data are available: the bacterial flagellar motor [Yoshiyuki et al., J. Mol. Biol. 377, 1043 (2003)], conventional kinesin (kinesin-1) [Block et al., Proc. Natl. Acad. Sci. U.S.A. 100, 2351 (2003)], and a RAN polymerase [Abbondanzieril, Nature (London) 438, 460 (2003)]. Moreover, the mechanism of stalling a motor is revised and split into two different concepts (mechanical and chemical stalling) that shed light to the understanding of backstepping in kinesin-1.

  9. Physical aspects of the structure and function of helicases as rotary molecular motors

    SciTech Connect

    Pikin, S. A.

    2009-11-15

    Helicases were shown to have common physical properties with rotary molecular motors, such as F{sub 0}F{sub 1}-ATP synthase and type I restriction-modification (RM) enzymes. The necessary conditions for action of molecular motors are chirality, the presence of the C{sub 2} (or lower) symmetry axis within rather large atomic groups, and polarization properties. The estimates were made for the material parameters of helicases, which translocate DNA due to moving chiral kinks without DNA cleavage and are characterized by higher viscosity, low mobility, and smaller chiral kinetic coefficients than type II RM enzymes. This paper discusses the efficiency of helicases with opposite polarities that drive DNA translocation in opposite directions.

  10. Allosteric Regulation of the Rotational Speed in a Light-Driven Molecular Motor

    PubMed Central

    2016-01-01

    The rotational speed of an overcrowded alkene-based molecular rotary motor, having an integrated 4,5-diazafluorenyl coordination motif, can be regulated allosterically via the binding of metal ions. DFT calculations have been used to predict the relative speed of rotation of three different (i.e., zinc, palladium, and platinum) metal dichloride complexes. The photochemical and thermal isomerization behavior of these complexes has been studied in detail using UV–vis and 1H NMR spectroscopy. Our results confirm that metal coordination induces a contraction of the diazafluorenyl lower half, resulting in a reduction of the steric hindrance in the “fjord” region of the molecule, which causes an increase of the rotational speed. Importantly, metal complexation can be accomplished in situ and is found to be reversible upon the addition of a competing ligand. Consequently, the rotational behavior of these molecular motors can be dynamically controlled with chemical additives. PMID:27669358

  11. Molecular understanding and design of zwitterionic materials.

    PubMed

    Shao, Qing; Jiang, Shaoyi

    2015-01-01

    Zwitterionic materials have moieties possessing cationic and anionic groups. This molecular structure leads to unique properties that can be the solutions of various application problems. A typical example is that zwitterionic carboxybetaine (CB) and sulfobetaine (SB) materials resist nonspecific protein adsorption in complex media. Considering the vast number of cationic and anionic groups in the current chemical inventory, there are many possible structural variations of zwitterionic materials. The diversified structures provide the possibility to achieve many desired properties and urge a better understanding of zwitterionic materials to provide design principles. Molecular simulations and modeling are a versatile tool to understand the structure-property relationships of materials at the molecular level. This progress report summarizes recent simulation and modeling studies addressing two fundamental questions regarding zwitterionic materials and their applications as biomaterials. First, what are the differences between zwitterionic and nonionic materials? Second, what are the differences among zwitterionic materials? This report also demonstrates a molecular design of new protein-resistant zwitterionic moieties beyond conventional CB and SB based on design principles developed from these simulation studies.

  12. How molecular motors extract order from chaos (a key issues review).

    PubMed

    Hoffmann, Peter M

    2016-03-01

    Molecular motors are the workhorses of living cells. Seemingly by 'magic', these molecules are able to complete purposeful tasks while being immersed in a sea of thermal chaos. Here, we review the current understanding of how these machines work, present simple models based on thermal ratchets, discuss implications for statistical physics, and provide an overview of ongoing research in this important and fascinating field of study. PMID:26863000

  13. How molecular motors extract order from chaos (a key issues review)

    NASA Astrophysics Data System (ADS)

    Hoffmann, Peter M.

    2016-03-01

    Molecular motors are the workhorses of living cells. Seemingly by ‘magic’, these molecules are able to complete purposeful tasks while being immersed in a sea of thermal chaos. Here, we review the current understanding of how these machines work, present simple models based on thermal ratchets, discuss implications for statistical physics, and provide an overview of ongoing research in this important and fascinating field of study.

  14. 36 CFR 212.57 - Monitoring of effects of motor vehicle use on designated roads and trails and in designated areas.

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... motor vehicle use on designated roads and trails and in designated areas. 212.57 Section 212.57 Parks... Roads, Trails, and Areas for Motor Vehicle Use § 212.57 Monitoring of effects of motor vehicle use on designated roads and trails and in designated areas. For each administrative unit of the National...

  15. 36 CFR 212.57 - Monitoring of effects of motor vehicle use on designated roads and trails and in designated areas.

    Code of Federal Regulations, 2014 CFR

    2014-07-01

    ... motor vehicle use on designated roads and trails and in designated areas. 212.57 Section 212.57 Parks... Roads, Trails, and Areas for Motor Vehicle Use § 212.57 Monitoring of effects of motor vehicle use on designated roads and trails and in designated areas. For each administrative unit of the National...

  16. 36 CFR 212.57 - Monitoring of effects of motor vehicle use on designated roads and trails and in designated areas.

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ... motor vehicle use on designated roads and trails and in designated areas. 212.57 Section 212.57 Parks... Roads, Trails, and Areas for Motor Vehicle Use § 212.57 Monitoring of effects of motor vehicle use on designated roads and trails and in designated areas. For each administrative unit of the National...

  17. 36 CFR 212.57 - Monitoring of effects of motor vehicle use on designated roads and trails and in designated areas.

    Code of Federal Regulations, 2011 CFR

    2011-07-01

    ... motor vehicle use on designated roads and trails and in designated areas. 212.57 Section 212.57 Parks... Roads, Trails, and Areas for Motor Vehicle Use § 212.57 Monitoring of effects of motor vehicle use on designated roads and trails and in designated areas. For each administrative unit of the National...

  18. 36 CFR 212.57 - Monitoring of effects of motor vehicle use on designated roads and trails and in designated areas.

    Code of Federal Regulations, 2012 CFR

    2012-07-01

    ... motor vehicle use on designated roads and trails and in designated areas. 212.57 Section 212.57 Parks... Roads, Trails, and Areas for Motor Vehicle Use § 212.57 Monitoring of effects of motor vehicle use on designated roads and trails and in designated areas. For each administrative unit of the National...

  19. Magnetic capture from blood rescues molecular motor function in diagnostic nanodevices

    PubMed Central

    2013-01-01

    Background Introduction of effective point-of-care devices for use in medical diagnostics is part of strategies to combat accelerating health-care costs. Molecular motor driven nanodevices have unique potentials in this regard due to unprecedented level of miniaturization and independence of external pumps. However motor function has been found to be inhibited by body fluids. Results We report here that a unique procedure, combining separation steps that rely on antibody-antigen interactions, magnetic forces applied to magnetic nanoparticles (MPs) and the specificity of the actomyosin bond, can circumvent the deleterious effects of body fluids (e.g. blood serum). The procedure encompasses the following steps: (i) capture of analyte molecules from serum by MP-antibody conjugates, (ii) pelleting of MP-antibody-analyte complexes, using a magnetic field, followed by exchange of serum for optimized biological buffer, (iii) mixing of MP-antibody-analyte complexes with actin filaments conjugated with same polyclonal antibodies as the magnetic nanoparticles. This causes complex formation: MP-antibody-analyte-antibody-actin, and magnetic separation is used to enrich the complexes. Finally (iv) the complexes are introduced into a nanodevice for specific binding via actin filaments to surface adsorbed molecular motors (heavy meromyosin). The number of actin filaments bound to the motors in the latter step was significantly increased above the control value if protein analyte (50–60 nM) was present in serum (in step i) suggesting appreciable formation and enrichment of the MP-antibody-analyte-antibody-actin complexes. Furthermore, addition of ATP demonstrated maintained heavy meromyosin driven propulsion of actin filaments showing that the serum induced inhibition was alleviated. Detailed analysis of the procedure i-iv, using fluorescence microscopy and spectroscopy identified main targets for future optimization. Conclusion The results demonstrate a promising approach for

  20. Design and evaluation of a computerized test for hand motor skills.

    PubMed

    Hsiao, Hsien-Sheng; Chang, Cheng-Sian; Lin, Chien-Yu; Chiu, Ching-Tsun

    2014-06-01

    The purposes of this study are to design and develop a computerized test to measure junior high school students' motor skills, specifically their abilities in hand-eye motor coordination and hand motor skills, using the Wii Remote. The hand motor skills computerized test, which is based on the operational examinations in the General Aptitude Test Battery, examines hand and finger dexterity (i.e., motion, rotation, fabrication, and disassembly tests). 55 students participated in the experiment to assess the reliability and validity of the computerized test, which were supported. Information literacy and experience in the use of Wii devices did not affect the reliability.

  1. fMRI analysis for motor paradigms using EMG-based designs: a validation study.

    PubMed

    van Rootselaar, Anne-Fleur; Renken, Remco; de Jong, Bauke M; Hoogduin, Johannes M; Tijssen, Marina A J; Maurits, Natasha M

    2007-11-01

    The goal of the present validation study is to show that continuous surface EMG recorded simultaneously with 3T fMRI can be used to identify local brain activity related to (1) motor tasks, and to (2) muscle activity independently of a specific motor task, i.e. spontaneous (abnormal) movements. Five healthy participants performed a motor task, consisting of posture (low EMG power), and slow (medium EMG power) and fast (high EMG power) wrist flexion-extension movements. Brain activation maps derived from a conventional block design analysis (block-only design) were compared with brain activation maps derived using EMG-based regressors: (1) using the continuous EMG power as a single regressor of interest (EMG-only design) to relate motor performance and brain activity, and (2) using EMG power variability as an additional regressor in the fMRI block design analysis to relate movement variability and brain activity (mathematically) independent of the motor task. The agreement between the identified brain areas for the block-only design and the EMG-only design was excellent for all participants. Additionally, we showed that EMG power variability correlated well with activity in brain areas known to be involved in movement modulation. These innovative EMG-fMRI analysis techniques will allow the application of novel motor paradigms. This is an important step forward in the study of both the normally functioning motor system and the pathophysiological mechanisms in movement disorders.

  2. Molecular design of substrate binding sites

    SciTech Connect

    Shelnutt, J.A.; Hobbs, J.D.

    1991-12-31

    Computer-aided molecular design methods were used to tailor binding sites for small substrate molecules, including CO{sub 2} and methane. The goal is to design a cavity, adjacent to a catalytic metal center, into which the substrate will selectively bind through only non-bonding interactions with the groups lining the binding pocket. Porphyrins are used as a basic molecular structure, with various substituents added to construct the binding pocket. The conformations of these highly-substituted porphyrins are predicted using molecular mechanics calculations with a force field that gives accurate predictions for metalloporhyrins. Dynamics and energy-minimization calculations of substrate molecules bound to the cavity indicate high substrate binding affinity. The size, shape and charge-distribution of groups surrounding the cavity provide molecular selectivity. Specifically, calculated binding energies of methane, benzene, dichloromethane, CO{sub 2} and chloroform vary by about 10 kcal/mol for metal octaethyl-tetraphenylporphyrins (OETPPs) with chloroform, dichloromethane, and CO{sub 2} having the lowest. Significantly, a solvent molecule is found in the cavity in the X-ray structures of Co- and CuOETPP crystals obtained from dichloromethane. 5 refs., 3 figs., 3 tabs.

  3. Molecular design of substrate binding sites

    SciTech Connect

    Shelnutt, J.A.; Hobbs, J.D.

    1991-01-01

    Computer-aided molecular design methods were used to tailor binding sites for small substrate molecules, including CO{sub 2} and methane. The goal is to design a cavity, adjacent to a catalytic metal center, into which the substrate will selectively bind through only non-bonding interactions with the groups lining the binding pocket. Porphyrins are used as a basic molecular structure, with various substituents added to construct the binding pocket. The conformations of these highly-substituted porphyrins are predicted using molecular mechanics calculations with a force field that gives accurate predictions for metalloporhyrins. Dynamics and energy-minimization calculations of substrate molecules bound to the cavity indicate high substrate binding affinity. The size, shape and charge-distribution of groups surrounding the cavity provide molecular selectivity. Specifically, calculated binding energies of methane, benzene, dichloromethane, CO{sub 2} and chloroform vary by about 10 kcal/mol for metal octaethyl-tetraphenylporphyrins (OETPPs) with chloroform, dichloromethane, and CO{sub 2} having the lowest. Significantly, a solvent molecule is found in the cavity in the X-ray structures of Co- and CuOETPP crystals obtained from dichloromethane. 5 refs., 3 figs., 3 tabs.

  4. Stochastic dynamics of small ensembles of non-processive molecular motors: The parallel cluster model

    NASA Astrophysics Data System (ADS)

    Erdmann, Thorsten; Albert, Philipp J.; Schwarz, Ulrich S.

    2013-11-01

    Non-processive molecular motors have to work together in ensembles in order to generate appreciable levels of force or movement. In skeletal muscle, for example, hundreds of myosin II molecules cooperate in thick filaments. In non-muscle cells, by contrast, small groups with few tens of non-muscle myosin II motors contribute to essential cellular processes such as transport, shape changes, or mechanosensing. Here we introduce a detailed and analytically tractable model for this important situation. Using a three-state crossbridge model for the myosin II motor cycle and exploiting the assumptions of fast power stroke kinetics and equal load sharing between motors in equivalent states, we reduce the stochastic reaction network to a one-step master equation for the binding and unbinding dynamics (parallel cluster model) and derive the rules for ensemble movement. We find that for constant external load, ensemble dynamics is strongly shaped by the catch bond character of myosin II, which leads to an increase of the fraction of bound motors under load and thus to firm attachment even for small ensembles. This adaptation to load results in a concave force-velocity relation described by a Hill relation. For external load provided by a linear spring, myosin II ensembles dynamically adjust themselves towards an isometric state with constant average position and load. The dynamics of the ensembles is now determined mainly by the distribution of motors over the different kinds of bound states. For increasing stiffness of the external spring, there is a sharp transition beyond which myosin II can no longer perform the power stroke. Slow unbinding from the pre-power-stroke state protects the ensembles against detachment.

  5. Stochastic dynamics of small ensembles of non-processive molecular motors: The parallel cluster model

    SciTech Connect

    Erdmann, Thorsten; Albert, Philipp J.; Schwarz, Ulrich S.

    2013-11-07

    Non-processive molecular motors have to work together in ensembles in order to generate appreciable levels of force or movement. In skeletal muscle, for example, hundreds of myosin II molecules cooperate in thick filaments. In non-muscle cells, by contrast, small groups with few tens of non-muscle myosin II motors contribute to essential cellular processes such as transport, shape changes, or mechanosensing. Here we introduce a detailed and analytically tractable model for this important situation. Using a three-state crossbridge model for the myosin II motor cycle and exploiting the assumptions of fast power stroke kinetics and equal load sharing between motors in equivalent states, we reduce the stochastic reaction network to a one-step master equation for the binding and unbinding dynamics (parallel cluster model) and derive the rules for ensemble movement. We find that for constant external load, ensemble dynamics is strongly shaped by the catch bond character of myosin II, which leads to an increase of the fraction of bound motors under load and thus to firm attachment even for small ensembles. This adaptation to load results in a concave force-velocity relation described by a Hill relation. For external load provided by a linear spring, myosin II ensembles dynamically adjust themselves towards an isometric state with constant average position and load. The dynamics of the ensembles is now determined mainly by the distribution of motors over the different kinds of bound states. For increasing stiffness of the external spring, there is a sharp transition beyond which myosin II can no longer perform the power stroke. Slow unbinding from the pre-power-stroke state protects the ensembles against detachment.

  6. Molecular interactions and residues involved in force generation in the T4 viral DNA packaging motor.

    PubMed

    Migliori, Amy D; Smith, Douglas E; Arya, Gaurav

    2014-12-12

    Many viruses utilize molecular motors to package their genomes into preformed capsids. A striking feature of these motors is their ability to generate large forces to drive DNA translocation against entropic, electrostatic, and bending forces resisting DNA confinement. A model based on recently resolved structures of the bacteriophage T4 motor protein gp17 suggests that this motor generates large forces by undergoing a conformational change from an extended to a compact state. This transition is proposed to be driven by electrostatic interactions between complementarily charged residues across the interface between the N- and C-terminal domains of gp17. Here we use atomistic molecular dynamics simulations to investigate in detail the molecular interactions and residues involved in such a compaction transition of gp17. We find that although electrostatic interactions between charged residues contribute significantly to the overall free energy change of compaction, interactions mediated by the uncharged residues are equally if not more important. We identify five charged residues and six uncharged residues at the interface that play a dominant role in the compaction transition and also reveal salt bridging, van der Waals, and solvent hydrogen-bonding interactions mediated by these residues in stabilizing the compact form of gp17. The formation of a salt bridge between Glu309 and Arg494 is found to be particularly crucial, consistent with experiments showing complete abrogation in packaging upon Glu309Lys mutation. The computed contributions of several other residues are also found to correlate well with single-molecule measurements of impairments in DNA translocation activity caused by site-directed mutations. PMID:25311860

  7. Design and simulation of a novel impact piezoelectric linear-rotary motor

    NASA Astrophysics Data System (ADS)

    Han, Liling; Zhao, Yahui; Pan, Chengliang; Yu, Liandong

    2016-01-01

    This paper presents a novel impact piezoelectric linear-rotary motor which is driven by a single piezoceramic tube with two parts of electrodes. From the inner and outer electrodes, longitudinal displacement of the tube is generated and used to actuate the shaft with linear motion ability. From the grooved helical interdigitated electrodes, torsional displacement is generated and used to actuate the shaft with rotary motion ability. Working principle and structural design of the motor are introduced and quasi-static longitudinal and torsional displacements of the tube are estimated. With established kinematics model of the motor, the working behaviors of the motor are investigated numerically with MATLAB/Simulink software. The stepping characteristics of the linear and rotary motions are analyzed, compared, and discussed. With optimized material selection, structural design, and driving parameters, the proposed linear-rotary motor will provide remarkable performances as a miniaturized multi-degree driving device for complex positioning and manipulation applications.

  8. Application of quasi-steady state methods to molecular motor transport on microtubules in fungal hyphae.

    PubMed

    Dauvergne, Duncan; Edelstein-Keshet, Leah

    2015-08-21

    We consider bidirectional transport of cargo by molecular motors dynein and kinesin that walk along microtubules, and/or diffuse in the cell. The motors compete to transport cargo in opposite directions with respect to microtubule polarity (towards the plus or minus end of the microtubule). In recent work, Gou et al. (2014) used a hierarchical set of models, each consisting of continuum transport equations to track the evolution of motors and their cargo (early endosomes) in the specific case of the fungus Ustilago maydis. We complement their work using a framework of quasi-steady state analysis developed by Newby and Bressloff (2010) and Bressloff and Newby (2013) to reduce the models to an approximating steady state Fokker-Plank equation. This analysis allows us to find analytic approximations to the steady state solutions in many cases where the full models are not easily solved. Consequently, we can make predictions about parameter dependence of the resulting spatial distributions. We also characterize the overall rates of bulk transport and diffusion, and how these are related to state transition parameters, motor speeds, microtubule polarity distribution, and specific assumptions made.

  9. Improved Hidden Markov Models for Molecular Motors, Part 2: Extensions and Application to Experimental Data

    PubMed Central

    Syed, Sheyum; Müllner, Fiona E.; Selvin, Paul R.; Sigworth, Fred J.

    2010-01-01

    Unbiased interpretation of noisy single molecular motor recordings remains a challenging task. To address this issue, we have developed robust algorithms based on hidden Markov models (HMMs) of motor proteins. The basic algorithm, called variable-stepsize HMM (VS-HMM), was introduced in the previous article. It improves on currently available Markov-model based techniques by allowing for arbitrary distributions of step sizes, and shows excellent convergence properties for the characterization of staircase motor timecourses in the presence of large measurement noise. In this article, we extend the VS-HMM framework for better performance with experimental data. The extended algorithm, variable-stepsize integrating-detector HMM (VSI-HMM) better models the data-acquisition process, and accounts for random baseline drifts. Further, as an extension, maximum a posteriori estimation is provided. When used as a blind step detector, the VSI-HMM outperforms conventional step detectors. The fidelity of the VSI-HMM is tested with simulations and is applied to in vitro myosin V data where a small 10 nm population of steps is identified. It is also applied to an in vivo recording of melanosome motion, where strong evidence is found for repeated, bidirectional steps smaller than 8 nm in size, implying that multiple motors simultaneously carry the cargo. PMID:21112294

  10. Structure of the torque ring of the flagellar motor and the molecular basis for rotational switching.

    PubMed

    Lee, Lawrence K; Ginsburg, Michael A; Crovace, Claudia; Donohoe, Mhairi; Stock, Daniela

    2010-08-19

    The flagellar motor drives the rotation of flagellar filaments at hundreds of revolutions per second, efficiently propelling bacteria through viscous media. The motor uses the potential energy from an electrochemical gradient of cations across the cytoplasmic membrane to generate torque. A rapid switch from anticlockwise to clockwise rotation determines whether a bacterium runs smoothly forward or tumbles to change its trajectory. A protein called FliG forms a ring in the rotor of the flagellar motor that is involved in the generation of torque through an interaction with the cation-channel-forming stator subunit MotA. FliG has been suggested to adopt distinct conformations that induce switching but these structural changes and the molecular mechanism of switching are unknown. Here we report the molecular structure of the full-length FliG protein, identify conformational changes that are involved in rotational switching and uncover the structural basis for the formation of the FliG torque ring. This allows us to propose a model of the complete ring and switching mechanism in which conformational changes in FliG reverse the electrostatic charges involved in torque generation. PMID:20676082

  11. Structure of the torque ring of the flagellar motor and the molecular basis for rotational switching

    SciTech Connect

    Lee, Lawrence K.; Ginsburg, Michael A.; Crovace, Claudia; Donohoe, Mhairi; Stock, Daniela

    2010-09-13

    The flagellar motor drives the rotation of flagellar filaments at hundreds of revolutions per second, efficiently propelling bacteria through viscous media. The motor uses the potential energy from an electrochemical gradient of cations across the cytoplasmic membrane to generate torque. A rapid switch from anticlockwise to clockwise rotation determines whether a bacterium runs smoothly forward or tumbles to change its trajectory. A protein called FliG forms a ring in the rotor of the flagellar motor that is involved in the generation of torque through an interaction with the cation-channel-forming stator subunit MotA. FliG has been suggested to adopt distinct conformations that induce switching but these structural changes and the molecular mechanism of switching are unknown. Here we report the molecular structure of the full-length FliG protein, identify conformational changes that are involved in rotational switching and uncover the structural basis for the formation of the FliG torque ring. This allows us to propose a model of the complete ring and switching mechanism in which conformational changes in FliG reverse the electrostatic charges involved in torque generation.

  12. Molecular motor-induced instabilities and cross linkers determine biopolymer organization.

    SciTech Connect

    Smith, D.; Ziebert, F.; Humphrey, D.; Duggan, C.; Steinbeck, M.; Zimmermann, W.; Kas, J.; Materials Science Division; Univ. of Leipzig; Univ. of Texas at Austin; Univ. Bayreuth

    2007-01-01

    All eukaryotic cells rely on the active self-organization of protein filaments to form a responsive intracellular cytoskeleton. The necessity of motility and reaction to stimuli additionally requires pathways that quickly and reversibly change cytoskeletal organization. While thermally driven order-disorder transitions are, from the viewpoint of physics, the most obvious method for controlling states of organization, the timescales necessary for effective cellular dynamics would require temperatures exceeding the physiologically viable temperature range. We report a mechanism whereby the molecular motor myosin II can cause near-instantaneous order-disorder transitions in reconstituted cytoskeletal actin solutions. When motor-induced filament sliding diminishes, the actin network structure rapidly and reversibly self-organizes into various assemblies. Addition of stable cross linkers was found to alter the architectures of ordered assemblies. These isothermal transitions between dynamic disorder and self-assembled ordered states illustrate that the interplay between passive crosslinking and molecular motor activity plays a substantial role in dynamic cellular organization.

  13. Discrete Step Sizes of Molecular Motors Lead to Bimodal Non-Gaussian Velocity Distributions under Force

    NASA Astrophysics Data System (ADS)

    Vu, Huong T.; Chakrabarti, Shaon; Hinczewski, Michael; Thirumalai, D.

    2016-08-01

    Fluctuations in the physical properties of biological machines are inextricably linked to their functions. Distributions of run lengths and velocities of processive molecular motors, like kinesin-1, are accessible through single-molecule techniques, but rigorous theoretical models for these probabilities are lacking. Here, we derive exact analytic results for a kinetic model to predict the resistive force (F )-dependent velocity [P (v )] and run length [P (n )] distribution functions of generic finitely processive molecular motors. Our theory quantitatively explains the zero force kinesin-1 data for both P (n ) and P (v ) using the detachment rate as the only parameter. In addition, we predict the F dependence of these quantities. At nonzero F , P (v ) is non-Gaussian and is bimodal with peaks at positive and negative values of v , which is due to the discrete step size of kinesin-1. Although the predictions are based on analyses of kinesin-1 data, our results are general and should hold for any processive motor, which walks on a track by taking discrete steps.

  14. Mechanochemical coupling of the motion of molecular motors to ATP hydrolysis.

    PubMed Central

    Astumian, R D; Bier, M

    1996-01-01

    The typical biochemical paradigm for coupling between hydrolysis of ATP and the performance of chemical or mechanical work involves a well-defined sequence of events (a kinetic mechanism) with a fixed stoichiometry between the number of ATP molecules hydrolyzed and the turnover of the output reaction. Recent experiments show, however, that such a deterministic picture of coupling may not be adequate to explain observed behavior of molecular motor proteins in the presence of applied forces. Here we present a general model in which the binding of ATP and release of ADP serve to modulate the binding energy of a motor protein as it travels along a biopolymer backbone. The mechanism is loosely coupled--the average number of ATPs hydrolyzed to cause a single step from one binding site to the next depends strongly on the magnitude of an applied force and on the effective viscous drag force. The statistical mechanical perspective described here offers insight into how local anisotrophy along the "track" for a molecular motor, combined with an energy-releasing chemical reaction to provide a source of nonequilibrium fluctuations, can lead to macroscopic motion. Images Scheme 1 FIGURE 1 PMID:8789082

  15. Discrete Step Sizes of Molecular Motors Lead to Bimodal Non-Gaussian Velocity Distributions under Force.

    PubMed

    Vu, Huong T; Chakrabarti, Shaon; Hinczewski, Michael; Thirumalai, D

    2016-08-12

    Fluctuations in the physical properties of biological machines are inextricably linked to their functions. Distributions of run lengths and velocities of processive molecular motors, like kinesin-1, are accessible through single-molecule techniques, but rigorous theoretical models for these probabilities are lacking. Here, we derive exact analytic results for a kinetic model to predict the resistive force (F)-dependent velocity [P(v)] and run length [P(n)] distribution functions of generic finitely processive molecular motors. Our theory quantitatively explains the zero force kinesin-1 data for both P(n) and P(v) using the detachment rate as the only parameter. In addition, we predict the F dependence of these quantities. At nonzero F, P(v) is non-Gaussian and is bimodal with peaks at positive and negative values of v, which is due to the discrete step size of kinesin-1. Although the predictions are based on analyses of kinesin-1 data, our results are general and should hold for any processive motor, which walks on a track by taking discrete steps. PMID:27564000

  16. A new method for the design optimization of three-phase induction motors

    SciTech Connect

    Daidone, A.; Parasiliti, F.; Villani, M.; Lucidi, S.

    1998-09-01

    The paper deals with the optimization problem of induction motors design. In particular a new global minimization algorithm is described; it tries to take into account all the features of these particular problems. A first numerical comparison between this new algorithm and a method widely used in the design optimization of induction motors has been performed. The obtained results show that the proposed approach is promising.

  17. Design of motion adjusting system for space camera based on ultrasonic motor

    NASA Astrophysics Data System (ADS)

    Xu, Kai; Jin, Guang; Gu, Song; Yan, Yong; Sun, Zhiyuan

    2011-08-01

    Drift angle is a transverse intersection angle of vector of image motion of the space camera. Adjusting the angle could reduce the influence on image quality. Ultrasonic motor (USM) is a new type of actuator using ultrasonic wave stimulated by piezoelectric ceramics. They have many advantages in comparison with conventional electromagnetic motors. In this paper, some improvement was designed for control system of drift adjusting mechanism. Based on ultrasonic motor T-60 was designed the drift adjusting system, which is composed of the drift adjusting mechanical frame, the ultrasonic motor, the driver of Ultrasonic Motor, the photoelectric encoder and the drift adjusting controller. The TMS320F28335 DSP was adopted as the calculation and control processor, photoelectric encoder was used as sensor of position closed loop system and the voltage driving circuit designed as generator of ultrasonic wave. It was built the mathematic model of drive circuit of the ultrasonic motor T-60 using matlab modules. In order to verify the validity of the drift adjusting system, was introduced the source of the disturbance, and made simulation analysis. It designed the control systems of motor drive for drift adjusting system with the improved PID control. The drift angle adjusting system has such advantages as the small space, simple configuration, high position control precision, fine repeatability, self locking property and low powers. It showed that the system could accomplish the mission of drift angle adjusting excellent.

  18. Carbon Nanotube Based Molecular Electronics and Motors: A View from Classical and Quantum Dynamics Simulations

    NASA Technical Reports Server (NTRS)

    Srivastava, Deepak; Saini, Subhash (Technical Monitor)

    1998-01-01

    The tubular forms of fullerenes popularly known as carbon nanotubes are experimentally produced as single-, multiwall, and rope configurations. The nanotubes and nanoropes have shown to exhibit unusual mechanical and electronic properties. The single wall nanotubes exhibit both semiconducting and metallic behavior. In short undefected lengths they are the known strongest fibers which are unbreakable even when bent in half. Grown in ropes their tensile strength is approximately 100 times greater than steel at only one sixth the weight. Employing large scale classical and quantum molecular dynamics simulations we will explore the use of carbon nanotubes and carbon nanotube junctions in 2-, 3-, and 4-point molecular electronic device components, dynamic strength characterization for compressive, bending and torsional strains, and chemical functionalization for possible use in a nanoscale molecular motor. The above is an unclassified material produced for non-competitive basic research in the nanotechnology area.

  19. Design of an integral computer-based wheelchair controller/linear synchronous motor system.

    PubMed

    Kelly, G W; Ross, D A; Bass, R M; Davey, K R

    1986-06-01

    The purpose of this paper is to illustrate the advantages of designing computer-based motor controllers together with innovative motors, such that maximum controller/motor system benefits are obtained. Specifically, this paper describes how a computer-based controller/drive system for powered wheelchairs has been designed and is being built and tested. This type of integral controller/drive system has been possible to build into a wheelchair only with the advent of the microprocessor-based feedback motor controller. The type of motor chosen for this project was a linear synchronous motor (LSM), which is highly efficient (90%+) and could easily be made an integral part of a wheelchair wheel, providing a "no-moving-parts" drive system. However, an LSM cannot be variable-speed-controlled without knowledge of, and controlled adjustment to, the absolute rotor versus stator position at each point in time. Microprocessor-based feedback motor controllers make precise, efficient control of LSMs possible at a reasonable cost. In addition, this combination of controller and motor provides a very flexible wheelchair control/drive system that may be easily programmed to suit the needs and necessities of the wide variety of over 200,000 persons now using powered wheelchairs. PMID:3537184

  20. Molecular Rift: Virtual Reality for Drug Designers.

    PubMed

    Norrby, Magnus; Grebner, Christoph; Eriksson, Joakim; Boström, Jonas

    2015-11-23

    Recent advances in interaction design have created new ways to use computers. One example is the ability to create enhanced 3D environments that simulate physical presence in the real world--a virtual reality. This is relevant to drug discovery since molecular models are frequently used to obtain deeper understandings of, say, ligand-protein complexes. We have developed a tool (Molecular Rift), which creates a virtual reality environment steered with hand movements. Oculus Rift, a head-mounted display, is used to create the virtual settings. The program is controlled by gesture-recognition, using the gaming sensor MS Kinect v2, eliminating the need for standard input devices. The Open Babel toolkit was integrated to provide access to powerful cheminformatics functions. Molecular Rift was developed with a focus on usability, including iterative test-group evaluations. We conclude with reflections on virtual reality's future capabilities in chemistry and education. Molecular Rift is open source and can be downloaded from GitHub.

  1. Molecular Rift: Virtual Reality for Drug Designers.

    PubMed

    Norrby, Magnus; Grebner, Christoph; Eriksson, Joakim; Boström, Jonas

    2015-11-23

    Recent advances in interaction design have created new ways to use computers. One example is the ability to create enhanced 3D environments that simulate physical presence in the real world--a virtual reality. This is relevant to drug discovery since molecular models are frequently used to obtain deeper understandings of, say, ligand-protein complexes. We have developed a tool (Molecular Rift), which creates a virtual reality environment steered with hand movements. Oculus Rift, a head-mounted display, is used to create the virtual settings. The program is controlled by gesture-recognition, using the gaming sensor MS Kinect v2, eliminating the need for standard input devices. The Open Babel toolkit was integrated to provide access to powerful cheminformatics functions. Molecular Rift was developed with a focus on usability, including iterative test-group evaluations. We conclude with reflections on virtual reality's future capabilities in chemistry and education. Molecular Rift is open source and can be downloaded from GitHub. PMID:26558887

  2. Thermal fluctuation statistics in a molecular motor described by a multidimensional master equation

    NASA Astrophysics Data System (ADS)

    Challis, K. J.; Jack, M. W.

    2013-12-01

    We present a theoretical investigation of thermal fluctuation statistics in a molecular motor. Energy transfer in the motor is described using a multidimensional discrete master equation with nearest-neighbor hopping. In this theory, energy transfer leads to statistical correlations between thermal fluctuations in different degrees of freedom. For long times, the energy transfer is a multivariate diffusion process with constant drift and diffusion. The fluctuations and drift align in the strong-coupling limit enabling a one-dimensional description along the coupled coordinate. We derive formal expressions for the probability distribution and simulate single trajectories of the system in the near- and far-from-equilibrium limits both for strong and weak coupling. Our results show that the hopping statistics provide an opportunity to distinguish different operating regimes.

  3. Kinetics and chemomechanical properties of the F1-ATPase molecular motor

    NASA Astrophysics Data System (ADS)

    Liu, Ming S.; Todd, B. D.; Sadus, Richard J.

    2003-06-01

    F1-ATPase hydrolyzes ATP into ADP and Pi and converts chemical energy into mechanical rotation with exceptionally high efficiency. This energy-transducing molecular motor increasingly attracts interest for its unique cellular functions and promising application in nanobiotechnology. To better understand the chemomechanics of rotation and loading dynamics of F1-ATPase, we propose a computational model based on enzyme kinetics and Langevin dynamics. We show that the torsional energy and stepwise rotation can be regulated by a series of near-equilibrium reactions when nucleotides bind or unbind, as well as characterized by an effective "ratchet" drag coefficient and a fitting chemomechanic coefficient. For the case of driving an actin filament, the theoretical load-rotation profile is analyzed and comparison with experimental data indicates reasonable agreement. The chemomechanics described in this work is of fundamental importance to all ATP-fueled motor proteins.

  4. Operation mechanism of rotary molecular motor F1 probed by single-molecule techniques

    NASA Astrophysics Data System (ADS)

    Iino, Ryota

    2013-03-01

    F1 is a rotary motor protein. Three catalytic β - subunitsinthestator 33ring are torque generators, and rotate the rotor γ-subunit by sequential and cooperative conformational changes coupled with adenosine triphosphate (ATP) hydrolysis reaction. F1 shows remarkable performances such as rotation rate faster than 10,000 rpm, high reversibility and efficiency in chemo-mechanical energy conversion. I will introduce basic characteristics of F1 revealed by single-molecule imaging and manipulation techniques based on optical microscopy and high-speed atomic force microscopy. I will also discuss the possible operation mechanism behind the F1, along with structurally-related hexameric ATPases, also mentioning the possibility of generating hybrid molecular motors.

  5. 46 CFR 11.524 - Service requirements for designated duty engineer of steam and/or motor vessels.

    Code of Federal Regulations, 2012 CFR

    2012-10-01

    ... steam and/or motor vessels. 11.524 Section 11.524 Shipping COAST GUARD, DEPARTMENT OF HOMELAND SECURITY... Engineer Officer § 11.524 Service requirements for designated duty engineer of steam and/or motor vessels... requirements for endorsements as DDE are: (1) For designated duty engineer of steam and/or motor vessels of...

  6. 46 CFR 11.524 - Service requirements for designated duty engineer of steam and/or motor vessels.

    Code of Federal Regulations, 2010 CFR

    2010-10-01

    ... steam and/or motor vessels. 11.524 Section 11.524 Shipping COAST GUARD, DEPARTMENT OF HOMELAND SECURITY... Engineer Officer § 11.524 Service requirements for designated duty engineer of steam and/or motor vessels... requirements for endorsements as DDE are: (1) For designated duty engineer of steam and/or motor vessels of...

  7. 46 CFR 11.524 - Service requirements for designated duty engineer of steam and/or motor vessels.

    Code of Federal Regulations, 2013 CFR

    2013-10-01

    ... steam and/or motor vessels. 11.524 Section 11.524 Shipping COAST GUARD, DEPARTMENT OF HOMELAND SECURITY... Engineer Officer § 11.524 Service requirements for designated duty engineer of steam and/or motor vessels... requirements for endorsements as DDE are: (1) For designated duty engineer of steam and/or motor vessels of...

  8. 46 CFR 11.524 - Service requirements for designated duty engineer of steam and/or motor vessels.

    Code of Federal Regulations, 2011 CFR

    2011-10-01

    ... steam and/or motor vessels. 11.524 Section 11.524 Shipping COAST GUARD, DEPARTMENT OF HOMELAND SECURITY... Engineer Officer § 11.524 Service requirements for designated duty engineer of steam and/or motor vessels... requirements for endorsements as DDE are: (1) For designated duty engineer of steam and/or motor vessels of...

  9. An exact approach for studying cargo transport by an ensemble of molecular motors

    PubMed Central

    2013-01-01

    Background Intracellular transport is crucial for many cellular processes where a large fraction of the cargo is transferred by motor-proteins over a network of microtubules. Malfunctions in the transport mechanism underlie a number of medical maladies. Existing methods for studying how motor-proteins coordinate the transfer of a shared cargo over a microtubule are either analytical or are based on Monte-Carlo simulations. Approaches that yield analytical results, while providing unique insights into transport mechanism, make simplifying assumptions, where a detailed characterization of important transport modalities is difficult to reach. On the other hand, Monte-Carlo based simulations can incorporate detailed characteristics of the transport mechanism; however, the quality of the results depend on the number and quality of simulation runs used in arriving at results. Here, for example, it is difficult to simulate and study rare-events that can trigger abnormalities in transport. Results In this article, a semi-analytical methodology that determines the probability distribution function of motor-protein behavior in an exact manner is developed. The method utilizes a finite-dimensional projection of the underlying infinite-dimensional Markov model, which retains the Markov property, and enables the detailed and exact determination of motor configurations, from which meaningful inferences on transport characteristics of the original model can be derived. Conclusions Under this novel probabilistic approach new insights about the mechanisms of action of these proteins are found, suggesting hypothesis about their behavior and driving the design and realization of new experiments. The advantages provided in accuracy and efficiency make it possible to detect rare events in the motor protein dynamics, that could otherwise pass undetected using standard simulation methods. In this respect, the model has allowed to provide a possible explanation for possible mechanisms

  10. Design and performance testing of an ultrasonic linear motor with dual piezoelectric actuators.

    PubMed

    Smithmaitrie, Pruittikorn; Suybangdum, Panumas; Laoratanakul, Pitak; Muensit, Nantakan

    2012-05-01

    In this work, design and performance testing of an ultrasonic linear motor with dual piezoelectric actuator patches are studied. The motor system consists of a linear stator, a pre-load weight, and two piezoelectric actuator patches. The piezoelectric actuators are bonded with the linear elastic stator at specific locations. The stator generates propagating waves when the piezoelectric actuators are subjected to harmonic excitations. Vibration characteristics of the linear stator are analyzed and compared with finite element and experimental results. The analytical, finite element, and experimental results show agreement. In the experiments, performance of the ultrasonic linear motor is tested. Relationships between velocity and pre-load weight, velocity and applied voltage, driving force and applied voltage, and velocity and driving force are reported. The design of the dual piezoelectric actuators yields a simpler structure with a smaller number of actuators and lower stator stiffness compared with a conventional design of an ultrasonic linear motor with fully laminated piezoelectric actuators.

  11. Design of single-phase driven screw-thread-type ultrasonic motor

    NASA Astrophysics Data System (ADS)

    Chang, Lien-Kai; Tsai, Mi-Ching

    2016-05-01

    Most screw-thread-type ultrasonic motors are designed to be two-phase driven. This paper aims to present a novel single phase driven design that generates the required wobble motion, thus significantly simplifying the driving circuit of the ultrasonic motor. The proposed single-phase driven screw-thread-type ultrasonic motor works with two orthogonal bending modes generated by an asymmetric stator design. The novel stator design can improve the vibration displacement and further enhance the performance of the single phase driven motor. The vibration characteristics of the asymmetric stator structure were analyzed by ANSYS finite element analysis software. Based on the design and analysis processes, a prototype of the desired screw-thread-type ultrasonic motor was fabricated and tested. When the operating voltage is 200 Vpp, the obtained main characteristics of the proposed motor are as follows: the working frequency is between 28.3 and 29.5 kHz; the maximum no-load velocity is approximately 4.1 mm s-1; and the thrust force is 1.6 N.

  12. Design of single-phase driven screw-thread-type ultrasonic motor.

    PubMed

    Chang, Lien-Kai; Tsai, Mi-Ching

    2016-05-01

    Most screw-thread-type ultrasonic motors are designed to be two-phase driven. This paper aims to present a novel single phase driven design that generates the required wobble motion, thus significantly simplifying the driving circuit of the ultrasonic motor. The proposed single-phase driven screw-thread-type ultrasonic motor works with two orthogonal bending modes generated by an asymmetric stator design. The novel stator design can improve the vibration displacement and further enhance the performance of the single phase driven motor. The vibration characteristics of the asymmetric stator structure were analyzed by ANSYS finite element analysis software. Based on the design and analysis processes, a prototype of the desired screw-thread-type ultrasonic motor was fabricated and tested. When the operating voltage is 200 Vpp, the obtained main characteristics of the proposed motor are as follows: the working frequency is between 28.3 and 29.5 kHz; the maximum no-load velocity is approximately 4.1 mm s(-1); and the thrust force is 1.6 N.

  13. Design of a Subscale Propellant Slag Evaluation Motor Using Two-Phase Fluid Dynamic Analysis

    NASA Technical Reports Server (NTRS)

    Whitesides, R. Harold; Dill, Richard A.; Purinton, David C.; Sambamurthi, Jay K.

    1996-01-01

    Small pressure perturbations in the Space Shuttle Reusable Solid Rocket Motor (RSRM) are caused by the periodic expulsion of molten aluminum oxide slag from a pool that collects in the aft end of the motor around the submerged nozzle nose during the last half of motor operation. It is suspected that some motors produce more slag than others due to differences in aluminum oxide agglomerate particle sizes that may relate to subtle differences in propellant ingredient characteristics such as particle size distributions or processing variations. A subscale motor experiment was designed to determine the effect of propellant ingredient characteristics on the propensity for slag production. An existing 5 inch ballistic test motor was selected as the basic test vehicle. The standard converging/diverging nozzle was replaced with a submerged nose nozzle design to provide a positive trap for the slag that would increase the measured slag weights. Two-phase fluid dynamic analyses were performed to develop a nozzle nose design that maintained similitude in major flow field features with the full scale RSRM. The 5 inch motor was spun about its longitudinal axis to further enhance slag collection and retention. Two-phase flow analysis was used to select an appropriate spin rate along with other considerations, such as avoiding bum rate increases due to radial acceleration effects. Aluminum oxide particle distributions used in the flow analyses were measured in a quench bomb for RSRM type propellants with minor variations in ingredient characteristics. Detailed predictions for slag accumulation weights during motor bum compared favorably with slag weight data taken from defined zones in the subscale motor and nozzle. The use of two-phase flow analysis proved successful in gauging the viability of the experimental program during the planning phase and in guiding the design of the critical submerged nose nozzle.

  14. Synchronization controller design of two coupling permanent magnet synchronous motors system with nonlinear constraints.

    PubMed

    Deng, Zhenhua; Shang, Jing; Nian, Xiaohong

    2015-11-01

    In this paper, two coupling permanent magnet synchronous motors system with nonlinear constraints is studied. First of all, the mathematical model of the system is established according to the engineering practices, in which the dynamic model of motor and the nonlinear coupling effect between two motors are considered. In order to keep the two motors synchronization, a synchronization controller based on load observer is designed via cross-coupling idea and interval matrix. Moreover, speed, position and current signals of two motor all are taken as self-feedback signal as well as cross-feedback signal in the proposed controller, which is conducive to improving the dynamical performance and the synchronization performance of the system. The proposed control strategy is verified by simulation via Matlab/Simulink program. The simulation results show that the proposed control method has a better control performance, especially synchronization performance, than that of the conventional PI controller.

  15. Design verification programme for an air-to-air type rocket motor with CFRP composite case and reduced smoke propellant

    NASA Astrophysics Data System (ADS)

    Fossumstuen, Kai; Raudsandmoen, Geir; Heie, Ingar H.; Wurtinger, Horst

    1993-06-01

    A design verification program was performed for an air-to-air type rocket motor, having a carbon fiber reinforced epoxy motor case and reduced smoke, nitramine containing, composite propellant. Structural design of the motor case is presented, including choice of material and method of attaching metal parts. Structural tests, including environmental and handling damage tests, of the motor case were performed. On the complete motor, design verification work was performed for insulation, bonding, propellant properties, grain design and motor case behavior. Six flight-weight motors were tested, including firing at extreme temperatures, environmental loads, firing with launch bending moment, ageing and pressure pulsing. Two motors were also used for insensitive munition tests, fast cook-off and bullet impact. Some performance data that are classified, have been omitted.

  16. Molecular genetics of myosin motors in Arabidopsis. Final report, July 1, 1992--June 30, 1996

    SciTech Connect

    Schiefelbein, J.

    1997-02-01

    The normal growth and development of plant cells depends on the precise organization and distribution of the cellular contents. The basic goal of this investigation was to define a group of the molecules that are involved in organizing and transporting plant cell components. Based largely on studies of animal and fungal cells, one of the molecules thought to be involved in intracellular trafficking in plants is the actin-based motor protein myosin. Therefore, the major aim of this study was to isolate and analyze plant genes encoding myosin proteins. The plant of choice for these experiments was Arabidopsis thaliana, which offers numerous advantages for molecular genetics research.

  17. Large-scale hybrid motor performance and designs for use in launch vehicle applications

    NASA Astrophysics Data System (ADS)

    Flittie, K. J.; Estey, P.

    1993-11-01

    The American Rocket Company has developed two large-scale liquid oxygen/polybutadiene hybrid rocket motors at 334,000 N (75,000 lbf) and 1,112,000 N (250,000 lbf) thrust. These hybrid rocket motors or derivatives of these motors can be used as strap-on boosters to replace or upgrade the existing strap-on boosters for the fleet of U.S. launch vehicles and for the planned next generation launch vehicle. Hybrid rocket boosters offer a new solution for boost propulsion since hybrids solve many of the safety and environmental concerns facing solid rocket motor manufacture and operation, yet deliver performance comparable to liquid rocket engines with much less hardware and operational complexity. This paper presents motor performance data from AMROC's 334,000 N and 1,112,000 N thrust hybrid rocket motors. A description of these hybrid motors, their performance specifications, and the key enabling technologies that have been developed at AMROC is presented. The design and development approach for an 850K thrust hybrid motor is described.

  18. Cloning, expression, and characterization of a novel molecular motor, Leishmania myosin-XXI.

    PubMed

    Batters, Christopher; Woodall, Katy A; Toseland, Christopher P; Hundschell, Christian; Veigel, Claudia

    2012-08-10

    The genome of the Leishmania parasite contains two classes of myosin. Myosin-XXI, seemingly the only myosin isoform expressed in the protozoan parasite, has been detected in both the promastigote and amastigote stages of the Leishmania life cycle. It has been suggested to perform a variety of functions, including roles in membrane anchorage, but also long-range directed movements of cargo. However, nothing is known about the biochemical or mechanical properties of this motor. Here we designed and expressed various myosin-XXI constructs using a baculovirus expression system. Both full-length (amino acids 1-1051) and minimal motor domain constructs (amino acids 1-800) featured actin-activated ATPase activity. Myosin-XXI was soluble when expressed either with or without calmodulin. In the presence of calcium (pCa 4.1) the full-length motor could bind a single calmodulin at its neck domain (probably amino acids 809-823). Calmodulin binding was required for motility but not for ATPase activity. Once bound, calmodulin remained stably attached independent of calcium concentration (pCa 3-7). In gliding filament assays, myosin-XXI moved actin filaments at ∼15 nm/s, insensitive to both salt (25-1000 mm KCl) and calcium concentrations (pCa 3-7). Calmodulin binding to the neck domain might be involved in regulating the motility of the myosin-XXI motor for its various cellular functions in the different stages of the Leishmania parasite life cycle. PMID:22718767

  19. Design of high precision motor driving system for circular scanning ultrasonic endoscopic imaging equipment

    NASA Astrophysics Data System (ADS)

    Deng, Haoran; Bai, Baoping; Chen, Xiaodong; Zhao, Qiang; Li, Yanan; Wang, Yi; Yu, Daoyin

    2013-12-01

    This paper describes the development of a motor driving system for circular scanning ultrasonic endoscopic imaging equipment. It was designed to guarantee the motor rotating at a relatively constant speed in load fluctuation conditions, which result from the bending and twisting of the flexible shaft which connects the probe to the motor. A hardware feedback circuit based on Frequency-To-Voltage Converter LM331 and Step-Down Voltage Regulator LM2576-ADJ was designed to ensure steady rotation of motor in load fluctuation conditions, and a D/A module offered by MCU was used to regulate the real-time rotary speed. The feedback response cycle is about 20 μs according to theoretical analysis. Experimental results show that the maximum error is +/-1 r/min under the normal running environment (300 ~1500 r/min) and load fluctuation conditions, which means the average instability is reduced to 0.11% as compared with that of the motor drive simply based on MCU which is 0.94%. Both theoretical analysis and experimental results indicate that the motor driving system has high accuracy, fast response, excellent reliability and good versatility and portability, and can precisely guarantee the smooth movement of load-changing PMW (Pulse Width Modulation) motor, so as to ensure the imaging quality, and can effectively improve the efficiency and accuracy of the diagnosis.

  20. Fast axonal transport of the proteasome complex depends on membrane interaction and molecular motor function.

    PubMed

    Otero, Maria G; Alloatti, Matías; Cromberg, Lucas E; Almenar-Queralt, Angels; Encalada, Sandra E; Pozo Devoto, Victorio M; Bruno, Luciana; Goldstein, Lawrence S B; Falzone, Tomás L

    2014-04-01

    Protein degradation by the ubiquitin-proteasome system in neurons depends on the correct delivery of the proteasome complex. In neurodegenerative diseases, aggregation and accumulation of proteins in axons link transport defects with degradation impairments; however, the transport properties of proteasomes remain unknown. Here, using in vivo experiments, we reveal the fast anterograde transport of assembled and functional 26S proteasome complexes. A high-resolution tracking system to follow fluorescent proteasomes revealed three types of motion: actively driven proteasome axonal transport, diffusive behavior in a viscoelastic axonema and proteasome-confined motion. We show that active proteasome transport depends on motor function because knockdown of the KIF5B motor subunit resulted in impairment of the anterograde proteasome flux and the density of segmental velocities. Finally, we reveal that neuronal proteasomes interact with intracellular membranes and identify the coordinated transport of fluorescent proteasomes with synaptic precursor vesicles, Golgi-derived vesicles, lysosomes and mitochondria. Taken together, our results reveal fast axonal transport as a new mechanism of proteasome delivery that depends on membrane cargo 'hitch-hiking' and the function of molecular motors. We further hypothesize that defects in proteasome transport could promote abnormal protein clearance in neurodegenerative diseases.

  1. Affinity of molecular interactions in the bacteriophage φ29 DNA packaging motor

    PubMed Central

    Robinson, Mark A.; Wood, Jonathan P.A.; Capaldi, Stephanie A.; Baron, Andrew J.; Gell, Christopher; Smith, D. Alastair; Stonehouse, Nicola J.

    2006-01-01

    DNA packaging in the bacteriophage φ29 involves a molecular motor with protein and RNA components, including interactions between the viral connector protein and molecules of pRNA, both of which form multimeric complexes. Data are presented to demonstrate the higher order assembly of pRNA together with the affinity of pRNA:pRNA and pRNA:connector interactions, which are used to propose a model for motor function. In solution, pRNA can form dimeric and trimeric multimers in a magnesium-dependent manner, with dissociation constants for multimerization in the micromolar range. pRNA:connector binding is also facilitated by the presence of magnesium ions, with a nanomolar apparent dissociation constant for the interaction. From studies with a mutant pRNA, it appears that multimerization of pRNA is not essential for connector binding and it is likely that connector protein is involved in the stabilization of higher order RNA multimers. It is proposed that magnesium ions may promote conformational change that facilitate pRNA:connector interactions, essential for motor function. PMID:16714447

  2. Affinity of molecular interactions in the bacteriophage phi29 DNA packaging motor.

    PubMed

    Robinson, Mark A; Wood, Jonathan P A; Capaldi, Stephanie A; Baron, Andrew J; Gell, Christopher; Smith, D Alastair; Stonehouse, Nicola J

    2006-01-01

    DNA packaging in the bacteriophage phi29 involves a molecular motor with protein and RNA components, including interactions between the viral connector protein and molecules of pRNA, both of which form multimeric complexes. Data are presented to demonstrate the higher order assembly of pRNA together with the affinity of pRNA:pRNA and pRNA:connector interactions, which are used to propose a model for motor function. In solution, pRNA can form dimeric and trimeric multimers in a magnesium-dependent manner, with dissociation constants for multimerization in the micromolar range. pRNA:connector binding is also facilitated by the presence of magnesium ions, with a nanomolar apparent dissociation constant for the interaction. From studies with a mutant pRNA, it appears that multimerization of pRNA is not essential for connector binding and it is likely that connector protein is involved in the stabilization of higher order RNA multimers. It is proposed that magnesium ions may promote conformational change that facilitate pRNA:connector interactions, essential for motor function.

  3. Automatic Molecular Design using Evolutionary Techniques

    NASA Technical Reports Server (NTRS)

    Globus, Al; Lawton, John; Wipke, Todd; Saini, Subhash (Technical Monitor)

    1998-01-01

    Molecular nanotechnology is the precise, three-dimensional control of materials and devices at the atomic scale. An important part of nanotechnology is the design of molecules for specific purposes. This paper describes early results using genetic software techniques to automatically design molecules under the control of a fitness function. The fitness function must be capable of determining which of two arbitrary molecules is better for a specific task. The software begins by generating a population of random molecules. The population is then evolved towards greater fitness by randomly combining parts of the better individuals to create new molecules. These new molecules then replace some of the worst molecules in the population. The unique aspect of our approach is that we apply genetic crossover to molecules represented by graphs, i.e., sets of atoms and the bonds that connect them. We present evidence suggesting that crossover alone, operating on graphs, can evolve any possible molecule given an appropriate fitness function and a population containing both rings and chains. Prior work evolved strings or trees that were subsequently processed to generate molecular graphs. In principle, genetic graph software should be able to evolve other graph representable systems such as circuits, transportation networks, metabolic pathways, computer networks, etc.

  4. Mouse Myosin-19 Is a Plus-end-directed, High-duty Ratio Molecular Motor*

    PubMed Central

    Lu, Zekuan; Ma, Xiao-Nan; Zhang, Hai-Man; Ji, Huan-Hong; Ding, Hao; Zhang, Jie; Luo, Dan; Sun, Yujie; Li, Xiang-dong

    2014-01-01

    Class XIX myosin (Myo19) is a vertebrate-specific unconventional myosin, responsible for the transport of mitochondria. To characterize biochemical properties of Myo19, we prepared recombinant mouse Myo19-truncated constructs containing the motor domain and the IQ motifs using the baculovirus/Sf9 expression system. We identified regulatory light chain (RLC) of smooth muscle/non-muscle myosin-2 as the light chain of Myo19. The actin-activated ATPase activity and the actin-gliding velocity of Myo19-truncated constructs were about one-third and one-sixth as those of myosin-5a, respectively. The apparent affinity of Myo19 to actin was about the same as that of myosin-5a. The RLCs bound to Myo19 could be phosphorylated by myosin light chain kinase, but this phosphorylation had little effect on the actin-activated ATPase activity and the actin-gliding activity of Myo19-truncated constructs. Using dual fluorescence-labeled actin filaments, we determined that Myo19 is a plus-end-directed molecular motor. We found that, similar to that of the high-duty ratio myosin, such as myosin-5a, ADP release rate was comparable with the maximal actin-activated ATPase activity of Myo19, indicating that ADP release is a rate-limiting step for the ATPase cycle of acto-Myo19. ADP strongly inhibited the actin-activated ATPase activity and actin-gliding activity of Myo19-truncated constructs. Based on the above results, we concluded that Myo19 is a high-duty ratio molecular motor moving to the plus-end of the actin filament. PMID:24825904

  5. Design and test of a four channel motor for electromechanical flight control actuation

    NASA Technical Reports Server (NTRS)

    1984-01-01

    To provide a suitable electromagnetic torque summing approach to flight control system redundancy, a four channel motor capable of sustaining full performance after any two credible failures was designed, fabricated, and tested. The design consists of a single samarium cobalt permanent magnet rotor with four separate three phase windings arrayed in individual stator quadrants around the periphery. Trade studies established the sensitivities of weight and performance to such parameters as design speed, winding pattern, number of poles, magnet configuration, and strength. The motor electromagnetically sums the torque of the individual channels on a single rotor and eliminate complex mechanical gearing arrangements.

  6. A Controlled Single Subject Research Design Utilizing a Sensory Motor Intervention System.

    ERIC Educational Resources Information Center

    Cowden, Joey

    The study investigated and recorded changes in selected psychomotor skills of an 11-year old gifted male with severe motoric problems identified as dysgraphia. A pre-post test design using videotape evaluation recordings was employed to determine changes in psychomotor performance, and a rating scale was designed to establish baseline and…

  7. A QTAIM and stress tensor investigation of the torsion path of a light-driven fluorene molecular rotary motor.

    PubMed

    Hu, Ming Xing; Xu, Tianlv; Momen, Roya; Huan, Guo; Kirk, Steven R; Jenkins, Samantha; Filatov, Michael

    2016-11-01

    The utility of the QTAIM/stress tensor analysis method for characterizing the photoisomerization of light driven molecular rotary machines is investigated on the example of the torsion path in fluorene molecular motor. The scalar and vector descriptors of QTAIM/stress tensor reveal additional information on the bonding interactions between the rotating units of the motor, which cannot be obtained from the analysis of the ground and excited state potential energy surfaces. The topological features of the fluorene motor molecular graph display that, upon the photoexcitation a certain increase in the torsional stiffness of the rotating bond can be attributed to the increasing topological stability of the rotor carbon atom attached to the rotation axle. The established variations in the torsional stiffness of the rotating bond may cause transfer of certain fraction of the torsional energy to other internal degrees of freedom, such as the pyramidalization distortion. © 2016 Wiley Periodicals, Inc. PMID:27671359

  8. Design and performance analysis of a rotary traveling wave ultrasonic motor with double vibrators.

    PubMed

    Dong, Zhaopeng; Yang, Ming; Chen, Zhangqi; Xu, Liang; Meng, Fan; Ou, Wenchu

    2016-09-01

    This paper presents the development of a rotary traveling wave ultrasonic motor, in which a vibrating stator and vibrating rotor are combined in one motor. The stator and rotor are designed as similar structures an elastic body and a piezoelectric ceramic ring. In exciting of the piezoelectric ceramics, the elastic body of the stator and rotor will generate respective traveling waves, which force each other forward in the contact zone. Based on the elliptical rule of particle motion and matching principle of vibration, the design rules of two vibrators are determined. The finite element method is used to design the sizes of vibrators to ensure that they operate in resonance, and the simulation is verified by measuring the vibration with an impedance analyzer. It is found out that to maintain an appropriate contact between the stator and rotor, two vibrators need to be designed with close resonance frequencies, different vibration amplitudes, and be driven by an identical driving frequency. To analyze this innovative contact mechanism, particle velocity synthesis theory and contact force analysis using Hertz contact model are carried out. Finally, a prototype is fabricated and tested to verify the theoretical results. The test results show that the output performance of the motor driven by the two vibrators is significantly improved compared to the motor driven by a sole stator or rotor, which confirms the validity of the double-vibrator motor concept.

  9. Design and performance analysis of a rotary traveling wave ultrasonic motor with double vibrators.

    PubMed

    Dong, Zhaopeng; Yang, Ming; Chen, Zhangqi; Xu, Liang; Meng, Fan; Ou, Wenchu

    2016-09-01

    This paper presents the development of a rotary traveling wave ultrasonic motor, in which a vibrating stator and vibrating rotor are combined in one motor. The stator and rotor are designed as similar structures an elastic body and a piezoelectric ceramic ring. In exciting of the piezoelectric ceramics, the elastic body of the stator and rotor will generate respective traveling waves, which force each other forward in the contact zone. Based on the elliptical rule of particle motion and matching principle of vibration, the design rules of two vibrators are determined. The finite element method is used to design the sizes of vibrators to ensure that they operate in resonance, and the simulation is verified by measuring the vibration with an impedance analyzer. It is found out that to maintain an appropriate contact between the stator and rotor, two vibrators need to be designed with close resonance frequencies, different vibration amplitudes, and be driven by an identical driving frequency. To analyze this innovative contact mechanism, particle velocity synthesis theory and contact force analysis using Hertz contact model are carried out. Finally, a prototype is fabricated and tested to verify the theoretical results. The test results show that the output performance of the motor driven by the two vibrators is significantly improved compared to the motor driven by a sole stator or rotor, which confirms the validity of the double-vibrator motor concept. PMID:27336793

  10. Characteristic analysis and shape optimal design of a ring-type traveling wave ultrasonic motor

    NASA Astrophysics Data System (ADS)

    Ro, Jong-Suk; Yi, Kyung-Pyo; Chung, Tae-Kyung; Jung, Hyun-Kyo

    2013-07-01

    The contact mechanism should be analyzed for an estimation of the performance of a traveling wave ultra-sonic motor (TWUSM), because the operation of this type of motor depends on the frictional force between the rotor and the stator. However, the nonlinearity of the contact mechanism of the TWUSM makes it difficult to proposed a proper contact model, a characteristic analysis method and an optimal design method. To address these problems, a characteristic analysis and optimal design method using a cylindrical dynamic contact model (CDCM), an analytical method, a numerical method and an evolutionary strategy algorithm (ESA) is proposed in this research. The feasibility and usefulness of the proposed characteristic analysis and optimal design method are verified through experimental data. Furthermore, the importance of the shape of the teeth and the reason for the improvement of motor performances by the chamfering at the teeth are proposed and verified in this paper.

  11. Synthetic Molecular Motors: Thermal N Inversion and Directional Photoinduced C=N Bond Rotation of Camphorquinone Imines.

    PubMed

    Greb, Lutz; Eichhöfer, Andreas; Lehn, Jean-Marie

    2015-11-23

    The thermal and photochemical E/Z isomerization of camphorquinone-derived imines was studied by a combination of kinetic, structural, and computational methods. The thermal isomerization proceeds by linear N inversion, whereas the photoinduced process occurs through C=N bond rotation with preferred directionality as a result of diastereoisomerism. Thereby, these imines are arguably the simplest example of synthetic molecular motors. The generality of the orthogonal trajectories of the thermal and photochemical pathways allows for the postulation that every suitable chiral imine qualifies, in principle, as a molecular motor driven by light or heat.

  12. 46 CFR 11.524 - Service requirements for national endorsement as designated duty engineer (DDE) of steam, motor...

    Code of Federal Regulations, 2014 CFR

    2014-10-01

    ... qualified member of the engine department or equivalent position; (2) For designated duty engineer of steam... engine department or equivalent position; and (3) For designated duty engineer of steam, motor, and/or... designated duty engineer (DDE) of steam, motor, and/or gas turbine-propelled vessels. 11.524 Section...

  13. Elastic properties of dynein motor domain obtained from all-atom molecular dynamics simulations

    PubMed Central

    Kamiya, Narutoshi; Mashimo, Tadaaki; Takano, Yu; Kon, Takahide; Kurisu, Genji; Nakamura, Haruki

    2016-01-01

    Dyneins are large microtubule motor proteins that convert ATP energy to mechanical power. High-resolution crystal structures of ADP-bound cytoplasmic dynein have revealed the organization of the motor domain, comprising the AAA+ ring, the linker, the stalk/strut and the C sequence. Recently, the ADP.vanadate-bound structure, which is similar to the ATP hydrolysis transition state, revealed how the structure of dynein changes upon ATP binding. Although both the ADP- and ATP-bound state structures have been resolved, the dynamic properties at the atomic level remain unclear. In this work, we built two models named ‘the ADP model’ and ‘the ATP model’, where ADP and ATP are bound to AAA1 in the AAA+ ring, respectively, to observe the initial procedure of the structural change from the unprimed to the primed state. We performed 200-ns molecular dynamics simulations for both models and compared their structures and dynamics. The motions of the stalk, consisting of a long coiled coil with a microtubule-binding domain, significantly differed between the two models. The elastic properties of the stalk were analyzed and compared with the experimental results. PMID:27334455

  14. Elastic properties of dynein motor domain obtained from all-atom molecular dynamics simulations.

    PubMed

    Kamiya, Narutoshi; Mashimo, Tadaaki; Takano, Yu; Kon, Takahide; Kurisu, Genji; Nakamura, Haruki

    2016-08-01

    Dyneins are large microtubule motor proteins that convert ATP energy to mechanical power. High-resolution crystal structures of ADP-bound cytoplasmic dynein have revealed the organization of the motor domain, comprising the AAA(+) ring, the linker, the stalk/strut and the C sequence. Recently, the ADP.vanadate-bound structure, which is similar to the ATP hydrolysis transition state, revealed how the structure of dynein changes upon ATP binding. Although both the ADP- and ATP-bound state structures have been resolved, the dynamic properties at the atomic level remain unclear. In this work, we built two models named 'the ADP model' and 'the ATP model', where ADP and ATP are bound to AAA1 in the AAA(+) ring, respectively, to observe the initial procedure of the structural change from the unprimed to the primed state. We performed 200-ns molecular dynamics simulations for both models and compared their structures and dynamics. The motions of the stalk, consisting of a long coiled coil with a microtubule-binding domain, significantly differed between the two models. The elastic properties of the stalk were analyzed and compared with the experimental results. PMID:27334455

  15. Reaction-diffusion-advection approach to spatially localized treadmilling aggregates of molecular motors

    NASA Astrophysics Data System (ADS)

    Yochelis, Arik; Bar-On, Tomer; Gov, Nir S.

    2016-04-01

    Unconventional myosins belong to a class of molecular motors that walk processively inside cellular protrusions towards the tips, on top of actin filament. Surprisingly, in addition, they also form retrograde moving self-organized aggregates. The qualitative properties of these aggregates are recapitulated by a mass conserving reaction-diffusion-advection model and admit two distinct families of modes: traveling waves and pulse trains. Unlike the traveling waves that are generated by a linear instability, pulses are nonlinear structures that propagate on top of linearly stable uniform backgrounds. Asymptotic analysis of isolated pulses via a simplified reaction-diffusion-advection variant on large periodic domains, allows to draw qualitative trends for pulse properties, such as the amplitude, width, and propagation speed. The results agree well with numerical integrations and are related to available empirical observations.

  16. Optimization of brushless direct current motor design using an intelligent technique.

    PubMed

    Shabanian, Alireza; Tousiwas, Armin Amini Poustchi; Pourmandi, Massoud; Khormali, Aminollah; Ataei, Abdolhay

    2015-07-01

    This paper presents a method for the optimal design of a slotless permanent magnet brushless DC (BLDC) motor with surface mounted magnets using an improved bee algorithm (IBA). The characteristics of the motor are expressed as functions of motor geometries. The objective function is a combination of losses, volume and cost to be minimized simultaneously. This method is based on the capability of swarm-based algorithms in finding the optimal solution. One sample case is used to illustrate the performance of the design approach and optimization technique. The IBA has a better performance and speed of convergence compared with bee algorithm (BA). Simulation results show that the proposed method has a very high/efficient performance.

  17. Design, modeling and control of a novel multi functional translational-rotary micro ultrasonic motor

    NASA Astrophysics Data System (ADS)

    Tuncdemir, Safakcan

    The major goal of this thesis was to design and develop an actuator, which is capable of producing translational and rotary output motions in a compact structure with simple driving conditions, for the needs of small-scale actuators for micro robotic systems. Piezoelectric ultrasonic motors were selected as the target actuator schemes because of their unbeatable characteristics in the meso-scale range, which covers the structure sizes from hundred micrometers to ten millimeters and with operating ranges from few nanometers to centimeters. In order to meet the objectives and the design constraints, a number of key research tasks had to be undertaken. The design constraints and objectives were so stringent and entangled that none of the existing methods in literature could solve the research problems individually. Therefore, several unique methods were established to accomplish the research objectives. The methods produced novel solutions at every stage of design, development and modeling of the multi functional micro ultrasonic motor. Specifically, an ultrasonic motor utilizing slanted ceramics on a brass rod was designed. Because of the unique slanted ceramics design, longitudinal and torsional mode vibration modes could be obtained on the same structure. A ring shaped mobile element was loosely fitted on the metal rod stator. The mobile element moved in translational or rotational, depending on whether the vibration mode was longitudinal or torsional. A new ultrasonic motor drive method was required because none of the existing ultrasonic motor drive techniques were able to provide both output modes in a compact and cylindrical structure with the use of single drive source. By making use of rectangular wave drive signals, saw-tooth shaped displacement profile could be obtained at longitudinal and torsional resonance modes. Thus, inheriting the operating principle of smooth impact drive method, a new resonance type inertial drive was introduced. This new technique

  18. Specific Transformation of Assembly with Actin Filaments and Molecular Motors in a Cell-Sized Self-Emerged Liposome

    NASA Astrophysics Data System (ADS)

    Takiguchi, Kingo; Negishi, Makiko; Tanaka-Takiguchi, Yohko; Hayashi, Masahito; Yoshikawa, Kenichi

    2014-12-01

    Eukaryotes, by the same combination of cytoskeleton and molecular motor, for example actin filament and myosin, can generate a variety of movements. For this diversity, the organization of biological machineries caused by the confinement and/or crowding effects of internal living cells, may play very important roles.

  19. The Utilization of Sensori-motor Experiences for Introducing Young Pupils to Molecular Motion: A Report of a Pilot Study.

    ERIC Educational Resources Information Center

    Hadzigeorgiou, Yannis

    2002-01-01

    Does a sensori-motor experience help a physics student understand the movement of molecules in solids, liquids, and gases? Students aged 9-10 were given either traditional demonstrations of solids, liquids, and gases and the variation of molecular motion with temperature (iconic presentation), or they were involved in physical activities as they…

  20. Controlled Directional Motions of Molecular Vehicles, Rotors, and Motors: From Metallic to Silicon Surfaces, a Strategy to Operate at Higher Temperatures.

    PubMed

    Chérioux, Frédéric; Galangau, Olivier; Palmino, Frank; Rapenne, Gwénaël

    2016-06-17

    In the last decade, many nanomachines with controlled molecular motions have been studied, mainly on metallic surfaces, which are easy to obtain very clean, and are stable over months. However, the studies of mechanical properties of nanomachines are mainly performed at very low temperatures, usually between 5 and 80 K, which prevents any kind of applications. In this Minireview, we will present our strategy to operate at higher temperatures, in particular through the use of semiconducting silicon surfaces. We also review our best achievements in the field through some examples of rotating molecular machines that have been designed, synthesized, and studied in our groups. On metallic surfaces, the nanovehicles are molecules with two or four triptycenes as wheels and the molecular motor is built around a ruthenium organometallic center with a piano-stool geometry and peripheric ferrocenyl groups. On semiconducting silicon surfaces, vehicles are also made from triptycene fragments and the rotor is a pentaphenylbenzene molecule.

  1. Techniques for Molecular Imaging Probe Design

    PubMed Central

    Reynolds, Fred; Kelly, Kimberly A.

    2011-01-01

    Molecular imaging allows clinicians to visualize disease specific molecules, thereby providing relevant information in the diagnosis and treatment of patients. With advances in genomics and proteomics and underlying mechanisms of disease pathology, the number of targets identified has significantly outpaced the number of developed molecular imaging probes. There has been a concerted effort to bridge this gap with multidisciplinary efforts in chemistry, proteomics, physics, material science, and biology; all essential to progress in molecular imaging probe development. In this review, we will discuss target selection, screening techniques and probe optimization with the aim of developing clinically relevant molecularly targeted imaging agents. PMID:22201532

  2. Structural design optimization of racing motor boat based on nonlinear finite element analysis

    NASA Astrophysics Data System (ADS)

    Song, Ha Cheol; Kim, Tae-Jun; Jang, Chang Doo

    2010-12-01

    Since 1980's, optimum design techniques for ship structural design have been developed to the preliminary design which aims at minimum weight or minimum cost design of mid-ship section based on analytic structural analysis. But the optimum structural design researches about the application for the detail design of local structure based on FEA have been still insufficient. This paper presents optimization technique for the detail design of a racing motor boat. To improve the performance and reduce the damage of a real existing racing boat, direct structural analyses; static and non-linear transient dynamic analyses, were carried out to check the constraints of minimum weight design. As a result, it is shown that the optimum structural design of a racing boat has to be focused on reducing impulse response from pitching motion than static response because the dynamic effect is more dominant. Optimum design algorithm based on nonlinear finite element analysis for a racing motor boat was developed and coded to ANSYS, and its applicability for actual structural design was verifed.

  3. Study on the Ring Type Stator Design Technique for a Traveling Wave Rotary Type Ultrasonic Motor

    NASA Astrophysics Data System (ADS)

    Oh, Jin-Heon; Yuk, Hyung-Sang; Lim, Kee-Joe

    2012-09-01

    In this paper, the technique of design for the stator of traveling wave rotary type ultrasonic motor was proposed. To establish the design technique, the distribution of internal stresses of the stator was analyzed by applying the cylindrical bodies contact model of Hertz theory and the concept of “horn effect” was used to consider the influence of the projection structure. To verify the proposed technique, the prototype motor was fabricated on the authority of the projection shape dimension and the design specification. And its performance was evaluated. According to the estimate production of the experiment results using the extrapolation, we confirmed that the values obtained through the verification experiment were similar to those deduced by the proposed method properly.

  4. Designing conical intersections for light-driven single molecule rotary motors: from precessional to axial motion.

    PubMed

    Filatov, Michael; Olivucci, Massimo

    2014-04-18

    In the past, the design of light-driven single molecule rotary motors has been mainly guided by the modification of their ground-state conformational properties. Further progress in this field is thus likely to be achieved through a detailed understanding of light-induced dynamics of the system and the ways of modulating it by introducing chemical modifications. In the present theoretical work, the analysis of model organic chromophores and synthesized rotary motors is used for rationalizing the effect of electron-withdrawing heteroatoms (such as a cationic nitrogen) on the topography and branching plane of mechanistically relevant conical intersections. Such an analysis reveals how the character of rotary motion could be changed from a precessional motion to an axial rotational motion. These concepts are then used to design and build quantum chemical models of three distinct types of Schiff base rotary motors. One of these models, featuring the synthetically viable indanylidenepyrroline framework, has conical intersection structures consistent with an axial rotation not hindered by ground-state conformational barriers. It is expected that this type of motor should be capable of funneling the photon energy into specific rotary modes, thus achieving photoisomerization quantum efficiencies comparable to those seen in visual pigments.

  5. Design and testing of piezo motors for non-magnetic and/or fine positioning applications

    NASA Astrophysics Data System (ADS)

    Six, M. F.; Le Letty, R.; Seiler, R.; Coste, P.

    2005-07-01

    Piezoelectric motors offer several outstanding characteristics that may be very interesting for new scientific instruments in space applications. Piezo motors use a combination of electro-mechanical and frictional forces for generating a progressive motion; they are well suited for positioning applications because they exhibit a large force at rest without any power supply, and they often do not require any reduction gear. They are increasingly used in optical applications. Using piezo motors in space applications may become more and more relevant because of the continuous trend towards adaptive optics in future scientific payloads. In general, piezoelectric actuators are more and more used in space. Piezoelectric motors exhibit a number of advantages compared to conventional electromagnetic (stepping) motors, e.g. superior force/mass ratio, improved direct drive capability, no power supply to maintain a position, feasibility of a fully non-magnetic motor design. In this context, two complementary concepts have been designed and evaluated in the frame of ESA funded research and development activities: a resonant concept, called Rotary Piezo Actuator (RPA), a quasi-static concept, called Rotary Piezo Motor for High Precision Pointing (RPMHPP). The developed Rotary Piezo Actuator (RPA) is based on a Ultrasonic Piezo Drive (UPD) unit that drives a friction ring on the rotor part supported by a ball bearing assembly. This new motorization principle offers excellent motion dynamics and positioning accuracy combined with a high un-powered torque at standstill, and it does not rely on any magnetic features. A rotary piezo motor compliant with the requirements of a reference space application has been designed and tested. The technology remains challenging to be mastered, since the interdisciplinary aspects of the concept include, among others, drive electronics and controller design, piezo-electricity, contact mechanics and tribology. The conceptual design has lead to a

  6. A method of optimal design of single-sided linear induction motor for transit

    SciTech Connect

    Yoon, S.B.; Hur, J.; Hyun, D.S.

    1997-09-01

    An optimal design method for a single-sided linear induction motor (SLIM) for transit is described. The authors propose the method which determines the overall parameters of SLIM for transit using only the rated mechanical output. When the optimization is carried out, the slot depth is used as the initial value so that the exact slot depth is calculated iteratively from the circuit equation. The optimization problem of a SLIM design is approached by use of the sequential quadratic programming (SQP). The influence of design variables is analyzed by the rated thrust and the rated velocity respectively.

  7. Design of Targeted Cardiovascular Molecular Imaging Probes

    PubMed Central

    Anderson, Carolyn J.; Bulte, Jeff W.M.; Chen, Kai; Chen, Xiaoyuan; Khaw, Ban-An; Shokeen, Monica; Wooley, Karen L.; VanBrocklin, Henry F.

    2013-01-01

    Molecular imaging relies on the development of sensitive and specific probes coupled with imaging hardware and software to provide information about the molecular status of a disease and its response to therapy, which are important aspects of disease management. As genomic and proteomic information from a variety of cardiovascular diseases becomes available, new cellular and molecular targets will provide an imaging readout of fundamental disease processes. A review of the development and application of several cardiovascular probes is presented here. Strategies for labeling cells with superparamagnetic iron oxide nanoparticles enable monitoring of the delivery of stem cell therapies. Small molecules and biologics (e.g., proteins and antibodies) with high affinity and specificity for cell surface receptors or cellular proteins as well as enzyme substrates or inhibitors may be labeled with single-photon–emitting or positron-emitting isotopes for nuclear molecular imaging applications. Labeling of bispecific antibodies with single-photon–emitting isotopes coupled with a pretargeting strategy may be used to enhance signal accumulation in small lesions. Emerging nanomaterials will provide platforms that have various sizes and structures and that may be used to develop multimeric, multimodal molecular imaging agents to probe one or more targets simultaneously. These platforms may be chemically manipulated to afford molecules with specific targeting and clearance properties. These examples of molecular imaging probes are characteristic of the multidisciplinary nature of the extraction of advanced biochemical information that will enhance diagnostic evaluation and drug development and predict clinical outcomes, fulfilling the promise of personalized medicine and improved patient care. PMID:20395345

  8. Parallel computation with molecular-motor-propelled agents in nanofabricated networks.

    PubMed

    Nicolau, Dan V; Lard, Mercy; Korten, Till; van Delft, Falco C M J M; Persson, Malin; Bengtsson, Elina; Månsson, Alf; Diez, Stefan; Linke, Heiner; Nicolau, Dan V

    2016-03-01

    The combinatorial nature of many important mathematical problems, including nondeterministic-polynomial-time (NP)-complete problems, places a severe limitation on the problem size that can be solved with conventional, sequentially operating electronic computers. There have been significant efforts in conceiving parallel-computation approaches in the past, for example: DNA computation, quantum computation, and microfluidics-based computation. However, these approaches have not proven, so far, to be scalable and practical from a fabrication and operational perspective. Here, we report the foundations of an alternative parallel-computation system in which a given combinatorial problem is encoded into a graphical, modular network that is embedded in a nanofabricated planar device. Exploring the network in a parallel fashion using a large number of independent, molecular-motor-propelled agents then solves the mathematical problem. This approach uses orders of magnitude less energy than conventional computers, thus addressing issues related to power consumption and heat dissipation. We provide a proof-of-concept demonstration of such a device by solving, in a parallel fashion, the small instance {2, 5, 9} of the subset sum problem, which is a benchmark NP-complete problem. Finally, we discuss the technical advances necessary to make our system scalable with presently available technology.

  9. Physics of transport and traffic phenomena in biology: from molecular motors and cells to organisms

    NASA Astrophysics Data System (ADS)

    Chowdhury, Debashish; Schadschneider, Andreas; Nishinari, Katsuhiro

    2005-12-01

    Traffic-like collective movements are observed at almost all levels of biological systems. Molecular motor proteins like, for example, kinesin and dynein, which are the vehicles of almost all intra-cellular transport in eukaryotic cells, sometimes encounter traffic jam that manifests as a disease of the organism. Similarly, traffic jam of collagenase MMP-1, which moves on the collagen fibrils of the extracellular matrix of vertebrates, has also been observed in recent experiments. Novel efforts have been made to utilize some uni-cellular organisms as “micro-transporters”. Traffic-like movements of social insects like ants and termites on trails are, perhaps, more familiar in our everyday life. Experimental, theoretical and computational investigations in the last few years have led to a deeper understanding of the generic or common physical principles involved in these phenomena. In this review we critically examine the current status of our understanding, expose the limitations of the existing methods, mention open challenging questions and speculate on the possible future directions of research in this interdisciplinary area where physics meets not only chemistry and biology but also (nano-)technology.

  10. Selective cell-surface labeling of the molecular motor protein prestin

    PubMed Central

    McGuire, Ryan M.; Silberg, Jonathan J.; Pereira, Fred A.; Raphael, Robert M.

    2011-01-01

    Prestin, a multipass transmembrane protein whose N- an C-termini are localized to the cytoplasm, must be trafficked to the plasma membrane to fulfill its cellular function as a molecular motor. One challenge in studying prestin sequence-function relationships within living cells is separating the effects of amino acid substitutions on prestin trafficking, plasma membrane localization and function. To develop an approach for directly assessing prestin levels at the plasma membrane, we have investigated whether fusion of prestin to a single pass transmembrane protein results in a functional fusion protein with a surface-exposed N-terminal tag that can be detected in living cells. We find that fusion of the biotin-acceptor peptide (BAP) and transmembrane domain of the platelet-derived growth factor receptor (PDGFR) to the N-terminus of prestin-GFP yields a membrane protein that can be metabolically-labeled with biotin, trafficked to the plasma membrane, and selectively detected at the plasma membrane using fluorescently-tagged streptavidin. Furthermore, we show that the addition of a surface detectable tag and a single-pass transmembrane domain to prestin does not disrupt its voltage-sensitive activity. PMID:21651892

  11. Parallel computation with molecular-motor-propelled agents in nanofabricated networks

    PubMed Central

    Nicolau, Dan V.; Lard, Mercy; Korten, Till; van Delft, Falco C. M. J. M.; Persson, Malin; Bengtsson, Elina; Månsson, Alf; Diez, Stefan; Linke, Heiner; Nicolau, Dan V.

    2016-01-01

    The combinatorial nature of many important mathematical problems, including nondeterministic-polynomial-time (NP)-complete problems, places a severe limitation on the problem size that can be solved with conventional, sequentially operating electronic computers. There have been significant efforts in conceiving parallel-computation approaches in the past, for example: DNA computation, quantum computation, and microfluidics-based computation. However, these approaches have not proven, so far, to be scalable and practical from a fabrication and operational perspective. Here, we report the foundations of an alternative parallel-computation system in which a given combinatorial problem is encoded into a graphical, modular network that is embedded in a nanofabricated planar device. Exploring the network in a parallel fashion using a large number of independent, molecular-motor-propelled agents then solves the mathematical problem. This approach uses orders of magnitude less energy than conventional computers, thus addressing issues related to power consumption and heat dissipation. We provide a proof-of-concept demonstration of such a device by solving, in a parallel fashion, the small instance {2, 5, 9} of the subset sum problem, which is a benchmark NP-complete problem. Finally, we discuss the technical advances necessary to make our system scalable with presently available technology. PMID:26903637

  12. Parallel computation with molecular-motor-propelled agents in nanofabricated networks.

    PubMed

    Nicolau, Dan V; Lard, Mercy; Korten, Till; van Delft, Falco C M J M; Persson, Malin; Bengtsson, Elina; Månsson, Alf; Diez, Stefan; Linke, Heiner; Nicolau, Dan V

    2016-03-01

    The combinatorial nature of many important mathematical problems, including nondeterministic-polynomial-time (NP)-complete problems, places a severe limitation on the problem size that can be solved with conventional, sequentially operating electronic computers. There have been significant efforts in conceiving parallel-computation approaches in the past, for example: DNA computation, quantum computation, and microfluidics-based computation. However, these approaches have not proven, so far, to be scalable and practical from a fabrication and operational perspective. Here, we report the foundations of an alternative parallel-computation system in which a given combinatorial problem is encoded into a graphical, modular network that is embedded in a nanofabricated planar device. Exploring the network in a parallel fashion using a large number of independent, molecular-motor-propelled agents then solves the mathematical problem. This approach uses orders of magnitude less energy than conventional computers, thus addressing issues related to power consumption and heat dissipation. We provide a proof-of-concept demonstration of such a device by solving, in a parallel fashion, the small instance {2, 5, 9} of the subset sum problem, which is a benchmark NP-complete problem. Finally, we discuss the technical advances necessary to make our system scalable with presently available technology. PMID:26903637

  13. Design, manufacture and test of the composite case for ERINT-1 solid rocket motor

    NASA Astrophysics Data System (ADS)

    Mard, Francis

    1993-06-01

    SEP is in charge since 1989 of the ERINT-1 motor case and nozzle. The stringent missile weight and volume requirements coupled with the specification to provide an aerodynamically stable configuration over a very large Mach number range led to the need to develop a high-performance composite motor case. Development of this SRM case presented a variety of technical challenges that were solved by an original design: (1) integral skirts, high bending stiffness, and bending loads are required; (2) high temperature composite stiffness and loads are required up to 160 C; (3) integral fin lugs attachments high aerodynamic loading is required on fin lugs; (4) enclosed fore dome; and (5) aft-pinned joint: a large rear opening is required to cast the propellant. Structural testing in ultimate conditions confirmed the soundness of the design. Positive safety margins were demonstrated on both internal pressure and mechanical loads requirements.

  14. Prototype design of a wearable metal hydride actuator using a soft bellows for motor rehabilitation.

    PubMed

    Ino, Shuichi; Sato, Mitsuru; Hosono, Minako; Nakajima, Sawako; Yamashita, Kazuhiko; Tanaka, Toshiaki; Izumi, Takashi

    2008-01-01

    A bedside and home rehabilitation system for people with motor disabilities due to stroke or the aging process requires a human-compatible actuator with softness, low noise and a high power-to-weight ratio. To achieve these types of joint motor rehabilitation systems, we designed a wearable metal hydride (MH) actuator using a soft bellows. The purpose of the current study is the development the soft and light bellows made of a polymer laminate film for the MH actuator. As a result of experimental tests, this soft bellows weighs 20 times less and stretches 30 times longer than the metal bellows used in a conventional MH actuator, and it has hydrogen impermeability, flex durability and adequate compliance for human joints. The MH actuator using the soft bellows can drive at a slow and safe enough speed for motor rehabilitation of patients' limbs. These preliminary findings support the efficacy of an MH actuator with a soft bellows for the purpose of developing a system for motor rehabilitation or human power assist. PMID:19163451

  15. Covalent Immobilization of Microtubules on Glass Surfaces for Molecular Motor Force Measurements and Other Single-Molecule Assays

    PubMed Central

    Nicholas, Matthew P.; Rao, Lu; Gennerich, Arne

    2014-01-01

    Rigid attachment of microtubules (MTs) to glass cover slip surfaces is a prerequisite for a variety of microscopy experiments in which MTs are used as substrates for MT-associated proteins, such as the molecular motors kinesin and cytoplasmic dynein. We present an MT-surface coupling protocol in which aminosilanized glass is formylated using the cross-linker glutaraldehyde, fluorescence-labeled MTs are covalently attached, and the surface is passivated with highly pure beta-casein. The technique presented here yields rigid MT immobilization while simultaneously blocking the remaining glass surface against nonspecific binding by polystyrene optical trapping microspheres. This surface chemistry is straightforward and relatively cheap and uses a minimum of specialized equipment or hazardous reagents. These methods provide a foundation for a variety of optical tweezers experiments with MT-associated molecular motors and may also be useful in other assays requiring surface-immobilized proteins. PMID:24633798

  16. Covalent immobilization of microtubules on glass surfaces for molecular motor force measurements and other single-molecule assays.

    PubMed

    Nicholas, Matthew P; Rao, Lu; Gennerich, Arne

    2014-01-01

    Rigid attachment of microtubules (MTs) to glass cover slip surfaces is a prerequisite for a variety of microscopy experiments in which MTs are used as substrates for MT-associated proteins, such as the molecular motors kinesin and cytoplasmic dynein. We present an MT-surface coupling protocol in which aminosilanized glass is formylated using the cross-linker glutaraldehyde, fluorescence-labeled MTs are covalently attached, and the surface is passivated with highly pure beta-casein. The technique presented here yields rigid MT immobilization while simultaneously blocking the remaining glass surface against nonspecific binding by polystyrene optical trapping microspheres. This surface chemistry is straightforward and relatively cheap and uses a minimum of specialized equipment or hazardous reagents. These methods provide a foundation for a variety of optical tweezers experiments with MT-associated molecular motors and may also be useful in other assays requiring surface-immobilized proteins. PMID:24633798

  17. Molecular dynamics simulations of the rotary motor F(0) under external electric fields across the membrane.

    PubMed

    Lin, Yang-Shan; Lin, Jung-Hsin; Chang, Chien-Cheng

    2010-03-17

    The membrane-bound component F(0), which is a major component of the F(0)F(1)-ATP synthase, works as a rotary motor and plays a central role in driving the F(1) component to transform chemiosmotic energy into ATP synthesis. We conducted molecular dynamics simulations of b(2)-free F(0) in a 1-palmitoyl-2-oleoyl-phosphatidylcholine lipid bilayer for tens of nanoseconds with two different protonation states of the cAsp-61 residue at the interface of the a-c complex in the absence of electric fields and under electric fields of +/-0.03 V/nm across the membrane. To our surprise, we observed that the upper half of the N-terminal helix of the c(1) subunit rotated about its axis clockwise by 30 degrees . An energetic analysis revealed that the electrostatic repulsion between this N-terminal helix and subunit c(12) was a major contributor to the observed rotation. A correlation map analysis indicated that the correlated motions of residues in the interface of the a-c complex were significantly reduced by external electric fields. The deuterium order parameter (S(CD)) profile calculated by averaging all the lipids in the F(0)-bound bilayer was not very different from that of the pure bilayer system, in agreement with recent (2)H solid-state NMR experiments. However, by delineating the lipid properties according to their vicinity to F(0), we found that the S(CD) profiles of different lipid shells were prominently different. Lipids close to F(0) formed a more ordered structure. Similarly, the lateral diffusion of lipids on the membrane surface also followed a shell-dependent behavior. The lipids in the proximity of F(0) exhibited very significantly reduced diffusional motion. The numerical value of S(CD) was anticorrelated with that of the diffusion coefficient, i.e., the more ordered lipid structures led to slower lipid diffusion. Our findings will help elucidate the dynamics of F(0) depending on the protonation state and electric field, and may also shed some light on the

  18. A curved ultrasonic actuator optimized for spherical motors: design and experiments.

    PubMed

    Leroy, Edouard; Lozada, José; Hafez, Moustapha

    2014-08-01

    Multi-degree-of-freedom angular actuators are commonly used in numerous mechatronic areas such as omnidirectional robots, robot articulations or inertially stabilized platforms. The conventional method to design these devices consists in placing multiple actuators in parallel or series using gimbals which are bulky and difficult to miniaturize. Motors using a spherical rotor are interesting for miniature multidegree-of-freedom actuators. In this paper, a new actuator is proposed. It is based on a curved piezoelectric element which has its inner contact surface adapted to the diameter of the rotor. This adaptation allows to build spherical motors with a fully constrained rotor and without a need for additional guiding system. The work presents a design methodology based on modal finite element analysis. A methodology for mode selection is proposed and a sensitivity analysis of the final geometry to uncertainties and added masses is discussed. Finally, experimental results that validate the actuator concept on a single degree-of-freedom ultrasonic motor set-up are presented.

  19. Passivity-based current controller design for a permanent-magnet synchronous motor.

    PubMed

    Achour, A Y; Mendil, B; Bacha, S; Munteanu, I

    2009-07-01

    The control of a permanent-magnet synchronous motor is a nontrivial issue in AC drives, because of its nonlinear dynamics and time-varying parameters. Within this paper, a new passivity-based controller designed to force the motor to track time-varying speed and torque trajectories is presented. Its design avoids the use of the Euler-Lagrange model and destructuring since it uses a flux-based dq modelling, independent of the rotor angular position. This dq model is obtained through the three-phase abc model of the motor, using a Park transform. The proposed control law does not compensate the model's workless force terms which appear in the machine's dq model, as they have no effect on the system's energy balance and they do not influence the system's stability properties. Another feature is that the cancellation of the plant's primary dynamics and nonlinearities is not done by exact zeroing, but by imposing a desired damped transient. The effectiveness of the proposed control is illustrated by numerical simulation results.

  20. Coupled Solid Rocket Motor Ballistics and Trajectory Modeling for Higher Fidelity Launch Vehicle Design

    NASA Technical Reports Server (NTRS)

    Ables, Brett

    2014-01-01

    Multi-stage launch vehicles with solid rocket motors (SRMs) face design optimization challenges, especially when the mission scope changes frequently. Significant performance benefits can be realized if the solid rocket motors are optimized to the changing requirements. While SRMs represent a fixed performance at launch, rapid design iterations enable flexibility at design time, yielding significant performance gains. The streamlining and integration of SRM design and analysis can be achieved with improved analysis tools. While powerful and versatile, the Solid Performance Program (SPP) is not conducive to rapid design iteration. Performing a design iteration with SPP and a trajectory solver is a labor intensive process. To enable a better workflow, SPP, the Program to Optimize Simulated Trajectories (POST), and the interfaces between them have been improved and automated, and a graphical user interface (GUI) has been developed. The GUI enables real-time visual feedback of grain and nozzle design inputs, enforces parameter dependencies, removes redundancies, and simplifies manipulation of SPP and POST's numerous options. Automating the analysis also simplifies batch analyses and trade studies. Finally, the GUI provides post-processing, visualization, and comparison of results. Wrapping legacy high-fidelity analysis codes with modern software provides the improved interface necessary to enable rapid coupled SRM ballistics and vehicle trajectory analysis. Low cost trade studies demonstrate the sensitivities of flight performance metrics to propulsion characteristics. Incorporating high fidelity analysis from SPP into vehicle design reduces performance margins and improves reliability. By flying an SRM designed with the same assumptions as the rest of the vehicle, accurate comparisons can be made between competing architectures. In summary, this flexible workflow is a critical component to designing a versatile launch vehicle model that can accommodate a volatile

  1. Design of a superconducting linear synchronous motor with YBCO coil magnet

    NASA Astrophysics Data System (ADS)

    Li, Jing; Tang, Junjie; Zhang, Ya

    2015-09-01

    The forces of the flat single-sided linear motor with four superconducting coils on the excitation system were presented by experimental method. The influences of the coil height and number of turns on the forces were investigated by the simulation method. Although the maximum thrust increased monotonically with the value of turns, the corresponding increment of the thrust decreased with the value of turns. The thrust reaches a certain saturation value with increasing the height of the superconducting coil. Continuing to increase the height of the coil could lead to an increase of the normal force. The superconducting linear motor is finally designed with the capability to generate thrust of 1 kN/m.

  2. Kinetic modeling of molecular motors: pause model and parameter determination from single-molecule experiments

    NASA Astrophysics Data System (ADS)

    Morin, José A.; Ibarra, Borja; Cao, Francisco J.

    2016-05-01

    Single-molecule manipulation experiments of molecular motors provide essential information about the rate and conformational changes of the steps of the reaction located along the manipulation coordinate. This information is not always sufficient to define a particular kinetic cycle. Recent single-molecule experiments with optical tweezers showed that the DNA unwinding activity of a Phi29 DNA polymerase mutant presents a complex pause behavior, which includes short and long pauses. Here we show that different kinetic models, considering different connections between the active and the pause states, can explain the experimental pause behavior. Both the two independent pause model and the two connected pause model are able to describe the pause behavior of a mutated Phi29 DNA polymerase observed in an optical tweezers single-molecule experiment. For the two independent pause model all parameters are fixed by the observed data, while for the more general two connected pause model there is a range of values of the parameters compatible with the observed data (which can be expressed in terms of two of the rates and their force dependencies). This general model includes models with indirect entry and exit to the long-pause state, and also models with cycling in both directions. Additionally, assuming that detailed balance is verified, which forbids cycling, this reduces the ranges of the values of the parameters (which can then be expressed in terms of one rate and its force dependency). The resulting model interpolates between the independent pause model and the indirect entry and exit to the long-pause state model

  3. Prokaryotic and eukaryotic DNA helicases. Essential molecular motor proteins for cellular machinery.

    PubMed

    Tuteja, Narendra; Tuteja, Renu

    2004-05-01

    DNA helicases are ubiquitous molecular motor proteins which harness the chemical free energy of ATP hydrolysis to catalyze the unwinding of energetically stable duplex DNA, and thus play important roles in nearly all aspects of nucleic acid metabolism, including replication, repair, recombination, and transcription. They break the hydrogen bonds between the duplex helix and move unidirectionally along the bound strand. All helicases are also translocases and DNA-dependent ATPases. Most contain conserved helicase motifs that act as an engine to power DNA unwinding. All DNA helicases share some common properties, including nucleic acid binding, NTP binding and hydrolysis, and unwinding of duplex DNA in the 3' to 5' or 5' to 3' direction. The minichromosome maintenance (Mcm) protein complex (Mcm4/6/7) provides a DNA-unwinding function at the origin of replication in all eukaryotes and may act as a licensing factor for DNA replication. The RecQ family of helicases is highly conserved from bacteria to humans and is required for the maintenance of genome integrity. They have also been implicated in a variety of human genetic disorders. Since the discovery of the first DNA helicase in Escherichia coli in 1976, and the first eukaryotic one in the lily in 1978, a large number of these enzymes have been isolated from both prokaryotic and eukaryotic systems, and the number is still growing. In this review we cover the historical background of DNA helicases, helicase assays, biochemical properties, prokaryotic and eukaryotic DNA helicases including Mcm proteins and the RecQ family of helicases. The properties of most of the known DNA helicases from prokaryotic and eukaryotic systems, including viruses and bacteriophages, are summarized in tables.

  4. The molecular motor F-ATP synthase is targeted by the tumoricidal protein HAMLET.

    PubMed

    Ho, James; Sielaff, Hendrik; Nadeem, Aftab; Svanborg, Catharina; Grüber, Gerhard

    2015-05-22

    HAMLET (human alpha-lactalbumin made lethal to tumor cells) interacts with multiple tumor cell compartments, affecting cell morphology, metabolism, proteasome function, chromatin structure and viability. This study investigated if these diverse effects of HAMLET might be caused, in part, by a direct effect on the ATP synthase and a resulting reduction in cellular ATP levels. A dose-dependent reduction in cellular ATP levels was detected in A549 lung carcinoma cells, and by confocal microscopy, co-localization of HAMLET with the nucleotide-binding subunits α (non-catalytic) and β (catalytic) of the energy converting F1F0 ATP synthase was detected. As shown by fluorescence correlation spectroscopy, HAMLET binds to the F1 domain of the F1F0 ATP synthase with a dissociation constant (KD) of 20.5μM. Increasing concentrations of the tumoricidal protein HAMLET added to the enzymatically active α3β3γ complex of the F-ATP synthase lowered its ATPase activity, demonstrating that HAMLET binding to the F-ATP synthase effects the catalysis of this molecular motor. Single-molecule analysis was applied to study HAMLET-α3β3γ complex interaction. Whereas the α3β3γ complex of the F-ATP synthase rotated in a counterclockwise direction with a mean rotational rate of 3.8±0.7s(-1), no rotation could be observed in the presence of bound HAMLET. Our findings suggest that direct effects of HAMLET on the F-ATP synthase may inhibit ATP-dependent cellular processes. PMID:25681694

  5. The molecular motor F-ATP synthase is targeted by the tumoricidal protein HAMLET.

    PubMed

    Ho, James; Sielaff, Hendrik; Nadeem, Aftab; Svanborg, Catharina; Grüber, Gerhard

    2015-05-22

    HAMLET (human alpha-lactalbumin made lethal to tumor cells) interacts with multiple tumor cell compartments, affecting cell morphology, metabolism, proteasome function, chromatin structure and viability. This study investigated if these diverse effects of HAMLET might be caused, in part, by a direct effect on the ATP synthase and a resulting reduction in cellular ATP levels. A dose-dependent reduction in cellular ATP levels was detected in A549 lung carcinoma cells, and by confocal microscopy, co-localization of HAMLET with the nucleotide-binding subunits α (non-catalytic) and β (catalytic) of the energy converting F1F0 ATP synthase was detected. As shown by fluorescence correlation spectroscopy, HAMLET binds to the F1 domain of the F1F0 ATP synthase with a dissociation constant (KD) of 20.5μM. Increasing concentrations of the tumoricidal protein HAMLET added to the enzymatically active α3β3γ complex of the F-ATP synthase lowered its ATPase activity, demonstrating that HAMLET binding to the F-ATP synthase effects the catalysis of this molecular motor. Single-molecule analysis was applied to study HAMLET-α3β3γ complex interaction. Whereas the α3β3γ complex of the F-ATP synthase rotated in a counterclockwise direction with a mean rotational rate of 3.8±0.7s(-1), no rotation could be observed in the presence of bound HAMLET. Our findings suggest that direct effects of HAMLET on the F-ATP synthase may inhibit ATP-dependent cellular processes.

  6. Selective cell-surface labeling of the molecular motor protein prestin

    SciTech Connect

    McGuire, Ryan M.; Silberg, Jonathan J.; Pereira, Fred A.; Raphael, Robert M.

    2011-06-24

    Highlights: {yields} Trafficking to the plasma membrane is required for prestin function. {yields} Biotin acceptor peptide (BAP) was fused to prestin through a transmembrane domain. {yields} BAP-prestin can be metabolically labeled with biotin in HEK293 cells. {yields} Biotin-BAP-prestin allows for selective imaging of fully trafficked prestin. {yields} The biotin-BAP-prestin displays voltage-sensitive activity. -- Abstract: Prestin, a multipass transmembrane protein whose N- and C-termini are localized to the cytoplasm, must be trafficked to the plasma membrane to fulfill its cellular function as a molecular motor. One challenge in studying prestin sequence-function relationships within living cells is separating the effects of amino acid substitutions on prestin trafficking, plasma membrane localization and function. To develop an approach for directly assessing prestin levels at the plasma membrane, we have investigated whether fusion of prestin to a single pass transmembrane protein results in a functional fusion protein with a surface-exposed N-terminal tag that can be detected in living cells. We find that fusion of the biotin-acceptor peptide (BAP) and transmembrane domain of the platelet-derived growth factor receptor (PDGFR) to the N-terminus of prestin-GFP yields a membrane protein that can be metabolically-labeled with biotin, trafficked to the plasma membrane, and selectively detected at the plasma membrane using fluorescently-tagged streptavidin. Furthermore, we show that the addition of a surface detectable tag and a single-pass transmembrane domain to prestin does not disrupt its voltage-sensitive activity.

  7. Lightweight structural design of a bolted case joint for the Space Shuttle Solid Rocket Motor

    NASA Technical Reports Server (NTRS)

    Dorsey, John T.; Stein, Peter A.; Bush, Harold G.

    1988-01-01

    This paper presents the structural design of a bolted joint with a static face seal which can be used to join Space Shuttle Solid Rocket Motor (SRM) case segments. Results from numerous finite element parametric studies indicate that the bolted joint meets the design requirement of preventing joint opening at the O-ring locations during SRM pressurization. A final design recommended for further development has the following parameters: 180 1-inch-diameter studs, stud center line offset of .5 inches radially inward from the shell wall center line, flange thickness of 0.75 inches, bearing plate thickness of 0.25 inches, studs prestressed to 70 percent of ultimate load, and the intermediate alcove. The design has a mass penalty of 1096 lbm, which is 164 lbm greater than the currently proposed capture tang redesign.

  8. Lightweight structural design of a bolted case joint for the space shuttle solid rocket motor

    NASA Technical Reports Server (NTRS)

    Dorsey, John T.; Stein, Peter A.; Bush, Harold G.

    1988-01-01

    The structural design of a bolted joint with a static face seal which can be used to join Space Shuttle Solid Rocket Motor (SRM) case segments is given. Results from numerous finite element parametric studies indicate that the bolted joint meets the design requirement of preventing joint opening at the O-ring locations during SRM pressurization. A final design recommended for further development has the following parameters: 180 one-in.-diam. studs, stud centerline offset of 0.5 in radially inward from the shell wall center line, flange thickness of 0.75 in, bearing plate thickness of 0.25 in, studs prestressed to 70 percent of ultimate load, and the intermediate alcove. The design has a mass penalty of 1096 lbm, which is 164 lbm greater than the currently proposed capture tang redesign.

  9. The Effect of Propellant Variables on Slag in Subscale Spin Motors. Part 1; Design and Qualification of a Slag Discrimination Motor

    NASA Technical Reports Server (NTRS)

    Perkins, F. M.; Beus, R. W.; May, D. H.

    1995-01-01

    The formation, collection, and expulsion of aluminum oxide slag is known to affect the performance of many solid rocket motor systems. Slag expulsion, in particular, is believed to be capable of causing pressure and thrust perturbations. Propellant combustion studies, performed and documented by many investigators, have shown that variations in propellant raw materials and processing affect the nature of alumina droplets at the burning propellant surface, and hence, may affect the quantity of slag retained in the motor chamber, available for expulsion. Thiokol has completed an experimental and analytical evaluation to determine the effects of several material and process variables on Space SHuttle propellant and its propensity to 'slag'. This paper describes the test article, a small scale spin motor with special nozzle, designed and qualified as a slag discriminating tool for use in the evaluation.

  10. A simple statistical approach to the boyer model of the molecular motor adenosine triphosphatase

    SciTech Connect

    Loginov, E. B. Pikin, S. A.

    2006-03-15

    A physical description of the F{sub 0}F{sub 1} adenosine triphosphatase as a rotating motor is proposed. The catalytic center and the ion-conducting membrane are considered within the classical Boyer model for the rotor and the catalytic parts of the motor, thereby allowing application of a simple three-pole model, which decreases the number of parameters significantly. The stochastic character of the processes occurring in motors is described by the Fokker-Planck equations. Various dependences of the rotation speed on the degree of excitation, localization of excitations, and the amplitude of the potential are reported.

  11. Mechanical Operation and Intersubunit Coordination of Ring-Shaped Molecular Motors: Insights from Single-Molecule Studies

    PubMed Central

    Liu, Shixin; Chistol, Gheorghe; Bustamante, Carlos

    2014-01-01

    Ring NTPases represent a large and diverse group of proteins that couple their nucleotide hydrolysis activity to a mechanical task involving force generation and some type of transport process in the cell. Because of their shape, these enzymes often operate as gates that separate distinct cellular compartments to control and regulate the passage of chemical species across them. In this manner, ions and small molecules are moved across membranes, biopolymer substrates are segregated between cells or moved into confined spaces, double-stranded nucleic acids are separated into single strands to provide access to the genetic information, and polypeptides are unfolded and processed for recycling. Here we review the recent advances in the characterization of these motors using single-molecule manipulation and detection approaches. We describe the various mechanisms by which ring motors convert chemical energy to mechanical force or torque and coordinate the activities of individual subunits that constitute the ring. We also examine how single-molecule studies have contributed to a better understanding of the structural elements involved in motor-substrate interaction, mechanochemical coupling, and intersubunit coordination. Finally, we discuss how these molecular motors tailor their operation—often through regulation by other cofactors—to suit their unique biological functions. PMID:24806916

  12. Web Based Learning Support for Experimental Design in Molecular Biology.

    ERIC Educational Resources Information Center

    Wilmsen, Tinri; Bisseling, Ton; Hartog, Rob

    An important learning goal of a molecular biology curriculum is a certain proficiency level in experimental design. Currently students are confronted with experimental approaches in textbooks, in lectures and in the laboratory. However, most students do not reach a satisfactory level of competence in the design of experimental approaches. This…

  13. MOLECULAR THERMODYNAMICS IN THE DESIGN OF SUBSTITUTE SOLVENTS

    EPA Science Inventory

    The use of physical properties and fluid behavior from molecular thermodynamics can lead to better decision making in the design of substitute solvents and can greatly reduce the expense and time required to find substitutes compared to designing solvents by experiment. this pape...

  14. Metamodels for New Designs of Outer-Rotor Brushless Synchronous Electric Motors

    NASA Astrophysics Data System (ADS)

    Dirba, J.; Lavrinovicha, L.

    2014-04-01

    The authors consider the possibilities to synthesise metamodels for the analysis and optimisation of brushless synchronous motors. The metamodels are presented for new designs of the outer-rotor permanent magnet synchronous motor and the outer-rotor reluctance motor. The metamodels are synthesised based on the results obtained by the numerical calculations of magnetic field taking into account magnetic saturation. Analysis of the results for the motor magnetic field and tests of the metamodels at the selected and intermediate points shows that these can be synthesised with acceptable accuracy using numerical calculations instead of expensive real experiments. Rakstā ir apskatītas metamodeļu iegūšanas iespējas to izmantošanai bezkontaktu sinhrono dzinēju analīzē un optimizācijā. Ir iegūti metamodeļi sinhronam dzinējam ar pastāvīgajiem magnētiem un reaktīvam dzinējam ar ārējo rotoru. Sintezēto metamodeļu iegūšanai izmantoti elektrisko dzinēju magnētiskā lauka skaitlisko aprēķinu rezultāti, ievērojot magnētiskās ķēdes piesātinājumu. Metamodeļu pārbaude aprēķinu un starppunktos parādīja, ka to iegūšanai dārgo reālo eksperimentu vietā var izmantot magnētiskā lauka aprēķinu rezultātus.

  15. A rotary molecular motor that can work at near 100% efficiency.

    PubMed Central

    Kinosita, K; Yasuda, R; Noji, H; Adachi, K

    2000-01-01

    A single molecule of F1-ATPase is by itself a rotary motor in which a central gamma-subunit rotates against a surrounding cylinder made of alpha3beta3-subunits. Driven by the three betas that sequentially hydrolyse ATP, the motor rotates in discrete 120 degree steps, as demonstrated in video images of the movement of an actin filament bound, as a marker, to the central gamma-subunit. Over a broad range of load (hydrodynamic friction against the rotating actin filament) and speed, the F1 motor produces a constant torque of ca. 40 pN nm. The work done in a 120 degree step, or the work per ATP molecule, is thus ca. 80 pN nm. In cells, the free energy of ATP hydrolysis is ca. 90 pN nm per ATP molecule, suggesting that the F1 motor can work at near 100% efficiency. We confirmed in vitro that F1 indeed does ca. 80 pN nm of work under the condition where the free energy per ATP is 90 pN nm. The high efficiency may be related to the fully reversible nature of the F1 motor: the ATP synthase, of which F1 is a part, is considered to synthesize ATP from ADP and phosphate by reverse rotation of the F1 motor. Possible mechanisms of F1 rotation are discussed. PMID:10836501

  16. A robust variable sampling time BLDC motor control design based upon μ-synthesis.

    PubMed

    Hung, Chung-Wen; Yen, Jia-Yush

    2013-01-01

    The variable sampling rate system is encountered in many applications. When the speed information is derived from the position marks along the trajectory, one would have a speed dependent sampling rate system. The conventional fixed or multisampling rate system theory may not work in these cases because the system dynamics include the uncertainties which resulted from the variable sampling rate. This paper derived a convenient expression for the speed dependent sampling rate system. The varying sampling rate effect is then translated into multiplicative uncertainties to the system. The design then uses the popular μ-synthesis process to achieve a robust performance controller design. The implementation on a BLDC motor demonstrates the effectiveness of the design approach.

  17. A Robust Variable Sampling Time BLDC Motor Control Design Based upon μ-Synthesis

    PubMed Central

    Yen, Jia-Yush

    2013-01-01

    The variable sampling rate system is encountered in many applications. When the speed information is derived from the position marks along the trajectory, one would have a speed dependent sampling rate system. The conventional fixed or multisampling rate system theory may not work in these cases because the system dynamics include the uncertainties which resulted from the variable sampling rate. This paper derived a convenient expression for the speed dependent sampling rate system. The varying sampling rate effect is then translated into multiplicative uncertainties to the system. The design then uses the popular μ-synthesis process to achieve a robust performance controller design. The implementation on a BLDC motor demonstrates the effectiveness of the design approach. PMID:24327804

  18. MOLECULAR DESIGN OF COLLOIDS IN SUPERCRITICAL FLUIDS

    SciTech Connect

    Keith P. Johnston

    2009-04-06

    The environmentally benign, non-toxic, non-flammable fluids water and carbon dioxide (CO2) are the two most abundant and inexpensive solvents on earth. Emulsions of these fluids are of interest in many industrial processes, as well as CO2 sequestration and enhanced oil recovery. Until recently, formation of these emulsions required stabilization with fluorinated surfactants, which are expensive and often not environmentally friendly. In this work we overcame this severe limitation by developing a fundamental understanding of the properties of surfactants the CO2-water interface and using this knowledge to design and characterize emulsions stabilized with either hydrocarbon-based surfactants or nanoparticle stabilizers. We also discovered a new concept of electrostatic stabilization for CO2-based emulsions and colloids. Finally, we were able to translate our earlier work on the synthesis of silicon and germanium nanocrystals and nanowires from high temperatures and pressures to lower temperatures and ambient pressure to make the chemistry much more accessible.

  19. Application of molecular modeling to analysis of inhibition of kinesin motor proteins of the BimC subfamily by monastrol and related compounds.

    PubMed

    Bevan, David R; Garst, James F; Osborne, Caroline K; Sims, Angela M

    2005-11-01

    Application of molecular modeling approaches has potential to contribute to rational drug design. These approaches may be especially useful when attempting to elucidate the structural features associated with novel drug targets. In this study, molecular docking and molecular dynamics were applied to studies of inhibition of the human motor protein denoted HsEg5 and other homologues in the BimC subfamily. These proteins are essential for mitosis, so compounds that inhibit their activity may have potential as anticancer therapeutics. The discovery of a small-molecule cell-permeable inhibitor, monastrol, has stimulated research in this area. Interestingly, monastrol is reported to inhibit the human and Xenopus forms of Eg5, but not those from Drosophila and Aspergillus. In this study, homology modeling was used to generate models of the Xenopus, Drosophila, and Aspergillus homologues, using the crystal structure of the human protein in complex with monastrol as a template. A series of known inhibitors was docked into each of the homologues, and the differences in binding energies were consistent with reported experimental data. Molecular dynamics revealed significant changes in the structure of the Aspergillus homologue that may contribute to its relative insensitivity to monastrol and related compounds. PMID:17191952

  20. Development of Lorentz force-type self-bearing motor for an alternative axial flow blood pump design.

    PubMed

    Lim, Tau Meng; Zhang, Dongsheng

    2006-05-01

    A Lorentz force-type self-bearing motor was developed to provide delivery of both motoring torque and levitation force for an alternative axial flow blood pump design with an enclosed impeller. The axial flow pumps currently available introduce electromagnetic coupling from the motor's stator to the impeller by means of permanent magnets (PMs) embedded in the tips of the pump's blades. This design has distinct disadvantages, for example, pumping efficiency and electromagnetic coupling transmission are compromised by the constrained or poor geometry of the blades and limited pole width of the PMs, respectively. In this research, a Lorentz force-type self-bearing motor was developed. It is composed of (i) an eight-pole PM hollow-cylindrical rotor assembly supposedly to house and enclose the impeller of an axial flow blood pump, and (ii) a six-pole stator with two sets of copper wire and different winding configurations to provide the motoring torque and levitating force for the rotor assembly. MATLAB's xPC Target interface hardware was used as the rapid prototyping tool for the development of the controller for the self-bearing motor. Experimental results on a free/simply supported rotor assembly validated the design feasibility and control algorithm effectiveness in providing both the motoring torque and levitation force for the rotor. When levitated, a maximum orbital displacement of 0.3 mm corresponding to 1050 rpm of the rotor was measured by two eddy current probes placed in the orthogonal direction. This design has the advantage of eliminating the trade-off between motoring torques, levitating force, and pumping efficiency of previous studies. It also indicated the benefits of enclosed-impeller design as having good dynamic response, linearity, and better reliability. The nonmechanical contact feature between rotating and stationary parts will further reduce hemolysis and thromboembolitic tendencies in a typical blood pump application. PMID:16683951

  1. Space Launch System Base Heating Test: Sub-Scale Rocket Engine/Motor Design, Development & Performance Analysis

    NASA Technical Reports Server (NTRS)

    Mehta, Manish; Seaford, Mark; Kovarik, Brian; Dufrene, Aaron; Solly, Nathan

    2014-01-01

    ATA-002 Technical Team has successfully designed, developed, tested and assessed the SLS Pathfinder propulsion systems for the Main Base Heating Test Program. Major Outcomes of the Pathfinder Test Program: Reach 90% of full-scale chamber pressure Achieved all engine/motor design parameter requirements Reach steady plume flow behavior in less than 35 msec Steady chamber pressure for 60 to 100 msec during engine/motor operation Similar model engine/motor performance to full-scale SLS system Mitigated nozzle throat and combustor thermal erosion Test data shows good agreement with numerical prediction codes Next phase of the ATA-002 Test Program Design & development of the SLS OML for the Main Base Heating Test Tweak BSRM design to optimize performance Tweak CS-REM design to increase robustness MSFC Aerosciences and CUBRC have the capability to develop sub-scale propulsion systems to meet desired performance requirements for short-duration testing.

  2. Design Theory of a Variable Characteristic Motor Using Compound Magnetomotive Forces

    NASA Astrophysics Data System (ADS)

    Kato, Takashi; Akatsu, Kan; Shigeta, Tomoaki; Nakano, Masaki; Tsukamoto, Masahiro; Arimitsu, Minoru

    The permanent magnet synchronous motor offers the possibility of obtaining higher efficiency in a smaller motor size. However, it is difficult to vary the range of high motor efficiency because of its constant magnetomotive force (MMF) level. This paper proposes a variable characteristic motor that embodies a new concept of the compound magnetomotive forces (CMMF) motor. The motor uses a special magnet arrangement that has the MMF of components with different number of pole pairs. The application of compound current control to this motor makes it possible to vary the motor speed and torque (N-T) characteristics. This paper describes the derivation of the theoretical equations for this CMMF motor. It also presents the results of FEA and experiments conducted with the prototype motor to demonstrate the validity of the CMMF concept.

  3. Design of decoupled dual servo stage with voice coil motor and linear motor for XY long stroke ultra-precision scanning system

    NASA Astrophysics Data System (ADS)

    Kim, Ki-Hyun; Choi, Young-Man; Gweon, Dae-Gab; Hong, Dong-Pyo; Kim, Koung-Suk; Lee, Suk-Won; Lee, Moon-Gu

    2005-12-01

    A decoupled dual servo (DDS) stage for ultra-precision scanning system is introduced in this paper. The proposed DDS consists of a 3 axis fine stage for handling and carrying workpieces and a XY coarse stage. Especially, the DDS uses three voice coil motors (VCM) as a planar actuation system of the fine stage to reduce the disturbances due to any mechanical connections with its coarse stage. VCMs are governed by Lorentz law. According to the law and its structure, there are no mechanical connections between coils and magnetic circuits. Moreover, the VCM doesn't have force ripples due to imperfections of commutation components of linear motor systems - currents and flux densities. However, due to the VCM's mechanical constraints the working range of the fine is about 5mm2. To break that hurdle, the coarse stage with linear motors is used for the fine stage to move about 200mm2. Because of the above reasons, the proposed DDS can achieve higher precision scanning than other stages with only one servo. Using MATLAB's Sequential Quadratic Programming (SQP), the VCMs are optimally designed for the highest force under conditions and constraints such as thermal dissipations due to its coil, its size, and so on. For linear motors, Halbach magnet linear motor is proposed and optimally designed in this paper. In addition, for their smooth movements without any frictions, guide systems of the DDS are composed of air bearings. And then, precisely to get their positions, linear scales with 0.1um resolution are used for the coarse's XY motions and plane mirror laser interferometers with 20nm for the fine's XYθz. On scanning, the two stages have same trajectories and are controlled. The control algorithm is Parallel method. The embodied ultra-precision scanning system has about 100nm tracking error and in-positioning stability.

  4. Design of voice coil motor dynamic focusing unit for a laser scanner

    NASA Astrophysics Data System (ADS)

    Lee, Moon G.; Kim, Gaeun; Lee, Chan-Woo; Lee, Soo-Hun; Jeon, Yongho

    2014-04-01

    Laser scanning systems have been used for material processing tasks such as welding, cutting, marking, and drilling. However, applications have been limited by the small range of motion and slow speed of the focusing unit, which carries the focusing optics. To overcome these limitations, a dynamic focusing system with a long travel range and high speed is needed. In this study, a dynamic focusing unit for a laser scanning system with a voice coil motor (VCM) mechanism is proposed to enable fast speed and a wide focusing range. The VCM has finer precision and higher speed than conventional step motors and a longer travel range than earlier lead zirconium titanate actuators. The system has a hollow configuration to provide a laser beam path. This also makes it compact and transmission-free and gives it low inertia. The VCM's magnetics are modeled using a permeance model. Its design parameters are determined by optimization using the Broyden-Fletcher-Goldfarb-Shanno method and a sequential quadratic programming algorithm. After the VCM is designed, the dynamic focusing unit is fabricated and assembled. The permeance model is verified by a magnetic finite element method simulation tool, Maxwell 2D and 3D, and by measurement data from a gauss meter. The performance is verified experimentally. The results show a resolution of 0.2 μm and travel range of 16 mm. These are better than those of conventional focusing systems; therefore, this focusing unit can be applied to laser scanning systems for good machining capability.

  5. Design of voice coil motor dynamic focusing unit for a laser scanner.

    PubMed

    Lee, Moon G; Kim, Gaeun; Lee, Chan-Woo; Lee, Soo-Hun; Jeon, Yongho

    2014-04-01

    Laser scanning systems have been used for material processing tasks such as welding, cutting, marking, and drilling. However, applications have been limited by the small range of motion and slow speed of the focusing unit, which carries the focusing optics. To overcome these limitations, a dynamic focusing system with a long travel range and high speed is needed. In this study, a dynamic focusing unit for a laser scanning system with a voice coil motor (VCM) mechanism is proposed to enable fast speed and a wide focusing range. The VCM has finer precision and higher speed than conventional step motors and a longer travel range than earlier lead zirconium titanate actuators. The system has a hollow configuration to provide a laser beam path. This also makes it compact and transmission-free and gives it low inertia. The VCM's magnetics are modeled using a permeance model. Its design parameters are determined by optimization using the Broyden-Fletcher-Goldfarb-Shanno method and a sequential quadratic programming algorithm. After the VCM is designed, the dynamic focusing unit is fabricated and assembled. The permeance model is verified by a magnetic finite element method simulation tool, Maxwell 2D and 3D, and by measurement data from a gauss meter. The performance is verified experimentally. The results show a resolution of 0.2 μm and travel range of 16 mm. These are better than those of conventional focusing systems; therefore, this focusing unit can be applied to laser scanning systems for good machining capability.

  6. Design of voice coil motor dynamic focusing unit for a laser scanner

    SciTech Connect

    Lee, Moon G.; Kim, Gaeun; Lee, Chan-Woo; Lee, Soo-Hun; Jeon, Yongho

    2014-04-15

    Laser scanning systems have been used for material processing tasks such as welding, cutting, marking, and drilling. However, applications have been limited by the small range of motion and slow speed of the focusing unit, which carries the focusing optics. To overcome these limitations, a dynamic focusing system with a long travel range and high speed is needed. In this study, a dynamic focusing unit for a laser scanning system with a voice coil motor (VCM) mechanism is proposed to enable fast speed and a wide focusing range. The VCM has finer precision and higher speed than conventional step motors and a longer travel range than earlier lead zirconium titanate actuators. The system has a hollow configuration to provide a laser beam path. This also makes it compact and transmission-free and gives it low inertia. The VCM's magnetics are modeled using a permeance model. Its design parameters are determined by optimization using the Broyden–Fletcher–Goldfarb–Shanno method and a sequential quadratic programming algorithm. After the VCM is designed, the dynamic focusing unit is fabricated and assembled. The permeance model is verified by a magnetic finite element method simulation tool, Maxwell 2D and 3D, and by measurement data from a gauss meter. The performance is verified experimentally. The results show a resolution of 0.2 μm and travel range of 16 mm. These are better than those of conventional focusing systems; therefore, this focusing unit can be applied to laser scanning systems for good machining capability.

  7. Design of voice coil motor dynamic focusing unit for a laser scanner.

    PubMed

    Lee, Moon G; Kim, Gaeun; Lee, Chan-Woo; Lee, Soo-Hun; Jeon, Yongho

    2014-04-01

    Laser scanning systems have been used for material processing tasks such as welding, cutting, marking, and drilling. However, applications have been limited by the small range of motion and slow speed of the focusing unit, which carries the focusing optics. To overcome these limitations, a dynamic focusing system with a long travel range and high speed is needed. In this study, a dynamic focusing unit for a laser scanning system with a voice coil motor (VCM) mechanism is proposed to enable fast speed and a wide focusing range. The VCM has finer precision and higher speed than conventional step motors and a longer travel range than earlier lead zirconium titanate actuators. The system has a hollow configuration to provide a laser beam path. This also makes it compact and transmission-free and gives it low inertia. The VCM's magnetics are modeled using a permeance model. Its design parameters are determined by optimization using the Broyden-Fletcher-Goldfarb-Shanno method and a sequential quadratic programming algorithm. After the VCM is designed, the dynamic focusing unit is fabricated and assembled. The permeance model is verified by a magnetic finite element method simulation tool, Maxwell 2D and 3D, and by measurement data from a gauss meter. The performance is verified experimentally. The results show a resolution of 0.2 μm and travel range of 16 mm. These are better than those of conventional focusing systems; therefore, this focusing unit can be applied to laser scanning systems for good machining capability. PMID:24784656

  8. Design theory and performance of cryogenic molecular adsorption refrigeration systems

    NASA Technical Reports Server (NTRS)

    Hartwig, W. H.; Woltman, A. W.; Masson, J. P.

    1978-01-01

    Closed-cycle operation of molecular adsorption refrigeration systems (MARS) has been demonstrated by using thermally cycled zeolites to adsorb and desorb various gases under pressures of 20-60 atm. This paper develops three aspects of the design theory: the physical theory of molecular adsorption of small molecules such as A, N2, N2O and NH3, the design relations for closed-cycle flow for three or more compressors, and the coefficient of performance. This work is intended to demonstrate nonmechanical gas compression for various cryogenic gases than can compete with mechanical systems with a different mix of advantages and disadvantages.

  9. Molecular rectifiers: a new design based on asymmetric anchoring moieties.

    PubMed

    Van Dyck, Colin; Ratner, Mark A

    2015-03-11

    The quest for a molecular rectifier is among the major challenges of molecular electronics. We introduce three simple rules to design an efficient rectifying molecule and demonstrate its functioning at the theoretical level, relying on the NEGF-DFT technique. The design rules notably require both the introduction of asymmetric anchoring moieties and a decoupling bridge. They lead to a new rectification mechanism based on the compression and control of the HOMO/LUMO gap by the electrode Fermi levels, arising from a pinning effect. Significant rectification ratios up to 2 orders of magnitude are theoretically predicted as the mechanism opposes resonant to nonresonant tunneling. PMID:25706442

  10. Novel tubular switched reluctance motor with double excitation windings: Design, modeling, and experiments

    NASA Astrophysics Data System (ADS)

    Yan, Liang; Li, Wei; Jiao, Zongxia; Chen, I.-Ming

    2015-12-01

    The space utilization of linear switched reluctance machine is relatively low, which unavoidably constrains the improvement of system output performance. The objective of this paper is to propose a novel tubular linear switched reluctance motor with double excitation windings. The employment of double excitation helps to increase the electromagnetic force of the system. Furthermore, the installation of windings on both stator and mover can make the structure more compact and increase the system force density. The design concept and operating principle are presented. Following that, the major structure parameters of the system are determined. Subsequently, electromagnetic force and reluctance are formulated analytically based on equivalent magnetic circuits, and the result is validated with numerical computation. Then, a research prototype is developed, and experiments are conducted on the system output performance. It shows that the proposed design of electric linear machine can achieve higher thrust force compared with conventional linear switched reluctance machines.

  11. On the possibility to accelerate the thermal isomerizations of overcrowded alkene-based rotary molecular motors with electron-donating or electron-withdrawing substituents.

    PubMed

    Oruganti, Baswanth; Durbeej, Bo

    2016-09-01

    We employ computational methods to investigate the possibility of using electron-donating or electron-withdrawing substituents to reduce the free-energy barriers of the thermal isomerizations that limit the rotational frequencies achievable by synthetic overcrowded alkene-based molecular motors. Choosing as reference systems one of the fastest motors known to date and two variants thereof, we consider six new motors obtained by introducing electron-donating methoxy and dimethylamino or electron-withdrawing nitro and cyano substituents in conjugation with the central olefinic bond connecting the two (stator and rotator) motor halves. Performing density functional theory calculations, we then show that electron-donating (but not electron-withdrawing) groups at the stator are able to reduce the already small barriers of the reference motors by up to 18 kJ mol(-1). This result outlines a possible strategy for improving the rotational frequencies of motors of this kind. Furthermore, exploring the origin of the catalytic effect, it is found that electron-donating groups exert a favorable steric influence on the thermal isomerizations, which is not manifested by electron-withdrawing groups. This finding suggests a new mechanism for controlling the critical steric interactions of these motors. Graphical Abstract The introduction of electron-donating groups in one of the fastest rotary molecular motors known to date is found to reduce the free-energy barriers of the thermal steps that limit the rotational frequencies by up to 18 kJ mol(-1). PMID:27553304

  12. High bandwidth optical force clamp for investigation of molecular motor motion

    NASA Astrophysics Data System (ADS)

    Roychowdhury, Subhrajit; Aggarwal, Tanuj; Salapaka, Srinivasa; Salapaka, Murti V.

    2013-10-01

    Use of optical tweezers for load force regulation on processive motors has yielded significant insights into intracellular transport mechanisms. The methodology developed in this letter circumvents the limitations of existing active force clamps with the use of experimentally determined models for various components of the optical tweezing system, thus making it possible to probe motor proteins at higher speeds. This paradigm also allows for real-time step estimation for step sizes as small as 8 nm with dwell time of 5 ms or higher without sacrificing force regulation.

  13. Designing π-stacked molecular structures to control heat transport through molecular junctions

    SciTech Connect

    Kiršanskas, Gediminas; Li, Qian; Solomon, Gemma C.; Flensberg, Karsten; Leijnse, Martin

    2014-12-08

    We propose and analyze a way of using π stacking to design molecular junctions that either enhance or suppress a phononic heat current, but at the same time remain conductors for an electric current. Such functionality is highly desirable in thermoelectric energy converters, as well as in other electronic components where heat dissipation should be minimized or maximized. We suggest a molecular design consisting of two masses coupled to each other with one mass coupled to each lead. By having a small coupling (spring constant) between the masses, it is possible to either reduce or perhaps more surprisingly enhance the phonon conductance. We investigate a simple model system to identify optimal parameter regimes and then use first principle calculations to extract model parameters for a number of specific molecular realizations, confirming that our proposal can indeed be realized using standard molecular building blocks.

  14. A systematic molecular circuit design method for gene networks under biochemical time delays and molecular noises

    PubMed Central

    Chen, Bor-Sen; Chang, Yu-Te

    2008-01-01

    Background Gene networks in nanoscale are of nonlinear stochastic process. Time delays are common and substantial in these biochemical processes due to gene transcription, translation, posttranslation protein modification and diffusion. Molecular noises in gene networks come from intrinsic fluctuations, transmitted noise from upstream genes, and the global noise affecting all genes. Knowledge of molecular noise filtering and biochemical process delay compensation in gene networks is crucial to understand the signal processing in gene networks and the design of noise-tolerant and delay-robust gene circuits for synthetic biology. Results A nonlinear stochastic dynamic model with multiple time delays is proposed for describing a gene network under process delays, intrinsic molecular fluctuations, and extrinsic molecular noises. Then, the stochastic biochemical processing scheme of gene regulatory networks for attenuating these molecular noises and compensating process delays is investigated from the nonlinear signal processing perspective. In order to improve the robust stability for delay toleration and noise filtering, a robust gene circuit for nonlinear stochastic time-delay gene networks is engineered based on the nonlinear robust H∞ stochastic filtering scheme. Further, in order to avoid solving these complicated noise-tolerant and delay-robust design problems, based on Takagi-Sugeno (T-S) fuzzy time-delay model and linear matrix inequalities (LMIs) technique, a systematic gene circuit design method is proposed to simplify the design procedure. Conclusion The proposed gene circuit design method has much potential for application to systems biology, synthetic biology and drug design when a gene regulatory network has to be designed for improving its robust stability and filtering ability of disease-perturbed gene network or when a synthetic gene network needs to perform robustly under process delays and molecular noises. PMID:19038029

  15. Information storage at the molecular level - The design of a molecular shift register memory

    NASA Technical Reports Server (NTRS)

    Beratan, David N.; Onuchic, Jose Nelson; Hopfield, J. J.

    1989-01-01

    The control of electron transfer rates is discussed and a molecular shift register memory at the molecular level is described. The memory elements are made up of molecules which can exist in either an oxidized or reduced state and the bits can be shifted between the cells with photoinduced electron transfer reactions. The device integrates designed molecules onto a VLSI substrate. A control structure to modify the flow of information along a shift register is indicated schematically.

  16. Beyond Molecular Wires: Design Molecular Electronic Functions Based on Dipolar Effect.

    PubMed

    Lo, Wai-Yip; Zhang, Na; Cai, Zhengxu; Li, Lianwei; Yu, Luping

    2016-09-20

    As the semiconductor companies officially abandoned the pursuit of Moore's law, the limitation of silicone-based semiconductor electronic devices is approaching. Single molecular devices are considered as a potential solution to overcome the physical barriers caused by quantum interferences because the intermolecular interactions are mainly through weak van der Waals force between molecular building blocks. In this bottom-up approach, components are built from atoms up, allowing great control over the molecular properties. Moreover, single molecular devices are powerful tools to understand quantum physics, reaction mechanism, and electron and charge transfer processes in organic semiconductors and molecules. So far, a great deal of effort is focused on understanding charge transport through organic single-molecular wires. However, to control charge transport, molecular diodes, switches, transistors, and memories are crucial. Significant progress in these topics has been achieved in the past years. The introduction and advances of scanning tunneling microscope break-junction (STM-BJ) techniques have led to more detailed characterization of new molecular structures. The modern organic chemistry provides an efficient access to a variety of functional moieties in single molecular device. These moieties have the potential to be incorporated in miniature circuits or incorporated as parts in molecular machines, bioelectronics devices, and bottom-up molecular devices. In this Account, we discuss progress mainly made in our lab in designing and characterizing organic single-molecular electronic components beyond molecular wires and with varied functions. We have synthesized and demonstrated molecular diodes with p-n junction structures through various scanning probe microscopy techniques. The assembly of the molecular diodes was achieved by using Langmuir-Blodgett technique or thiol/gold self-assembly chemistry with orthogonal protecting groups. We have thoroughly

  17. Beyond Molecular Wires: Design Molecular Electronic Functions Based on Dipolar Effect.

    PubMed

    Lo, Wai-Yip; Zhang, Na; Cai, Zhengxu; Li, Lianwei; Yu, Luping

    2016-09-20

    As the semiconductor companies officially abandoned the pursuit of Moore's law, the limitation of silicone-based semiconductor electronic devices is approaching. Single molecular devices are considered as a potential solution to overcome the physical barriers caused by quantum interferences because the intermolecular interactions are mainly through weak van der Waals force between molecular building blocks. In this bottom-up approach, components are built from atoms up, allowing great control over the molecular properties. Moreover, single molecular devices are powerful tools to understand quantum physics, reaction mechanism, and electron and charge transfer processes in organic semiconductors and molecules. So far, a great deal of effort is focused on understanding charge transport through organic single-molecular wires. However, to control charge transport, molecular diodes, switches, transistors, and memories are crucial. Significant progress in these topics has been achieved in the past years. The introduction and advances of scanning tunneling microscope break-junction (STM-BJ) techniques have led to more detailed characterization of new molecular structures. The modern organic chemistry provides an efficient access to a variety of functional moieties in single molecular device. These moieties have the potential to be incorporated in miniature circuits or incorporated as parts in molecular machines, bioelectronics devices, and bottom-up molecular devices. In this Account, we discuss progress mainly made in our lab in designing and characterizing organic single-molecular electronic components beyond molecular wires and with varied functions. We have synthesized and demonstrated molecular diodes with p-n junction structures through various scanning probe microscopy techniques. The assembly of the molecular diodes was achieved by using Langmuir-Blodgett technique or thiol/gold self-assembly chemistry with orthogonal protecting groups. We have thoroughly

  18. Motor Starters

    NASA Astrophysics Data System (ADS)

    1986-01-01

    The power factor controller (PFC) was invented by a NASA engineer. It matches voltage with a motor's actual need by sensing shifts in the relationship between voltage and current flow. With the device, power can be trimmed as much as 65%. Intellinet adopted this technology and designed "soft start" and "load-responsive" control modes to start engines gradually and recycle voltage without reducing motor speed. Other features are lower motor heat and faster fault identification.

  19. Using electrical and optical tweezers to facilitate studies of molecular motors.

    PubMed

    Arsenault, Mark E; Sun, Yujie; Bau, Haim H; Goldman, Yale E

    2009-06-28

    Dielectrophoresis was used to stretch and suspend actin filaments across a trench etched between two electrodes patterned on a glass slide. Optical tweezers were used to bring a motor protein-coated bead into close proximity to a pre-selected, suspended actin filament, facilitating the attachment of the myosin-coated bead to the filament. The clearance beneath the filament allowed the bead to move freely along and around its filamentous track, unhindered by solid surfaces. Using defocused images, the three-dimensional position of the bead was tracked as a function of time to obtain its trajectory. Experiments were carried out with myosin V and myosin X. Both motor proteins followed left-handed helical paths with the myosin X motor exhibiting a shorter pitch than the myosin V. The combined use of electrostatic and optical tweezers facilitates the preparation of motility assays with suspended tracks. Variants of this technique will enable higher complexity experiments in vitro to better understand the behavior of motors in cells. PMID:19506758

  20. Identification of molecular motors in the Woods Hole squid, Loligo pealei: an expressed sequence tag approach.

    PubMed

    DeGiorgis, Joseph A; Cavaliere, Kimberly R; Burbach, J Peter H

    2011-10-01

    The squid giant axon and synapse are unique systems for studying neuronal function. While a few nucleotide and amino acid sequences have been obtained from squid, large scale genetic and proteomic information is lacking. We have been particularly interested in motors present in axons and their roles in transport processes. Here, to obtain genetic data and to identify motors expressed in squid, we initiated an expressed sequence tag project by single-pass sequencing mRNAs isolated from the stellate ganglia of the Woods Hole Squid, Loligo pealei. A total of 22,689 high quality expressed sequence tag (EST) sequences were obtained and subjected to basic local alignment search tool analysis. Seventy six percent of these sequences matched genes in the National Center for Bioinformatics databases. By CAP3 analysis this library contained 2459 contigs and 7568 singletons. Mining for motors successfully identified six kinesins, six myosins, a single dynein heavy chain, as well as components of the dynactin complex, and motor light chains and accessory proteins. This initiative demonstrates that EST projects represent an effective approach to obtain sequences of interest.

  1. Forced desorption of semiflexible polymers, adsorbed and driven by molecular motors.

    PubMed

    Chaudhuri, Abhishek; Chaudhuri, Debasish

    2016-02-21

    We formulate and characterize a model to describe the dynamics of semiflexible polymers in the presence of activity due to motor proteins attached irreversibly to a substrate, and a transverse pulling force acting on one end of the filament. The stochastic binding-unbinding of the motor proteins and their ability to move along the polymer generate active forces. As the pulling force reaches a threshold value, the polymer eventually desorbs from the substrate. Performing underdamped Langevin dynamics simulation of the polymer, and with stochastic motor activity, we obtain desorption phase diagrams. The correlation time for fluctuations in the desorbed fraction increases as one approaches complete desorption, captured quantitatively by a power law spectral density. We present theoretical analysis of the phase diagram using mean field approximations in the weakly bending limit of the polymer and performing linear stability analysis. This predicts an increase in the desorption force with the polymer bending rigidity, active velocity and processivity of the motor proteins to capture the main features of the simulation results. PMID:26750537

  2. Torque, chemistry and efficiency in molecular motors: a study of the rotary-chemical coupling in F1-ATPase.

    PubMed

    Mukherjee, Shayantani; Bora, Ram Prasad; Warshel, Arieh

    2015-11-01

    Detailed understanding of the action of biological molecular machines must overcome the challenge of gaining a clear knowledge of the corresponding free-energy landscape. An example for this is the elucidation of the nature of converting chemical energy to torque and work in the rotary molecular motor of F1-ATPase. A major part of the challenge involves understanding the rotary-chemical coupling from a non-phenomenological structure/energy description. Here we focused on using a coarse-grained model of F1-ATPase to generate a structure-based free-energy landscape of the rotary-chemical process of the whole system. In particular, we concentrated on exploring the possible impact of the position of the catalytic dwell on the efficiency and torque generation of the molecular machine. It was found that the experimentally observed torque can be reproduced with landscapes that have different positions for the catalytic dwell on the rotary-chemical surface. Thus, although the catalysis is undeniably required for torque generation, the experimentally observed position of the catalytic dwell at 80° might not have a clear advantage for the force generation by F1-ATPase. This further implies that the rotary-chemical couplings in these biological motors are quite robust and their efficiencies do not depend explicitly on the position of the catalytic dwells. Rather, the specific positioning of the dwells with respect to the rotational angle is a characteristic arising due to the structural construct of the molecular machine and might not bear any clear connection to the thermodynamic efficiency for the system.

  3. Torque, chemistry and efficiency in molecular motors: a study of the rotary-chemical coupling in F1-ATPase.

    PubMed

    Mukherjee, Shayantani; Bora, Ram Prasad; Warshel, Arieh

    2015-11-01

    Detailed understanding of the action of biological molecular machines must overcome the challenge of gaining a clear knowledge of the corresponding free-energy landscape. An example for this is the elucidation of the nature of converting chemical energy to torque and work in the rotary molecular motor of F1-ATPase. A major part of the challenge involves understanding the rotary-chemical coupling from a non-phenomenological structure/energy description. Here we focused on using a coarse-grained model of F1-ATPase to generate a structure-based free-energy landscape of the rotary-chemical process of the whole system. In particular, we concentrated on exploring the possible impact of the position of the catalytic dwell on the efficiency and torque generation of the molecular machine. It was found that the experimentally observed torque can be reproduced with landscapes that have different positions for the catalytic dwell on the rotary-chemical surface. Thus, although the catalysis is undeniably required for torque generation, the experimentally observed position of the catalytic dwell at 80° might not have a clear advantage for the force generation by F1-ATPase. This further implies that the rotary-chemical couplings in these biological motors are quite robust and their efficiencies do not depend explicitly on the position of the catalytic dwells. Rather, the specific positioning of the dwells with respect to the rotational angle is a characteristic arising due to the structural construct of the molecular machine and might not bear any clear connection to the thermodynamic efficiency for the system. PMID:26537397

  4. A modified active Brownian dynamics model using asymmetric energy conversion and its application to the molecular motor system.

    PubMed

    Park, Pyeong Jun; Lee, Kong-Ju-Bock

    2013-06-01

    We consider a modified energy depot model in the overdamped limit using an asymmetric energy conversion rate, which consists of linear and quadratic terms in an active particle's velocity. In order to analyze our model, we adopt a system of molecular motors on a microtubule and employ a flashing ratchet potential synchronized to a stochastic energy supply. By performing an active Brownian dynamics simulation, we investigate effects of the active force, thermal noise, external load, and energy-supply rate. Our model yields the stepping and stalling behaviors of the conventional molecular motor. The active force is found to facilitate the forwardly processive stepping motion, while the thermal noise reduces the stall force by enhancing relatively the backward stepping motion under external loads. The stall force in our model decreases as the energy-supply rate is decreased. Hence, assuming the Michaelis-Menten relation between the energy-supply rate and the an ATP concentration, our model describes ATP-dependent stall force in contrast to kinesin-1.

  5. Design And Construction Of A Miniaturized Motor Controller For Interplanetary Rover

    NASA Astrophysics Data System (ADS)

    Lofgren, Henrik; Lijemark, Tomas; Lamoureux, Enrique; Bruhn, Fredrik; Hagstrom, Maria; Hall, Karin; Ljunggren, Anders; Habinc, Sandi; Gruener, Gabriel; Rusconi, Andrea; Boyes, Ben; Wagenbach, Susanne; Poulakis, Pantelis; Kohler, Johan

    2011-10-01

    ÅAC Microtec AB is leading an international consortium developing a Motion Control Chip (MCC) for the European Space Agency (ESA) under a TRP contract. The team consists of the prime ÅAC (Sweden), Aeroflex Gaisler (Sweden), Centre Suisse d'Electroniqueet de Microtechnique (CSEM, Switzerland), Selex Galileo Italy), Astrium (UK) and DLR Institute of Space Systems (Germany). In order to improve performance of rovers and robotic arms, one solution is to place the controller physically as close as possible to the motors. This reduces the harness and hence saves weight, decreases thermal leakage from the main system body and simplifies the final assembly. Nevertheless, with this approach the constraints on the electronics become more stringent: the assembly has to survive a very wide temperature range as well as vibrations and possibly dust, and at the same time it should be as small and light as possible. To cope with these design constraints, the Motion Control Chip (MCC) is based on stacked ceramic substrate technology in a Multi Chip Module (MCM), on which active components are assembled as bare dies. This approach was chosen in favor of special large ASIC development to reduce cost and make the design more flexible. By choosing a MCM solution, the design will allow both FPGA and ASICs to be used. FPGAs are used initially to lower the prototyping cost and later be replaced with ASICs as the packaging technology is qualified for the extreme environments of ISS, Mars and Moon. The manufacturing of the first iteration of miniaturized MCC modules is ongoing and initial functional tests have been executed. The results are currently being evaluated and when this is finalized the full test campaign including environmental tests will planned in detail. The tests are assumed to be finalized during the spring of 2011. Aeroflex Gaisler is the official ESA maintainer of the RTEMS port for the LEON3 processor and has been providing support to several developments. CSEM is

  6. Testing a structural model for viral DNA packaging motor function by optical tweezers measurements, site directed mutagenesis, and molecular dynamics calculations

    NASA Astrophysics Data System (ADS)

    Keller, Nicholas A.; Migliori, Amy D.; Arya, Gaurav; Rao, Venigalla B.; Smith, Douglas E.

    2013-09-01

    Many double-stranded DNA viruses employ a molecular motor to package DNA into preformed capsid shells. Based on structures of phage T4 motor proteins determined by X-ray crystallography and cryo-electron microscopy, Rao, Rossmann and coworkers recently proposed a structural model for motor function. They proposed that DNA is ratcheted by a large conformational change driven by electrostatic interactions between charged residues at an interface between two globular domains of the motor protein. We have conducted experiments to test this model by studying the effect on packaging under applied load of site-directed changes altering these residues. We observe significant impairment of packaging activity including reductions in packaging rate, percent time packaging, and time active under high load. We show that these measured impairments correlate well with alterations in free energies associated with the conformational change predicted by molecular dynamics simulations.

  7. Engineering molecular machines

    NASA Astrophysics Data System (ADS)

    Erman, Burak

    2016-04-01

    Biological molecular motors use chemical energy, mostly in the form of ATP hydrolysis, and convert it to mechanical energy. Correlated thermal fluctuations are essential for the function of a molecular machine and it is the hydrolysis of ATP that modifies the correlated fluctuations of the system. Correlations are consequences of the molecular architecture of the protein. The idea that synthetic molecular machines may be constructed by designing the proper molecular architecture is challenging. In their paper, Sarkar et al (2016 New J. Phys. 18 043006) propose a synthetic molecular motor based on the coarse grained elastic network model of proteins and show by numerical simulations that motor function is realized, ranging from deterministic to thermal, depending on temperature. This work opens up a new range of possibilities of molecular architecture based engine design.

  8. Design modification in rotor blade of turbo molecular pump

    NASA Astrophysics Data System (ADS)

    Iqbal, Munawar; Wasy, Abdul; Batani, Dimitri; Rashid, Haris; Lodhi, M. A. K.

    2012-06-01

    Performance of a Turbo Molecular Pump (TMP) is strongly related to the frequency of the rotor. As rpm increases deflection in the rotor blades starts to occur. Therefore, quality of material and blade design has been modified in order to obtain stable performance at higher speed. To reduce the deformation, stiffer material and change in blade design have been calculated. Significant improvement has been achieved in modeling the blade design using CATIA software. The analysis has been performed by ANSYS workbench. It is shown that the modification in the blade design of TMP rotor has reduced the structural deformation up to 66 percent of the deformation produced in the original blade design under the same conditions. Modified design achieved additional 23 percent rpm which increased TMP's efficiency.

  9. Why Do Fine Motor Skills Predict Mathematics? Construct Validity of the Design Copying Task

    ERIC Educational Resources Information Center

    Murrah, William M.; Chen, Wei-Bing; Cameron, Claire E.

    2013-01-01

    Recent educational studies have found evidence that measures of fine motor skills are predictive of educational outcomes. However, the precise nature of fine motor skills has received little attention in these studies. With evidence mounting that fine motor skills are an important indicator of school readiness, investigating the nature of this…

  10. Micro-/nanostructured multicomponent molecular materials: design, assembly, and functionality.

    PubMed

    Yan, Dongpeng

    2015-03-23

    Molecule-based micro-/nanomaterials have attracted considerable attention because their properties can vary greatly from the corresponding macro-sized bulk systems. Recently, the construction of multicomponent molecular solids based on crystal engineering principles has emerged as a promising alternative way to develop micro-/nanomaterials. Unlike single-component materials, the resulting multicomponent systems offer the advantages of tunable composition, and adjustable molecular arrangement, and intermolecular interactions within their solid states. The study of these materials also supplies insight into how the crystal structure, molecular components, and micro-/nanoscale effects can influence the performance of molecular materials. In this review, we describe recent advances and current directions in the assembly and applications of crystalline multicomponent micro-/nanostructures. Firstly, the design strategies for multicomponent systems based on molecular recognition and crystal engineering principles are introduced. Attention is then focused on the methods of fabrication of low-dimensional multicomponent micro-/nanostructures. Their new applications are also outlined. Finally, we briefly discuss perspectives for the further development of these molecular crystalline micro-/nanomaterials.

  11. Driving modes for designing the cornering response of fully electric vehicles with multiple motors

    NASA Astrophysics Data System (ADS)

    De Novellis, Leonardo; Sorniotti, Aldo; Gruber, Patrick

    2015-12-01

    Fully electric vehicles with multiple drivetrains allow a significant variation of the steady-state and transient cornering responses through the individual control of the electric motor drives. As a consequence, alternative driving modes can be created that provide the driver the option to select the preferred dynamic vehicle behavior. This article presents a torque-vectoring control structure based on the combination of feedforward and feedback contributions for the continuous control of vehicle yaw rate. The controller is specifically developed to be easily implementable on real-world vehicles. A novel model-based procedure for the definition of the control objectives is described in detail, together with the automated tuning process of the algorithm. The implemented control functions are demonstrated with experimental vehicle tests. The results show the possibilities of torque-vectoring control in designing the vehicle understeer characteristic.

  12. Molecular design of an epoxy for cryogenic temperatures

    NASA Astrophysics Data System (ADS)

    Sawa, Fumio; Nishijima, Shigehiro; Okada, Toichi

    The mechanical and thermal properties of several epoxy resins were measured to obtain guidelines for the molecular design of an epoxy resin for cryogenic temperatures. Two types of epoxy resin with different numbers of epoxy groups were mixed (with different mixing ratios) and cured. Fracture toughness, flexural strength and thermal contraction of the hybrid epoxy resins were measured down to cryogenic temperatures. The results suggest that epoxies with larger molecular weights between crosslinkings relaxed stress at the crack tip, even at cryogenic temperatures. Intermolecular forces and stress relaxation at the crack tip were found to be important for high fracture toughness.

  13. PM Motor Parametric Design Analyses for Hybrid Electric Vehicle Traction Drive Application: Interim Report

    SciTech Connect

    Staunton, R.H.

    2004-08-11

    The Department of Energy's (DOE) Office of FreedomCAR (Cooperative Automotive Research) and Vehicle Technologies has a strong interest in making rapid progress in permanent magnet (PM) machine development. The program is directing various technology development projects that will advance the technology and lead to request for proposals (RFP) for manufacturer prototypes. This aggressive approach is possible because the technology is clearly within reach and the approach is deemed essential, based on strong market demand, escalating fuel prices, and competitive considerations. In response, this study began parallel development paths that included a literature search/review, development and utilization of multiple parametric models to determine the effects of design parameters, verification of the modeling methodology, development of an interior PM (IPM) machine baseline design, development of alternative machine baseline designs, and cost analyses for several candidate machines. This interim progress report summarizes the results of these activities as of June 2004. This report provides background and summary information for recent machine parametric studies and testing programs that demonstrate both the potential capabilities and technical limitations of brushless PM machines (axial gap and radial gap), the IPM machine, the surface-mount PM machines (interior or exterior rotor), induction machines, and switched reluctance machines. The FreedomCAR program, while acknowledging the progress made by Oak Ridge National Laboratory, Delphi, Delco-Remy International, and others in these programs, has redirected efforts toward a ''short path'' to a marketable and competitive PM motor for hybrid electric vehicle traction applications. The program has developed a set of performance targets for the type of traction machine desired. The short-path approach entails a comprehensive design effort focusing on the IPM machine and meeting the performance targets. The selection of the

  14. Molecular architecture of the vanilloid receptor. Insights for drug design.

    PubMed

    Ferrer-Montiel, Antonio; García-Martínez, Carolina; Morenilla-Palao, Cruz; García-Sanz, Nuria; Fernández-Carvajal, Asia; Fernández-Ballester, Gregorio; Planells-Cases, Rosa

    2004-05-01

    The transient receptor potential channel vanilloid receptor subunit 1 (TRPV1) is a molecular integrator of physical and chemical stimuli in the peripheral nociceptor terminals. TRPV1 is an ionotropic channel that plays a critical role in both thermal nociception and inflammatory hyperalgesia. Structure-function relationships are providing fundamental insights of the modular architecture of this neuronal receptor. As a result, the molecular determinants that endow TRPV1 with its physiological properties, namely activation by heat, potentiation by extracellular acidic pH, and interaction with vanilloid-like compounds, as well as its permeation properties are being unveiled. This information can now be used to build up molecular models for the protein which, upon experimental validation, could be used as tools to thrust the target-oriented design of druggable TRPV1 ligands.

  15. Molecular design concept for x-ray laser research

    SciTech Connect

    Rhodes, C.K.; Luk, Ting Shan; McPherson, A.; Boyer, K.

    1991-09-17

    The goal of this program is the construction of an x-ray laser in the kilovolt regime. Recent experimental results indicate that a new technique for the generation of strong amplification of x-ray wavelengths is feasible. It involves the combination of (1) a new ultrahigh brightness subpicosecond laser technology and (2) a recently discovered unique mode of strong-field interaction, particularly applicable to molecules. A concept of molecular x-ray laser design emerges from these considerations which matches the mode of excitation to the structure of the molecular system. The molecular approach enables the combination of very highly electronically excited conditions with an environment characteristic of dense cold matter, a general situation exceptionally conducive to x-ray amplification. Both high efficiency and wavelength tunability are intrinsic features of this method. 19 refs., 4 figs.

  16. Molecular docking and structure-based drug design strategies.

    PubMed

    Ferreira, Leonardo G; Dos Santos, Ricardo N; Oliva, Glaucius; Andricopulo, Adriano D

    2015-07-22

    Pharmaceutical research has successfully incorporated a wealth of molecular modeling methods, within a variety of drug discovery programs, to study complex biological and chemical systems. The integration of computational and experimental strategies has been of great value in the identification and development of novel promising compounds. Broadly used in modern drug design, molecular docking methods explore the ligand conformations adopted within the binding sites of macromolecular targets. This approach also estimates the ligand-receptor binding free energy by evaluating critical phenomena involved in the intermolecular recognition process. Today, as a variety of docking algorithms are available, an understanding of the advantages and limitations of each method is of fundamental importance in the development of effective strategies and the generation of relevant results. The purpose of this review is to examine current molecular docking strategies used in drug discovery and medicinal chemistry, exploring the advances in the field and the role played by the integration of structure- and ligand-based methods.

  17. Virtual Screening and Molecular Design Based on Hierarchical Qsar Technology

    NASA Astrophysics Data System (ADS)

    Kuz'min, Victor E.; Artemenko, A. G.; Muratov, Eugene N.; Polischuk, P. G.; Ognichenko, L. N.; Liahovsky, A. V.; Hromov, A. I.; Varlamova, E. V.

    This chapter is devoted to the hierarchical QSAR technology (HiT QSAR) based on simplex representation of molecular structure (SiRMS) and its application to different QSAR/QSPR tasks. The essence of this technology is a sequential solution (with the use of the information obtained on the previous steps) of the QSAR paradigm by a series of enhanced models based on molecular structure description (in a specific order from 1D to 4D). Actually, it's a system of permanently improved solutions. Different approaches for domain applicability estimation are implemented in HiT QSAR. In the SiRMS approach every molecule is represented as a system of different simplexes (tetratomic fragments with fixed composition, structure, chirality, and symmetry). The level of simplex descriptors detailed increases consecutively from the 1D to 4D representation of the molecular structure. The advantages of the approach presented are an ability to solve QSAR/QSPR tasks for mixtures of compounds, the absence of the "molecular alignment" problem, consideration of different physical-chemical properties of atoms (e.g., charge, lipophilicity), and the high adequacy and good interpretability of obtained models and clear ways for molecular design. The efficiency of HiT QSAR was demonstrated by its comparison with the most popular modern QSAR approaches on two representative examination sets. The examples of successful application of the HiT QSAR for various QSAR/QSPR investigations on the different levels (1D-4D) of the molecular structure description are also highlighted. The reliability of developed QSAR models as the predictive virtual screening tools and their ability to serve as the basis of directed drug design was validated by subsequent synthetic, biological, etc. experiments. The HiT QSAR is realized as the suite of computer programs termed the "HiT QSAR" software that so includes powerful statistical capabilities and a number of useful utilities.

  18. Streptococcal M protein: molecular design and biological behavior.

    PubMed Central

    Fischetti, V A

    1989-01-01

    M protein is a major virulence determinant for the group A streptococcus by virtue of its ability to allow the organism to resist phagocytosis. Common in eucaryotes, the fibrillar coiled-coil design for the M molecule may prove to be a common motif for surface proteins in gram-positive organisms. This type of structure offers the organism several distinct advantages, ranging from antigenic variation to multiple functional domains. The close resemblance of this molecular design to that of certain mammalian proteins could help explain on a molecular level the formation of epitopes responsible for serological cross-reactions between microbial and mammalian proteins. Many of the approaches described in the elucidation of the M-protein structure may be applied for characterizing similar molecules in other microbial systems. Images PMID:2670192

  19. Quantum-chemical foundations of the topological substructural molecular design.

    PubMed

    Estrada, Ernesto

    2008-06-12

    The topological substructural molecular design (TOPS-MODE) approach is formulated as a tight-binding quantum-chemical method. The approach is based on certain postulates that permit to express any molecular property as a function of the spectral moments of certain types of molecular and environment-dependent energies. We use several empirical potentials to account for these intrinsic and external molecular energies. We prove that any molecular property expressed in terms of a quantitative structure-property and structure-activity relationships (QSPR/QSAR) model developed by using the TOPS-MODE method can be expressed as a bond additivity function. In addition, such a property can also be expressed as a substructural cluster expansion function. The conditions for such bond contributions being transferable are also analyzed here. Several new statistical-mechanical electronic functions are introduced as well as a bond-bond thermal Green's function or a propagator accounting for the electronic hopping between pairs of bonds. All these new concepts are applied to the development and application of a new QSAR model for describing the toxicity of polyhalogenated-dibenzo-1,4-dioxins. The QSAR model obtained displays a significant robustness and predictability. It permits an easy structural interpretation of the structure-activity relationship in terms of bond additivity functions, which display some resemblances with other theoretical parameters obtained from first principle quantum-chemical methods.

  20. Molecular design of responsive fluids: molecular dynamics studies of viscoelastic surfactant solutions

    NASA Astrophysics Data System (ADS)

    Boek, E. S.; Jusufi, A.; Löwen, H.; Maitland, G. C.

    2002-10-01

    Understanding how macroscopic properties depend on intermolecular interactions for complex fluid systems is an enormous challenge in statistical mechanics. This issue is of particular importance for designing optimal industrial fluid formulations such as responsive oilfield fluids, based on viscoelastic surfactant solutions. We have carried out extensive molecular dynamics simulations, resolving the full chemical details in order to study how the structure of the lamellar phase of viscoelastic surfactant solutions depends on the head group (HG) chemistry of the surfactant. In particular, we consider anionic carboxylate and quaternary ammonium HGs with erucyl tails in aqueous solutions together with their sodium and chloride counterions at room temperature. We find a strong HG dependence of the lamellar structure as characterized by suitable pair correlation functions and density distributions. The depth of penetration of water into the bilayer membrane, the nature of counterion condensation on the HGs and even the order and correlation of the tails in the lamellae depend sensitively on the chemical details of the HG. We also determine the compressibility of the lamellar system as a first step to using atom-resolved molecular dynamics in order to link the molecular and macroscopic scales of length and time. The results give important insight into the links between molecular details and surfactant phase structure which is being exploited to develop more systematic procedures for the molecular design and formulation of industrial systems.

  1. Ensemble velocity of non-processive molecular motors with multiple chemical states

    PubMed Central

    Vilfan, Andrej

    2014-01-01

    We study the ensemble velocity of non-processive motor proteins, described with multiple chemical states. In particular, we discuss the velocity as a function of ATP concentration. Even a simple model which neglects the strain dependence of transition rates, reverse transition rates and nonlinearities in the elasticity can show interesting functional dependencies, which deviate significantly from the frequently assumed Michaelis–Menten form. We discuss how the order of events in the duty cycle can be inferred from the measured dependence. The model also predicts the possibility of velocity reversal at a certain ATP concentration if the duty cycle contains several conformational changes of opposite directionalities. PMID:25485083

  2. The design and experiment of a novel ultrasonic motor based on the combination of bending modes.

    PubMed

    Yan, Jipeng; Liu, Yingxiang; Liu, Junkao; Xu, Dongmei; Chen, Weishan

    2016-09-01

    This paper presents a new-type linear ultrasonic motor which takes advantage of the combination of two orthogonal bending vibration modes. The proposed ultrasonic motor consists of eight pieces of PZT ceramic plates and a metal beam that includes two cone-shaped horns and a cylindrical driving foot. The finite element analyses were finished to verify the working principle of the proposed motor. The mode shapes of the motor were obtained by modal analysis; the elliptical trajectories of nodes on the driving foot were obtained by time-domain analysis. Based on the analyses, a prototype of the proposed motor was fabricated and measured. The mechanical output characteristics were obtained by experiments. The maximal velocity of the proposed motor is 735mm/s and the maximal thrust is 1.1N.

  3. The design and experiment of a novel ultrasonic motor based on the combination of bending modes.

    PubMed

    Yan, Jipeng; Liu, Yingxiang; Liu, Junkao; Xu, Dongmei; Chen, Weishan

    2016-09-01

    This paper presents a new-type linear ultrasonic motor which takes advantage of the combination of two orthogonal bending vibration modes. The proposed ultrasonic motor consists of eight pieces of PZT ceramic plates and a metal beam that includes two cone-shaped horns and a cylindrical driving foot. The finite element analyses were finished to verify the working principle of the proposed motor. The mode shapes of the motor were obtained by modal analysis; the elliptical trajectories of nodes on the driving foot were obtained by time-domain analysis. Based on the analyses, a prototype of the proposed motor was fabricated and measured. The mechanical output characteristics were obtained by experiments. The maximal velocity of the proposed motor is 735mm/s and the maximal thrust is 1.1N. PMID:27400216

  4. Improved Design of Motors for Increased Efficiency in Residential Commercial Buildings

    SciTech Connect

    Pragasen Pillay

    2008-12-31

    non-sinusoidal excitations. A permanent magnet synchronous motor has been designed with the use of the engineering formula with Flux2D. There was acceptable agreement between predictions and measurements. This was further tested on an induction motor with toroid results.

  5. Intensification of the Learning Process: Gross Motor Performance Scale. A Series of Reports Designed for Classroom Use.

    ERIC Educational Resources Information Center

    Bucks County Public Schools, Doylestown, PA.

    The Gross Motor Performance Screening Test was designed to aid the classroom teacher in obtaining specific information about the child's physical abilities. The test includes items which have been found to measure the various factors of physical fitness. It also includes items to measure skills important to the child and adult. Included also are…

  6. Accelerated test methods for predicting the life of motor materials exposed to refrigerant/lubricant mixtures. Phase 1, Conceptual design: Final report

    SciTech Connect

    Ellis, P.F. II; Ferguson, A.

    1993-08-18

    The federally mandated phase-out of chlorofluorocarbon refrigerants requires screening tests for motor materials compatibility with alternative refrigerant/lubricant mixtures. In the current phase of the program, ARTI is supporting tests of promising candidate refrigeration/lubricant systems in key refrigeration component systems such as bearings and hermetic motor insulation systems to screen for more subtle detrimental effects and allow estimates of motor-compressor life. This report covers: mechanisms of failure of hermetic motor insulation, current methods for estimation of life of hermetic motors, and conceptual design of improved stator simulator device for testing of alternative refrigerant/lubricant mixtures.

  7. PM Motor Parametric Design Analyses for a Hybrid Electric Vehicle Traction Drive Application

    SciTech Connect

    Staunton, R.H.

    2004-10-11

    The Department of Energy's (DOE) Office of FreedomCAR (Cooperative Automotive Research) and Vehicle Technologies office has a strong interest in making rapid progress in permanent magnet (PM) machine development. The DOE FreedomCAR program is directing various technology development projects that will advance the technology and hopefully lead to a near-term request for proposals (RFP) for a to-be-determined level of initial production. This aggressive approach is possible because the technology is clearly within reach and the approach is deemed essential, based on strong market demand, escalating fuel prices, and competitive considerations. In response, this study began parallel development paths that included a literature search/review, development and utilization of multiple parametric models, verification of the modeling methodology, development of an interior PM (IPM) machine baseline design, development of alternative machine baseline designs, and cost analyses for several candidate machines. This report summarizes the results of these activities as of September 2004. This report provides background and summary information for recent machine parametric studies and testing programs that demonstrate both the potential capabilities and technical limitations of brushless PM machines (axial gap and radial gap), the IPM machine, the surface-mount PM machines (interior or exterior rotor), induction machines, and switched-reluctance machines. The FreedomCAR program, while acknowledging the progress made by Oak Ridge National Laboratory (ORNL), Delphi, Delco-Remy International, and others in these programs, has redirected efforts toward a ''short path'' to a marketable and competitive PM motor for hybrid electric vehicle (HEV) traction applications. The program has developed a set of performance targets for the type of traction machine desired. The short-path approach entails a comprehensive design effort focusing on the IPM machine and meeting the performance targets

  8. Hereditary motor and sensory neuropathies: Understanding molecular pathogenesis could lead to future treatment strategies.

    PubMed

    Jerath, Nivedita U; Shy, Michael E

    2015-04-01

    Inherited peripheral neuropathies, like many other degenerative disorders, have been challenging to treat. At this point, there is little specific therapy for the inherited neuropathies other than genetic counseling as well as symptomatic treatment and rehabilitation. In the past, ascorbic acid, progesterone antagonists, and subcutaneous neurotrophin-3 (NT3) injections have demonstrated improvement in animal models of CMT 1A, the most common inherited neuropathy, but have failed to translate any effect in humans. Given the difficulty in treatment, it is important to understand the molecular pathogenesis of hereditary neuropathies in order to strategize potential future therapies. The hereditary neuropathies are in an era of molecular insight and over the past 20 years, more than 78 subtypes of Charcot Marie Tooth disease (CMT) have been identified and extensively studied to understand the biological pathways in greater detail. Next generation molecular sequencing has also improved the diagnosis as well as the understanding of CMT. A greater understanding of the molecular pathways will help pave the way to future therapeutics of CMT. This article is part of a Special Issue entitled: Neuromuscular Diseases: Pathology and Molecular Pathogenesis. PMID:25108281

  9. Design of the automatic motor Ke measurement system using the system on programming chip

    NASA Astrophysics Data System (ADS)

    Yen, Sheng-Chan; Chang, Kai-Hsiung; Liu, Yen-Chih; An, Nia-Chun; Tsai, Hsiu-An

    2013-01-01

    The induced electromotive force of traditional motor measurement usually uses another motor to connect the tested motor with the drive shaft to measure its speed and obtain Ke value of induced electromotive force of the tested motor. If the tested motor is not suitable for connection to the connect coupling because of the shape or volume of the rotor, it is difficult to measure the Ke values of the tested motor. So some scholars have proposed two-phase motor which drives the three-phase motor, and gain the measurement method of Ke from the third phase in a few years ago. The mainly way is using the digital logic circuits to redefine the truth table by entering the signals to the motor driver chip from the three Hall sensors. So it can still maintain a positive torque above 0 even if used the two-phase driver and the motor can be rotated by the two-phase driver. But the drawback is that it can only be measured the fixed Ke value at the same phase. And it has to redefine the truth table to measure the values of the other two phase. This paper provides a new measurement method that made the motor speed accelerate to the measured speed at the beginning and measuring the value of third phases while the rotation is maintained by the other two-phase. The advantage is that it can change the phase of measurement, so it can easily measure the Ke value. And the most of digital components which including processor, keyboard decoder and frequency counter etc can be achieved in FPGA by using SOPC method. It can significantly reduce the complexity of circuit and increase system reliability degree.

  10. Design and characterization of a microelectromechanical system electro-thermal linear motor with interlock mechanism for micro manipulators.

    PubMed

    Hu, Tengjiang; Zhao, Yulong; Li, Xiuyuan; Zhao, You; Bai, Yingwei

    2016-03-01

    The design, fabrication, and testing of a novel electro-thermal linear motor for micro manipulators is presented in this paper. The V-shape electro-thermal actuator arrays, micro lever, micro spring, and slider are introduced. In moving operation, the linear motor can move nearly 1 mm displacement with 100 μm each step while keeping the applied voltage as low as 17 V. In holding operation, the motor can stay in one particular position without consuming energy and no creep deformation is found. Actuation force of 12.7 mN indicates the high force generation capability of the device. Experiments of lifetime show that the device can wear over two million cycles of operation. A silicon-on-insulator wafer is introduced to fabricate a high aspect ratio structure and the chip size is 8.5 mm × 8.5 mm × 0.5 mm.

  11. Design and characterization of a microelectromechanical system electro-thermal linear motor with interlock mechanism for micro manipulators

    NASA Astrophysics Data System (ADS)

    Hu, Tengjiang; Zhao, Yulong; Li, Xiuyuan; Zhao, You; Bai, Yingwei

    2016-03-01

    The design, fabrication, and testing of a novel electro-thermal linear motor for micro manipulators is presented in this paper. The V-shape electro-thermal actuator arrays, micro lever, micro spring, and slider are introduced. In moving operation, the linear motor can move nearly 1 mm displacement with 100 μm each step while keeping the applied voltage as low as 17 V. In holding operation, the motor can stay in one particular position without consuming energy and no creep deformation is found. Actuation force of 12.7 mN indicates the high force generation capability of the device. Experiments of lifetime show that the device can wear over two million cycles of operation. A silicon-on-insulator wafer is introduced to fabricate a high aspect ratio structure and the chip size is 8.5 mm × 8.5 mm × 0.5 mm.

  12. Design and characterization of a microelectromechanical system electro-thermal linear motor with interlock mechanism for micro manipulators.

    PubMed

    Hu, Tengjiang; Zhao, Yulong; Li, Xiuyuan; Zhao, You; Bai, Yingwei

    2016-03-01

    The design, fabrication, and testing of a novel electro-thermal linear motor for micro manipulators is presented in this paper. The V-shape electro-thermal actuator arrays, micro lever, micro spring, and slider are introduced. In moving operation, the linear motor can move nearly 1 mm displacement with 100 μm each step while keeping the applied voltage as low as 17 V. In holding operation, the motor can stay in one particular position without consuming energy and no creep deformation is found. Actuation force of 12.7 mN indicates the high force generation capability of the device. Experiments of lifetime show that the device can wear over two million cycles of operation. A silicon-on-insulator wafer is introduced to fabricate a high aspect ratio structure and the chip size is 8.5 mm × 8.5 mm × 0.5 mm. PMID:27036807

  13. An introduction to the design and fabrication progress of a megawatt class 2G HTS motor for the ship propulsion application

    NASA Astrophysics Data System (ADS)

    Moon, Heejong; Kim, Yeong-Chun; Park, Heui-Joo; Yu, In-Keun; Park, Minwon

    2016-03-01

    This paper introduces the design and fabrication progress of a megawatt class 2G high temperature superconductor (HTS) motor for the ship propulsion application at Doosan Heavy Industries and Construction. The purpose of this 2G HTS propulsion motor is to launch the business area for marine applications such as surface ship, submarine, merchant ship etc. The principles and interpretation of the magnetic field for 2G HTS motor and permanent magnet type motors are similar on the basis of 3D design and production. The most important component of an HTS motor is the rotor, which is composed of HTS coil, non-ferrous metal, torque disk, damper, and hollow shaft. A HTS rotor using hastelloy-based 2G HTS coils was designed and built. Open-circuit and short-circuit characteristics of the superconducting motor were investigated and compared with the analysis results at reduced excitation to verify the design. Preliminary testing of a 2G HTS motor has been conducted at a few hundred kilowatts as per the design. Through these results, we anticipate that most of the design criteria can be satisfied. However, we have faced several issues during the testing of the motor and these issues need to be resolved in order to take the design further.

  14. Anti-Inflammatory Drug Design Using a Molecular Hybridization Approach

    PubMed Central

    Bosquesi, Priscila Longhin; Melo, Thais Regina Ferreira; Vizioli, Ednir Oliveira; dos Santos, Jean Leandro; Chung, Man Chin

    2011-01-01

    The design of new drugs with better physiochemical properties, adequate absorption, distribution, metabolism, and excretion, effective pharmacologic potency and lacking toxicity remains is a challenge. Inflammation is the initial trigger of several different diseases, such as Alzheimer's disease, asthma, atherosclerosis, colitis, rheumatoid arthritis, depression, cancer; and disorders such as obesity and sexual dysfunction. Although inflammation is not the direct cause of these disorders, inflammatory processes often increase related pain and suffering. New anti-inflammatory drugs developed using molecular hybridization techniques to obtain multiple-ligand drugs can act at one or multiple targets, allowing for synergic action and minimizing toxicity. This work is a review of new anti-inflammatory drugs developed using the molecular modification approach.

  15. INTERDISCIPLINARY PHYSICS AND RELATED AREAS OF SCIENCE AND TECHNOLOGY: Monte—Carlo Simulation of Multiple-Molecular-Motor Transport

    NASA Astrophysics Data System (ADS)

    Wang, Zi-Qing; Wang, Guo-Dong; Shen, Wei-Bo

    2010-10-01

    Multimotor transport is studied by Monte-Carlo simulation with consideration of motor detachment from the filament. Our work shows, in the case of low load, the velocity of multi-motor system can decrease or increase with increasing motor numbers depending on the single motor force-velocity curve. The stall force and run-length reduced greatly compared to other models. Especially in the case of low ATP concentrations, the stall force of multi motor transport even smaller than the single motor's stall force.

  16. Rationally designed molecular beacons for bioanalytical and biomedical applications.

    PubMed

    Zheng, Jing; Yang, Ronghua; Shi, Muling; Wu, Cuichen; Fang, Xiaohong; Li, Yinhui; Li, Jishan; Tan, Weihong

    2015-05-21

    Nucleic acids hold promise as biomolecules for future applications in biomedicine and biotechnology. Their well-defined structures and compositions afford unique chemical properties and biological functions. Moreover, the specificity of hydrogen-bonded Watson-Crick interactions allows the construction of nucleic acid sequences with multiple functions. In particular, the development of nucleic acid probes as essential molecular engineering tools will make a significant contribution to advancements in biosensing, bioimaging and therapy. The molecular beacon (MB), first conceptualized by Tyagi and Kramer in 1996, is an excellent example of a double-stranded nucleic acid (dsDNA) probe. Although inactive in the absence of a target, dsDNA probes can report the presence of a specific target through hybridization or a specific recognition-triggered change in conformation. MB probes are typically fluorescently labeled oligonucleotides that range from 25 to 35 nucleotides (nt) in length, and their structure can be divided into three components: stem, loop and reporter. The intrinsic merit of MBs depends on predictable design, reproducibility of synthesis, simplicity of modification, and built-in signal transduction. Using resonance energy transfer (RET) for signal transduction, MBs are further endowed with increased sensitivity, rapid response and universality, making them ideal for chemical sensing, environmental monitoring and biological imaging, in contrast to other nucleic acid probes. Furthermore, integrating MBs with targeting ligands or molecular drugs can substantially support their in vivo applications in theranositics. In this review, we survey advances in bioanalytical and biomedical applications of rationally designed MBs, as they have evolved through the collaborative efforts of many researchers. We first discuss improvements to the three components of MBs: stem, loop and reporter. The current applications of MBs in biosensing, bioimaging and therapy will then

  17. Engineering of a novel Ca{sup 2+}-regulated kinesin molecular motor using a calmodulin dimer linker

    SciTech Connect

    Shishido, Hideki; Maruta, Shinsaku

    2012-06-29

    Highlights: Black-Right-Pointing-Pointer Engineered kinesin-M13 and calmodulin involving single cysteine were prepared. Black-Right-Pointing-Pointer CaM mutant was cross-linked to dimer by bifunctional thiol reactive reagent. Black-Right-Pointing-Pointer Kinesin-M13 was dimerized via CaM dimer in the presence of calcium. Black-Right-Pointing-Pointer Function of the engineered kinesin was regulated by a Ca{sup 2+}-calmodulin dimer linker. -- Abstract: The kinesin-microtubule system holds great promise as a molecular shuttle device within biochips. However, one current barrier is that such shuttles do not have 'on-off' control of their movement. Here we report the development of a novel molecular motor powered by an accelerator and brake system, using a kinesin monomer and a calmodulin (CaM) dimer. The kinesin monomer, K355, was fused with a CaM target peptide (M13 peptide) at the C-terminal part of the neck region (K355-M13). We also prepared CaM dimers using CaM mutants (Q3C), (R86C), or (A147C) and crosslinkers that react with cysteine residues. Following induction of K355-M13 dimerization with CaM dimers, we measured K355-M13 motility and found that it can be reversibly regulated in a Ca{sup 2+}-dependent manner. We also found that velocities of K355-M13 varied depending on the type and crosslink position of the CaM dimer used; crosslink length also had a moderate effect on motility. These results suggest Ca{sup 2+}-dependent dimerization of K355-M13 could be used as a novel molecular shuttle, equipped with an accelerator and brake system, for biochip applications.

  18. Segmented molecular design of self-healing proteinaceous materials

    PubMed Central

    Sariola, Veikko; Pena-Francesch, Abdon; Jung, Huihun; Çetinkaya, Murat; Pacheco, Carlos; Sitti, Metin; Demirel, Melik C.

    2015-01-01

    Hierarchical assembly of self-healing adhesive proteins creates strong and robust structural and interfacial materials, but understanding of the molecular design and structure–property relationships of structural proteins remains unclear. Elucidating this relationship would allow rational design of next generation genetically engineered self-healing structural proteins. Here we report a general self-healing and -assembly strategy based on a multiphase recombinant protein based material. Segmented structure of the protein shows soft glycine- and tyrosine-rich segments with self-healing capability and hard beta-sheet segments. The soft segments are strongly plasticized by water, lowering the self-healing temperature close to body temperature. The hard segments self-assemble into nanoconfined domains to reinforce the material. The healing strength scales sublinearly with contact time, which associates with diffusion and wetting of autohesion. The finding suggests that recombinant structural proteins from heterologous expression have potential as strong and repairable engineering materials. PMID:26323335

  19. Segmented molecular design of self-healing proteinaceous materials

    NASA Astrophysics Data System (ADS)

    Sariola, Veikko; Pena-Francesch, Abdon; Jung, Huihun; Çetinkaya, Murat; Pacheco, Carlos; Sitti, Metin; Demirel, Melik C.

    2015-09-01

    Hierarchical assembly of self-healing adhesive proteins creates strong and robust structural and interfacial materials, but understanding of the molecular design and structure-property relationships of structural proteins remains unclear. Elucidating this relationship would allow rational design of next generation genetically engineered self-healing structural proteins. Here we report a general self-healing and -assembly strategy based on a multiphase recombinant protein based material. Segmented structure of the protein shows soft glycine- and tyrosine-rich segments with self-healing capability and hard beta-sheet segments. The soft segments are strongly plasticized by water, lowering the self-healing temperature close to body temperature. The hard segments self-assemble into nanoconfined domains to reinforce the material. The healing strength scales sublinearly with contact time, which associates with diffusion and wetting of autohesion. The finding suggests that recombinant structural proteins from heterologous expression have potential as strong and repairable engineering materials.

  20. Segmented molecular design of self-healing proteinaceous materials.

    PubMed

    Sariola, Veikko; Pena-Francesch, Abdon; Jung, Huihun; Çetinkaya, Murat; Pacheco, Carlos; Sitti, Metin; Demirel, Melik C

    2015-09-01

    Hierarchical assembly of self-healing adhesive proteins creates strong and robust structural and interfacial materials, but understanding of the molecular design and structure-property relationships of structural proteins remains unclear. Elucidating this relationship would allow rational design of next generation genetically engineered self-healing structural proteins. Here we report a general self-healing and -assembly strategy based on a multiphase recombinant protein based material. Segmented structure of the protein shows soft glycine- and tyrosine-rich segments with self-healing capability and hard beta-sheet segments. The soft segments are strongly plasticized by water, lowering the self-healing temperature close to body temperature. The hard segments self-assemble into nanoconfined domains to reinforce the material. The healing strength scales sublinearly with contact time, which associates with diffusion and wetting of autohesion. The finding suggests that recombinant structural proteins from heterologous expression have potential as strong and repairable engineering materials.

  1. Molecular mapping of movement-associated areas in the avian brain: a motor theory for vocal learning origin.

    PubMed

    Feenders, Gesa; Liedvogel, Miriam; Rivas, Miriam; Zapka, Manuela; Horita, Haruhito; Hara, Erina; Wada, Kazuhiro; Mouritsen, Henrik; Jarvis, Erich D

    2008-03-12

    Vocal learning is a critical behavioral substrate for spoken human language. It is a rare trait found in three distantly related groups of birds-songbirds, hummingbirds, and parrots. These avian groups have remarkably similar systems of cerebral vocal nuclei for the control of learned vocalizations that are not found in their more closely related vocal non-learning relatives. These findings led to the hypothesis that brain pathways for vocal learning in different groups evolved independently from a common ancestor but under pre-existing constraints. Here, we suggest one constraint, a pre-existing system for movement control. Using behavioral molecular mapping, we discovered that in songbirds, parrots, and hummingbirds, all cerebral vocal learning nuclei are adjacent to discrete brain areas active during limb and body movements. Similar to the relationships between vocal nuclei activation and singing, activation in the adjacent areas correlated with the amount of movement performed and was independent of auditory and visual input. These same movement-associated brain areas were also present in female songbirds that do not learn vocalizations and have atrophied cerebral vocal nuclei, and in ring doves that are vocal non-learners and do not have cerebral vocal nuclei. A compilation of previous neural tracing experiments in songbirds suggests that the movement-associated areas are connected in a network that is in parallel with the adjacent vocal learning system. This study is the first global mapping that we are aware for movement-associated areas of the avian cerebrum and it indicates that brain systems that control vocal learning in distantly related birds are directly adjacent to brain systems involved in movement control. Based upon these findings, we propose a motor theory for the origin of vocal learning, this being that the brain areas specialized for vocal learning in vocal learners evolved as a specialization of a pre-existing motor pathway that controls

  2. Molecular mapping of movement-associated areas in the avian brain: a motor theory for vocal learning origin.

    PubMed

    Feenders, Gesa; Liedvogel, Miriam; Rivas, Miriam; Zapka, Manuela; Horita, Haruhito; Hara, Erina; Wada, Kazuhiro; Mouritsen, Henrik; Jarvis, Erich D

    2008-01-01

    Vocal learning is a critical behavioral substrate for spoken human language. It is a rare trait found in three distantly related groups of birds-songbirds, hummingbirds, and parrots. These avian groups have remarkably similar systems of cerebral vocal nuclei for the control of learned vocalizations that are not found in their more closely related vocal non-learning relatives. These findings led to the hypothesis that brain pathways for vocal learning in different groups evolved independently from a common ancestor but under pre-existing constraints. Here, we suggest one constraint, a pre-existing system for movement control. Using behavioral molecular mapping, we discovered that in songbirds, parrots, and hummingbirds, all cerebral vocal learning nuclei are adjacent to discrete brain areas active during limb and body movements. Similar to the relationships between vocal nuclei activation and singing, activation in the adjacent areas correlated with the amount of movement performed and was independent of auditory and visual input. These same movement-associated brain areas were also present in female songbirds that do not learn vocalizations and have atrophied cerebral vocal nuclei, and in ring doves that are vocal non-learners and do not have cerebral vocal nuclei. A compilation of previous neural tracing experiments in songbirds suggests that the movement-associated areas are connected in a network that is in parallel with the adjacent vocal learning system. This study is the first global mapping that we are aware for movement-associated areas of the avian cerebrum and it indicates that brain systems that control vocal learning in distantly related birds are directly adjacent to brain systems involved in movement control. Based upon these findings, we propose a motor theory for the origin of vocal learning, this being that the brain areas specialized for vocal learning in vocal learners evolved as a specialization of a pre-existing motor pathway that controls

  3. EDITORIAL: Design and function of molecular and bioelectronics devices

    NASA Astrophysics Data System (ADS)

    Krstic, Predrag; Forzani, Erica; Tao, Nongjian; Korkin, Anatoli

    2007-10-01

    Further rapid progress of electronics, in particular the increase of computer power and breakthroughs in sensor technology for industrial, medical diagnostics and environmental applications, strongly depends on the scaling of electronic devices, ultimately to the size of molecules. Design of controllable molecular-scale devices may resolve the problem of energy dissipation at the nanoscale and take advantage of molecular self-assembly in the so-called bottom-up approach. This special issue of Nanotechnology is devoted to a better understanding of the function and design of molecular-scale devices that are relevant to future electronics and sensor technology. Papers contained in this special issue are selected from the symposium Nano and Giga Challenges in Electronics and Photonics: From Atoms to Materials to Devices to System Architecture (12-16 March, 2007, Phoenix, Arizona, USA), as well as from original and novel scientific contributions of invited world-renown researchers. It addresses both theoretical and experimental achievements in the fields of molecular and bioelectronics, chemical and biosensors at the molecular level, including carbon nanotubes, novel nanostructures, as well as related research areas and industrial applications. The conference series Nano and Giga Challenges in Electronics and Photonics was launched as a truly interdisciplinary forum to bridge scientists and engineers to work across boundaries in the design of future information technologies, from atoms to materials to devices to system architecture. Following the first two successful meetings in Moscow, Russia (NGCM2002) and Krakow, Poland (NGCM2004), the third Nano and Giga Forum (NGC2007) was held in 2007 hosted by Arizona State University. Besides this special issue of Nanotechnology, two other collections (in the journal Solid State Electronics and the tutorial book in the series Nanostructure Science and Technology Springer) have published additional selected and invited papers

  4. Design and function of molecular and bioelectronics devices.

    PubMed

    Krstic, Predrag; Forzani, Erica; Tao, Nongjian; Korkin, Anatoli

    2007-10-24

    Further rapid progress of electronics, in particular the increase of computer power and breakthroughs in sensor technology for industrial, medical diagnostics and environmental applications, strongly depends on the scaling of electronic devices, ultimately to the size of molecules. Design of controllable molecular-scale devices may resolve the problem of energy dissipation at the nanoscale and take advantage of molecular self-assembly in the so-called bottom-up approach. This special issue of Nanotechnology is devoted to a better understanding of the function and design of molecular-scale devices that are relevant to future electronics and sensor technology. Papers contained in this special issue are selected from the symposium Nano and Giga Challenges in Electronics and Photonics: From Atoms to Materials to Devices to System Architecture (12-16 March, 2007, Phoenix, Arizona, USA), as well as from original and novel scientific contributions of invited world-renown researchers. It addresses both theoretical and experimental achievements in the fields of molecular and bioelectronics, chemical and biosensors at the molecular level, including carbon nanotubes, novel nanostructures, as well as related research areas and industrial applications. The conference series Nano and Giga Challenges in Electronics and Photonics was launched as a truly interdisciplinary forum to bridge scientists and engineers to work across boundaries in the design of future information technologies, from atoms to materials to devices to system architecture. Following the first two successful meetings in Moscow, Russia (NGCM2002) and Krakow, Poland (NGCM2004), the third Nano and Giga Forum (NGC2007) was held in 2007 hosted by Arizona State University. Besides this special issue of Nanotechnology, two other collections (in the journal Solid State Electronics and the tutorial book in the series Nanostructure Science and Technology Springer) have published additional selected and invited papers

  5. Design and function of molecular and bioelectronics devices.

    PubMed

    Krstic, Predrag; Forzani, Erica; Tao, Nongjian; Korkin, Anatoli

    2007-10-24

    Further rapid progress of electronics, in particular the increase of computer power and breakthroughs in sensor technology for industrial, medical diagnostics and environmental applications, strongly depends on the scaling of electronic devices, ultimately to the size of molecules. Design of controllable molecular-scale devices may resolve the problem of energy dissipation at the nanoscale and take advantage of molecular self-assembly in the so-called bottom-up approach. This special issue of Nanotechnology is devoted to a better understanding of the function and design of molecular-scale devices that are relevant to future electronics and sensor technology. Papers contained in this special issue are selected from the symposium Nano and Giga Challenges in Electronics and Photonics: From Atoms to Materials to Devices to System Architecture (12-16 March, 2007, Phoenix, Arizona, USA), as well as from original and novel scientific contributions of invited world-renown researchers. It addresses both theoretical and experimental achievements in the fields of molecular and bioelectronics, chemical and biosensors at the molecular level, including carbon nanotubes, novel nanostructures, as well as related research areas and industrial applications. The conference series Nano and Giga Challenges in Electronics and Photonics was launched as a truly interdisciplinary forum to bridge scientists and engineers to work across boundaries in the design of future information technologies, from atoms to materials to devices to system architecture. Following the first two successful meetings in Moscow, Russia (NGCM2002) and Krakow, Poland (NGCM2004), the third Nano and Giga Forum (NGC2007) was held in 2007 hosted by Arizona State University. Besides this special issue of Nanotechnology, two other collections (in the journal Solid State Electronics and the tutorial book in the series Nanostructure Science and Technology Springer) have published additional selected and invited papers

  6. Physics in cell biology: on the physics of biopolymers and molecular motors.

    PubMed

    Frey, Erwin

    2002-03-12

    "What is Life?" is the title of a book by Erwin Schrödinger, first published in 1944. This book is a bold attempt to try to understand some of the wonders of life in terms of physics, in particular statistical mechanics. Since the publication of this visionary book, we have seen a revolution in molecular biology complemented by the development of new physical tools like single-molecule spectroscopy. The goal of this article is to highlight some examples where physics can contribute to questions in cell biology. One might hope that through interdisciplinary research one can get closer to answering Schrödinger's fundamental question.

  7. Molecular Design of Branched and Binary Molecules at Ordered Interfaces

    SciTech Connect

    Genson, Kirsten Larson

    2005-01-01

    This study examined five different branched molecular architectures to discern the effect of design on the ability of molecules to form ordered structures at interfaces. Photochromic monodendrons formed kinked packing structures at the air-water interface due to the cross-sectional area mismatch created by varying number of alkyl tails and the hydrophilic polar head group. The lower generations formed orthorhombic unit cell with long range ordering despite the alkyl tails tilted to a large degree. Favorable interactions between liquid crystalline terminal groups and the underlying substrate were observed to compel a flexible carbosilane dendrimer core to form a compressed elliptical conformation which packed stagger within lamellae domains with limited short range ordering. A twelve arm binary star polymer was observed to form two dimensional micelles at the air-water interface attributed to the higher polystyrene block composition. Linear rod-coil molecules formed a multitude of packing structures at the air-water interface due to the varying composition. Tree-like rod-coil molecules demonstrated the ability to form one-dimensional structures at the air-water interface and at the air-solvent interface caused by the preferential ordering of the rigid rod cores. The role of molecular architecture and composition was examined and the influence chemically competing fragments was shown to exert on the packing structure. The amphiphilic balance of the different molecular series exhibited control on the ordering behavior at the air-water interface and within bulk structures. The shell nature and tail type was determined to dictate the preferential ordering structure and molecular reorganization at interfaces with the core nature effect secondary.

  8. Analysis of a new PM motor design for a rotary dynamic blood Pump.

    PubMed

    Xu, L; Wang, F; Fu, M; Medvedev, A; Smith, W A; Golding, L A

    1997-01-01

    The permanent magnet (PM) motor for a rotary dynamic blood pump requires high power density to coordinate the motor size with the limited pump space and high efficiency to reduce the size and weight of the associated batteries. The motor also serves as a passive axial magnetic thrust bearing, a reacting hydraulic force, and provides a stabilizing force for the radial journal bearing. This article presents analysis of a new PM motor for the blood pump application. High power density is achieved by using the Halbach magnetic array, and high efficiency is accomplished by optimizing the rotor magnet assembly and the stator slots/windings. While both radial and axial forces are greatly enhanced, pulsating components of the torque and force are also significantly reduced. PMID:9360106

  9. Environmental Design Shapes Perceptual-motor Exploration, Learning, and Transfer in Climbing.

    PubMed

    Seifert, Ludovic; Boulanger, Jérémie; Orth, Dominic; Davids, Keith

    2015-01-01

    This study investigated how environmental design shapes perceptual-motor exploration, when meta-stable regions of performance are created. Here, we examined how creating meta-stable regions of performance could destabilize pre-existing skills, favoring greater exploration of performance environments, exemplified in this study by climbing surfaces. In this investigation we manipulated hold orientations on an indoor climbing wall to examine how nine climbers explored, learned, and transferred various trunk-rolling motion patterns and hand grasping movements. The learning protocol consisted of four sessions, in which climbers randomly ascended three different routes, as fluently as possible. All three routes were 10.3 m in height and composed of 20 hand-holds at the same locations on an artificial climbing wall; only hold orientations were altered: (i) a horizontal-edge route was designed to afford horizontal hold grasping, (ii) a vertical-edge route afforded vertical hold grasping, and (iii), a double-edge route was designed to afford both horizontal and vertical hold grasping. As a meta-stable condition of performance invite an individual to both exploit his pre-existing behavioral repertoire (i.e., horizontal hold grasping pattern and trunk face to the wall) and explore new behaviors (i.e., vertical hold grasping and trunk side to the wall), it was hypothesized that the double-edge route characterized a meta-stable region of performance. Data were collected from inertial measurement units located on the neck and hip of each climber, allowing us to compute rolling motion referenced to the artificial climbing wall. Information on ascent duration, the number of exploratory and performatory movements for locating hand-holds, and hip path was also observed in video footage from a frontal camera worn by participants. Climbing fluency was assessed by calculating geometric index of entropy. Results showed that the meta-stable condition of performance may have afforded

  10. Environmental Design Shapes Perceptual-motor Exploration, Learning, and Transfer in Climbing

    PubMed Central

    Seifert, Ludovic; Boulanger, Jérémie; Orth, Dominic; Davids, Keith

    2015-01-01

    This study investigated how environmental design shapes perceptual-motor exploration, when meta-stable regions of performance are created. Here, we examined how creating meta-stable regions of performance could destabilize pre-existing skills, favoring greater exploration of performance environments, exemplified in this study by climbing surfaces. In this investigation we manipulated hold orientations on an indoor climbing wall to examine how nine climbers explored, learned, and transferred various trunk-rolling motion patterns and hand grasping movements. The learning protocol consisted of four sessions, in which climbers randomly ascended three different routes, as fluently as possible. All three routes were 10.3 m in height and composed of 20 hand-holds at the same locations on an artificial climbing wall; only hold orientations were altered: (i) a horizontal-edge route was designed to afford horizontal hold grasping, (ii) a vertical-edge route afforded vertical hold grasping, and (iii), a double-edge route was designed to afford both horizontal and vertical hold grasping. As a meta-stable condition of performance invite an individual to both exploit his pre-existing behavioral repertoire (i.e., horizontal hold grasping pattern and trunk face to the wall) and explore new behaviors (i.e., vertical hold grasping and trunk side to the wall), it was hypothesized that the double-edge route characterized a meta-stable region of performance. Data were collected from inertial measurement units located on the neck and hip of each climber, allowing us to compute rolling motion referenced to the artificial climbing wall. Information on ascent duration, the number of exploratory and performatory movements for locating hand-holds, and hip path was also observed in video footage from a frontal camera worn by participants. Climbing fluency was assessed by calculating geometric index of entropy. Results showed that the meta-stable condition of performance may have afforded

  11. Design and analysis of new fault-tolerant permanent magnet motors for four-wheel-driving electric vehicles

    NASA Astrophysics Data System (ADS)

    Liu, Guohai; Gong, Wensheng; Chen, Qian; Jian, Linni; Shen, Yue; Zhao, Wenxiang

    2012-04-01

    In this paper, a novel in-wheel permanent-magnet (PM) motor for four-wheel-driving electrical vehicles is proposed. It adopts an outer-rotor topology, which can help generate a large drive torque, in order to achieve prominent dynamic performance of the vehicle. Moreover, by adopting single-layer concentrated-windings, fault-tolerant teeth, and the optimal combination of slot and pole numbers, the proposed motor inherently offers negligible electromagnetic coupling between different phase windings, hence, it possesses a fault-tolerant characteristic. Meanwhile, the phase back electromotive force waveforms can be designed to be sinusoidal by employing PMs with a trapezoidal shape, eccentric armature teeth, and unequal tooth widths. The electromagnetic performance is comprehensively investigated and the optimal design is conducted by using the finite-element method.

  12. From molecular design and materials construction to organic nanophotonic devices.

    PubMed

    Zhang, Chuang; Yan, Yongli; Zhao, Yong Sheng; Yao, Jiannian

    2014-12-16

    CONSPECTUS: Nanophotonics has recently received broad research interest, since it may provide an alternative opportunity to overcome the fundamental limitations in electronic circuits. Diverse optical materials down to the wavelength scale are required to develop nanophotonic devices, including functional components for light emission, transmission, and detection. During the past decade, the chemists have made their own contributions to this interdisciplinary field, especially from the controlled fabrication of nanophotonic molecules and materials. In this context, organic micro- or nanocrystals have been developed as a very promising kind of building block in the construction of novel units for integrated nanophotonics, mainly due to the great versatility in organic molecular structures and their flexibility for the subsequent processing. Following the pioneering works on organic nanolasers and optical waveguides, the organic nanophotonic materials and devices have attracted increasing interest and developed rapidly during the past few years. In this Account, we review our research on the photonic performance of molecular micro- or nanostructures and the latest breakthroughs toward organic nanophotonic devices. Overall, the versatile features of organic materials are highlighted, because they brings tunable optical properties based on molecular design, size-dependent light confinement in low-dimensional structures, and various device geometries for nanophotonic integration. The molecular diversity enables abundant optical transitions in conjugated π-electron systems, and thus brings specific photonic functions into molecular aggregates. The morphology of these micro- or nanostructures can be further controlled based on the weak intermolecular interactions during molecular assembly process, making the aggregates show photon confinement or light guiding properties as nanophotonic materials. By adoption of some active processes in the composite of two or more

  13. From molecular design and materials construction to organic nanophotonic devices.

    PubMed

    Zhang, Chuang; Yan, Yongli; Zhao, Yong Sheng; Yao, Jiannian

    2014-12-16

    CONSPECTUS: Nanophotonics has recently received broad research interest, since it may provide an alternative opportunity to overcome the fundamental limitations in electronic circuits. Diverse optical materials down to the wavelength scale are required to develop nanophotonic devices, including functional components for light emission, transmission, and detection. During the past decade, the chemists have made their own contributions to this interdisciplinary field, especially from the controlled fabrication of nanophotonic molecules and materials. In this context, organic micro- or nanocrystals have been developed as a very promising kind of building block in the construction of novel units for integrated nanophotonics, mainly due to the great versatility in organic molecular structures and their flexibility for the subsequent processing. Following the pioneering works on organic nanolasers and optical waveguides, the organic nanophotonic materials and devices have attracted increasing interest and developed rapidly during the past few years. In this Account, we review our research on the photonic performance of molecular micro- or nanostructures and the latest breakthroughs toward organic nanophotonic devices. Overall, the versatile features of organic materials are highlighted, because they brings tunable optical properties based on molecular design, size-dependent light confinement in low-dimensional structures, and various device geometries for nanophotonic integration. The molecular diversity enables abundant optical transitions in conjugated π-electron systems, and thus brings specific photonic functions into molecular aggregates. The morphology of these micro- or nanostructures can be further controlled based on the weak intermolecular interactions during molecular assembly process, making the aggregates show photon confinement or light guiding properties as nanophotonic materials. By adoption of some active processes in the composite of two or more

  14. M(o)TOR of aging: MTOR as a universal molecular hypothalamus.

    PubMed

    Blagosklonny, Mikhail V

    2013-07-01

    A recent ground-breaking publication described hypothalamus-driven programmatic aging. As a Russian proverb goes "everything new is well-forgotten old". In 1958, Dilman proposed that aging and its related diseases are programmed by the hypothalamus. This theory, supported by beautiful experiments, remained unnoticed just to be re-discovered recently. Yet, it does not explain all manifestations of aging. And would organism age without hypothalamus? Do sensing pathways such as MTOR (mechanistic Target of Rapamycin) and IKK-beta play a role of a "molecular hypothalamus" in every cell? Are hypothalamus-driven alterations simply a part of quasi-programmed aging manifested by hyperfunction and secondary signal-resistance? Here are some answers.

  15. Taking a molecular motor for a spin: helicase mechanism studied by spin labeling and PELDOR

    PubMed Central

    Constantinescu-Aruxandei, Diana; Petrovic-Stojanovska, Biljana; Schiemann, Olav; Naismith, James H.; White, Malcolm F.

    2016-01-01

    The complex molecular motions central to the functions of helicases have long attracted attention. Protein crystallography has provided transformative insights into these dynamic conformational changes, however important questions about the true nature of helicase configurations during the catalytic cycle remain. Using pulsed EPR (PELDOR or DEER) to measure interdomain distances in solution, we have examined two representative helicases: PcrA from superfamily 1 and XPD from superfamily 2. The data show that PcrA is a dynamic structure with domain movements that correlate with particular functional states, confirming and extending the information gleaned from crystal structures and other techniques. XPD in contrast is shown to be a rigid protein with almost no conformational changes resulting from nucleotide or DNA binding, which is well described by static crystal structures. Our results highlight the complimentary nature of PELDOR to crystallography and the power of its precision in understanding the conformational changes relevant to helicase function. PMID:26657627

  16. Taking a molecular motor for a spin: helicase mechanism studied by spin labeling and PELDOR.

    PubMed

    Constantinescu-Aruxandei, Diana; Petrovic-Stojanovska, Biljana; Schiemann, Olav; Naismith, James H; White, Malcolm F

    2016-01-29

    The complex molecular motions central to the functions of helicases have long attracted attention. Protein crystallography has provided transformative insights into these dynamic conformational changes, however important questions about the true nature of helicase configurations during the catalytic cycle remain. Using pulsed EPR (PELDOR or DEER) to measure interdomain distances in solution, we have examined two representative helicases: PcrA from superfamily 1 and XPD from superfamily 2. The data show that PcrA is a dynamic structure with domain movements that correlate with particular functional states, confirming and extending the information gleaned from crystal structures and other techniques. XPD in contrast is shown to be a rigid protein with almost no conformational changes resulting from nucleotide or DNA binding, which is well described by static crystal structures. Our results highlight the complimentary nature of PELDOR to crystallography and the power of its precision in understanding the conformational changes relevant to helicase function. PMID:26657627

  17. Three decades of structure- and property-based molecular design.

    PubMed

    Müller, Klaus

    2014-01-01

    Roche has pioneered structure- and property-based molecular design to drug discovery. While this is an ongoing development, the past three decades feature key events that have revolutionized the way drug discovery is conducted in Big Pharma industry. It has been a great privilege to have been involved in this transformation process, to have been able to collaborate with, direct, guide, or simply encourage outstanding experts in various disciplines to build and further develop what has become a major pillar of modern small-molecule drug discovery. This article is an account of major events that took place since the early decision of Roche to implement computer-assisted molecular modeling 32 years ago and is devoted to the key players involved. It highlights the internal build-up of structural biology, with protein X-ray structure determination at its core, and the early setup of bioinformatics. It describes the strategic shift to large compound libraries and high-throughput screening with the development of novel compound storage and ultra-high-throughput screening facilities, as well as the strategic return to focused screening of small motif-based compound libraries. These developments were accompanied by the rise of miniaturized parallel compound property analytics which resulted in a major paradigm shift in medicinal chemistry from linear to multi-dimensional lead optimization. The rapid growth of huge collections of property data stimulated the development of various novel data mining concepts with 'matched molecular pair' analysis and novel variants thereof playing crucial roles. As compound properties got more prominent in molecular design, exploration of specific structural motifs for property modulation became a research activity complementary to target-oriented medicinal chemistry. The exploration of oxetane is given as an example. For the sake of brevity, this account cannot detail all further developments that have taken place in each individual area of

  18. Rationally designed molecular beacons for bioanalytical and biomedical applications.

    PubMed

    Zheng, Jing; Yang, Ronghua; Shi, Muling; Wu, Cuichen; Fang, Xiaohong; Li, Yinhui; Li, Jishan; Tan, Weihong

    2015-05-21

    Nucleic acids hold promise as biomolecules for future applications in biomedicine and biotechnology. Their well-defined structures and compositions afford unique chemical properties and biological functions. Moreover, the specificity of hydrogen-bonded Watson-Crick interactions allows the construction of nucleic acid sequences with multiple functions. In particular, the development of nucleic acid probes as essential molecular engineering tools will make a significant contribution to advancements in biosensing, bioimaging and therapy. The molecular beacon (MB), first conceptualized by Tyagi and Kramer in 1996, is an excellent example of a double-stranded nucleic acid (dsDNA) probe. Although inactive in the absence of a target, dsDNA probes can report the presence of a specific target through hybridization or a specific recognition-triggered change in conformation. MB probes are typically fluorescently labeled oligonucleotides that range from 25 to 35 nucleotides (nt) in length, and their structure can be divided into three components: stem, loop and reporter. The intrinsic merit of MBs depends on predictable design, reproducibility of synthesis, simplicity of modification, and built-in signal transduction. Using resonance energy transfer (RET) for signal transduction, MBs are further endowed with increased sensitivity, rapid response and universality, making them ideal for chemical sensing, environmental monitoring and biological imaging, in contrast to other nucleic acid probes. Furthermore, integrating MBs with targeting ligands or molecular drugs can substantially support their in vivo applications in theranositics. In this review, we survey advances in bioanalytical and biomedical applications of rationally designed MBs, as they have evolved through the collaborative efforts of many researchers. We first discuss improvements to the three components of MBs: stem, loop and reporter. The current applications of MBs in biosensing, bioimaging and therapy will then

  19. Comparing simulated emission from molecular clouds using experimental design

    SciTech Connect

    Yeremi, Miayan; Flynn, Mallory; Loeppky, Jason; Rosolowsky, Erik; Offner, Stella

    2014-03-10

    We propose a new approach to comparing simulated observations that enables us to determine the significance of the underlying physical effects. We utilize the methodology of experimental design, a subfield of statistical analysis, to establish a framework for comparing simulated position-position-velocity data cubes to each other. We propose three similarity metrics based on methods described in the literature: principal component analysis, the spectral correlation function, and the Cramer multi-variate two-sample similarity statistic. Using these metrics, we intercompare a suite of mock observational data of molecular clouds generated from magnetohydrodynamic simulations with varying physical conditions. Using this framework, we show that all three metrics are sensitive to changing Mach number and temperature in the simulation sets, but cannot detect changes in magnetic field strength and initial velocity spectrum. We highlight the shortcomings of one-factor-at-a-time designs commonly used in astrophysics and propose fractional factorial designs as a means to rigorously examine the effects of changing physical properties while minimizing the investment of computational resources.

  20. Dynamic model tracking design for low inertia, high speed permanent magnet ac motors.

    PubMed

    Stewart, P; Kadirkamanathan, V

    2004-01-01

    Permanent magnet ac (PMAC) motors have existed in various configurations for many years. The advent of rare-earth magnets and their associated highly elevated levels of magnetic flux makes the permanent magnet motor attractive for many high performance applications from computer disk drives to all electric racing cars. The use of batteries as a prime storage element carries a cost penalty in terms of the unladen weight of the vehicle. Minimizing this cost function requires the minimum electric motor size and weight to be specified, while still retaining acceptable levels of output torque. This tradeoff can be achieved by applying a technique known as flux weakening which will be investigated in this paper. The technique allows the speed range of a PMAC motor to be greatly increased, giving a constant power range of more than 4:1. A dynamic model reference controller is presented which has advantages in ease of implementation, and is particularly suited to dynamic low inertia applications such as clutchless gear changing in high performance electric vehicles. The benefits of this approach are to maximize the torque speed envelope of the motor, particularly advantageous when considering low inertia operation. The controller is examined experimentally, confirming the predicted performance.

  1. Converting conformational changes to electrostatic energy in molecular motors: The energetics of ATP synthase

    NASA Astrophysics Data System (ADS)

    Trajbl, Marek; Shurki, Avital; Warshel, Arieh

    2003-12-01

    F1-ATPase is the catalytic component of the ATP synthase molecular machine responsible for most of the uphill synthesis of ATP in living systems. The enormous advances in biochemical and structural studies of this machine provide an opportunity for detailed understanding of the nature of its rotary mechanism. However, further quantitative progress in this direction requires development of reliable ways of translating the observed structural changes to the corresponding energies. This requirement is particularly challenging because we are dealing with a large system that couples major structural changes with a chemical process. The present work provides such a structure-function correlation by using the linear response approximation to describe the rotary mechanism. This approach allows one to evaluate the energy of transitions between different conformational states by considering only the changes in the corresponding electrostatic energies of the ligands. The relevant energetics are also obtained by calculating the linear response approximation-based free energies of transferring the ligands from water to the different sites of F1-ATPase in their different conformational states. We also use the empirical valence bond approach to evaluate the actual free-energy profile for the ATP synthesis in the different conformational states of the system. Integrating the information from the different approaches provides a semiquantitative structure-function correlation for F1-ATPase. It is found that the conformational changes are converted to changes in the electrostatic interaction between the protein and its ligands, which drives the ATP synthesis.

  2. Elasticity of a semiflexible filament with a discontinuous tension due to a cross-link or a molecular motor

    NASA Astrophysics Data System (ADS)

    Razbin, Mohammadhosein; Benetatos, Panayotis; Zippelius, Annette

    2016-05-01

    We analyze the stretching elasticity of a wormlike chain with a tension discontinuity resulting from a Hookean spring connecting its backbone to a fixed point. The elasticity of isolated semiflexible filaments has been the subject in a significant body of literature, primarily because of its relevance to the mechanics of biological matter. In real systems, however, these filaments are usually part of supramolecular structures involving cross-linkers or molecular motors, which cause tension discontinuities. Our model is intended as a minimal structural element incorporating such a discontinuity. We obtain analytical results in the weakly bending limit of the filament, concerning its force-extension relation and the response of the two parts in which the filament is divided by the spring. For a small tension discontinuity, the linear response of the filament extension to this discontinuity strongly depends on the external tension. For large external tension f , the spring force contributes a subdominant correction ˜1 /f3 /2 to the well-known ˜1 /√{f } -dependence of the end-to-end extension.

  3. Advanced Motors

    SciTech Connect

    Knoth, Edward A; Chelluri, Bhanumathi; Schumaker, Edward J

    2012-12-14

    vProject Summary Transportation energy usage is predicted to increase substantially by 2020. Hybrid vehicles and fuel cell powered vehicles are destined to become more prominent as fuel prices rise with the demand. Hybrid and fuel cell vehicle platforms are both dependent on high performance electric motors. Electric motors for transportation duty will require sizeable low-speed torque to accelerate the vehicle. As motor speed increases, the torque requirement decreases which results in a nearly constant power motor output. Interior permanent magnet synchronous motors (IPMSM) are well suited for this duty. , , These rotor geometries are configured in straight lines and semi circular arc shapes. These designs are of limited configurations because of the lack of availability of permanent magnets of any other shapes at present. We propose to fabricate rotors via a novel processing approach where we start with magnet powders and compact them into a net shape rotor in a single step. Using this approach, widely different rotor designs can be implemented for efficiency. The current limitation on magnet shape and thickness will be eliminated. This is accomplished by co-filling magnet and soft iron powders at specified locations in intricate shapes using specially designed dies and automatic powder filling station. The process fundamentals for accomplishing occurred under a previous Applied Technology Program titled, Motors and Generators for the 21st Century. New efficient motor designs that are not currently possible (or cost prohibitive) can be accomplished by this approach. Such an approach to motor fabrication opens up a new dimension in motor design. Feasibility Results We were able to optimize a IPMSM rotor to take advantage of the powder co-filling and DMC compaction processing methods. The minimum low speed torque requirement of 5 N-m can be met through an optimized design with magnet material having a Br capability of 0.2 T. This level of magnetic performance can

  4. L-shaped piezoelectric motor--part I: design and experimental analysis.

    PubMed

    Avirovik, Dragan; Priya, Shashank

    2012-01-01

    This paper proposes an L-shaped piezoelectric motor consisting of two piezoelectric bimorphs of different lengths arranged perpendicularly to each other. The coupling of the bending vibration mode of the bimorphs results in an elliptical motion at the tip. A detailed finite element model was developed to optimize the dimensions of bimorph to achieve an effective coupling at the resonance frequency of 246 Hz. The motor was characterized by developing rotational and linear stages. The linear stage was tested with different friction contact surfaces and the maximum velocity was measured to be 12 mm/s. The rotational stage was used to obtain additional performance characteristics from the motor: maximum velocity of 120 rad/s, mechanical torque of 4.7 × 10-(5) N·m, and efficiency of 8.55%.

  5. Design of direct drive robot using indigenously developed d.c. torque motors

    NASA Astrophysics Data System (ADS)

    Athani, Vithal V.

    The range of high-performance torque motors, which were indigenously developed for use in multistage satellite launch vehicles, is described. The main features that set dc torque motors apart from dc servomotors are: high peak torque, power, and current over short periods of operation, low speed of operation, obviating the need for gearing, high torque/inertia and torque/weight ratios, and high figure of merit = torque/sq rt watt ratio. The dc torque motors are eminently suited to high-performance applications requiring high torque at low speed of operation, such as aircraft and missile control surface actuation, control of multistage satellite launch vehicles, certain computer peripherals like magnetic tape transports and hard disk drives, and robotics, CNC systems, and machine tool control.

  6. Optimal training design for procedural motor skills: a review and application to laparoscopic surgery.

    PubMed

    Spruit, Edward N; Band, Guido P H; Hamming, Jaap F; Ridderinkhof, K Richard

    2014-11-01

    This literature review covers the choices to consider in training complex procedural, perceptual and motor skills. In particular, we focus on laparoscopic surgery. An overview is provided of important training factors modulating the acquisition, durability, transfer, and efficiency of trained skills. We summarize empirical studies and their theoretical background on the topic of training complex cognitive and motor skills that are pertinent to proficiency in laparoscopic surgery. The overview pertains to surgical simulation training for laparoscopy, but also to training in other demanding procedural and dexterous tasks, such as aviation, managing complex systems and sports. Evidence-based recommendations are provided for facilitating efficiency in laparoscopic motor skill training such as session spacing, adaptive training, task variability, part-task training, mental imagery and deliberate practice.

  7. The Importance of Visual Feedback Design in BCIs; from Embodiment to Motor Imagery Learning.

    PubMed

    Alimardani, Maryam; Nishio, Shuichi; Ishiguro, Hiroshi

    2016-01-01

    Brain computer interfaces (BCIs) have been developed and implemented in many areas as a new communication channel between the human brain and external devices. Despite their rapid growth and broad popularity, the inaccurate performance and cost of user-training are yet the main issues that prevent their application out of the research and clinical environment. We previously introduced a BCI system for the control of a very humanlike android that could raise a sense of embodiment and agency in the operators only by imagining a movement (motor imagery) and watching the robot perform it. Also using the same setup, we further discovered that the positive bias of subjects' performance both increased their sensation of embodiment and improved their motor imagery skills in a short period. In this work, we studied the shared mechanism between the experience of embodiment and motor imagery. We compared the trend of motor imagery learning when two groups of subjects BCI-operated different looking robots, a very humanlike android's hands and a pair of metallic gripper. Although our experiments did not show a significant change of learning between the two groups immediately during one session, the android group revealed better motor imagery skills in the follow up session when both groups repeated the task using the non-humanlike gripper. This result shows that motor imagery skills learnt during the BCI-operation of humanlike hands are more robust to time and visual feedback changes. We discuss the role of embodiment and mirror neuron system in such outcome and propose the application of androids for efficient BCI training.

  8. The Importance of Visual Feedback Design in BCIs; from Embodiment to Motor Imagery Learning

    PubMed Central

    Alimardani, Maryam; Nishio, Shuichi; Ishiguro, Hiroshi

    2016-01-01

    Brain computer interfaces (BCIs) have been developed and implemented in many areas as a new communication channel between the human brain and external devices. Despite their rapid growth and broad popularity, the inaccurate performance and cost of user-training are yet the main issues that prevent their application out of the research and clinical environment. We previously introduced a BCI system for the control of a very humanlike android that could raise a sense of embodiment and agency in the operators only by imagining a movement (motor imagery) and watching the robot perform it. Also using the same setup, we further discovered that the positive bias of subjects’ performance both increased their sensation of embodiment and improved their motor imagery skills in a short period. In this work, we studied the shared mechanism between the experience of embodiment and motor imagery. We compared the trend of motor imagery learning when two groups of subjects BCI-operated different looking robots, a very humanlike android’s hands and a pair of metallic gripper. Although our experiments did not show a significant change of learning between the two groups immediately during one session, the android group revealed better motor imagery skills in the follow up session when both groups repeated the task using the non-humanlike gripper. This result shows that motor imagery skills learnt during the BCI-operation of humanlike hands are more robust to time and visual feedback changes. We discuss the role of embodiment and mirror neuron system in such outcome and propose the application of androids for efficient BCI training. PMID:27598310

  9. The Importance of Visual Feedback Design in BCIs; from Embodiment to Motor Imagery Learning.

    PubMed

    Alimardani, Maryam; Nishio, Shuichi; Ishiguro, Hiroshi

    2016-01-01

    Brain computer interfaces (BCIs) have been developed and implemented in many areas as a new communication channel between the human brain and external devices. Despite their rapid growth and broad popularity, the inaccurate performance and cost of user-training are yet the main issues that prevent their application out of the research and clinical environment. We previously introduced a BCI system for the control of a very humanlike android that could raise a sense of embodiment and agency in the operators only by imagining a movement (motor imagery) and watching the robot perform it. Also using the same setup, we further discovered that the positive bias of subjects' performance both increased their sensation of embodiment and improved their motor imagery skills in a short period. In this work, we studied the shared mechanism between the experience of embodiment and motor imagery. We compared the trend of motor imagery learning when two groups of subjects BCI-operated different looking robots, a very humanlike android's hands and a pair of metallic gripper. Although our experiments did not show a significant change of learning between the two groups immediately during one session, the android group revealed better motor imagery skills in the follow up session when both groups repeated the task using the non-humanlike gripper. This result shows that motor imagery skills learnt during the BCI-operation of humanlike hands are more robust to time and visual feedback changes. We discuss the role of embodiment and mirror neuron system in such outcome and propose the application of androids for efficient BCI training. PMID:27598310

  10. Initial design of 12S-10P outer-rotor field excitation flux switching motor with different rotor width

    NASA Astrophysics Data System (ADS)

    Othman, Syed Muhammad Naufal bin Syed; Sulaiman, Erwan bin; Husin, Zhafir Aizat; Khan, Faisal; Mazlan, Mohamed Mubin Aizat

    2015-05-01

    This paper proposes an initial design of 12 slot, 10 pole outer-rotor field-excitation flux switching motor (FEFSM) with two different rotor width based from 2 different formula to design the rotor width. Hence, initial design include the three coil test to determine the U, W, V-phase, the flux strengthening and weakening, flux at various armature coil and field-excitation coil current, and finally the torque at various JA and JE. As for the materials, the stator and rotor consists of steel sheets made of electromagnetic steels, copper for armature coils and field excitation coils as the only field for magnetic flux source. There will be some design specification and restriction on outer-rotor FEFSM based on 2D-Finite Element Analysis will be applied to design the proposed machine.

  11. Supramolecular assembly/reassembly processes: molecular motors and dynamers operating at surfaces

    NASA Astrophysics Data System (ADS)

    Ciesielski, Artur; Samorì, Paolo

    2011-04-01

    Among the many significant advances within the field of supramolecular chemistry over the past decades, the development of the so-called ``dynamers'' features a direct relevance to materials science. Defined as ``combinatorial dynamic polymers'', dynamers are constitutional dynamic systems and materials resulting from the application of the principles of supramolecular chemistry to polymer science. Like supramolecular materials in general, dynamers are reversible dynamic multifunctional architectures, capable of modifying their constitution by exchanging, recombining, incorporating components. They may exhibit a variety of novel properties and behave as adaptive materials. In this review we focus on the design of responsive switchable monolayers, i.e. monolayers capable to undergo significant changes in their physical or chemical properties as a result of external stimuli. Scanning tunneling microscopy studies provide direct evidence with a sub-nanometre resolution, on the formation and dynamic response of these self-assembled systems featuring controlled geometries and properties.

  12. Design comparison of single phase outer and inner-rotor hybrid excitation flux switching motor for hybrid electric vehicles

    NASA Astrophysics Data System (ADS)

    Mazlan, Mohamed Mubin Aizat; Sulaiman, Erwan; Husin, Zhafir Aizat; Othman, Syed Muhammad Naufal Syed; Khan, Faisal

    2015-05-01

    In hybrid excitation machines (HEMs), there are two main flux sources which are permanent magnet (PM) and field excitation coil (FEC). These HEMs have better features when compared with the interior permanent magnet synchronous machines (IPMSM) used in conventional hybrid electric vehicles (HEVs). Since all flux sources including PM, FEC and armature coils are located on the stator core, the rotor becomes a single piece structure similar with switch reluctance machine (SRM). The combined flux generated by PM and FEC established more excitation fluxes that are required to produce much higher torque of the motor. In addition, variable DC FEC can control the flux capabilities of the motor, thus the machine can be applied for high-speed motor drive system. In this paper, the comparisons of single-phase 8S-4P outer and inner rotor hybrid excitation flux switching machine (HEFSM) are presented. Initially, design procedures of the HEFSM including parts drawing, materials and conditions setting, and properties setting are explained. Flux comparisons analysis is performed to investigate the flux capabilities at various current densities. Then the flux linkages of PM with DC FEC of various DC FEC current densities are examined. Finally torque performances are analyzed at various armature and FEC current densities for both designs. As a result, the outer-rotor HEFSM has higher flux linkage of PM with DC FEC and higher average torque of approximately 10% when compared with inner-rotor HEFSM.

  13. Intelligent design of nano-scale molecular imaging agents.

    PubMed

    Kim, Sung Bae; Hattori, Mitsuru; Ozawa, Takeaki

    2012-12-12

    Visual representation and quantification of biological processes at the cellular and subcellular levels within living subjects are gaining great interest in life science to address frontier issues in pathology and physiology. As intact living subjects do not emit any optical signature, visual representation usually exploits nano-scale imaging agents as the source of image contrast. Many imaging agents have been developed for this purpose, some of which exert nonspecific, passive, and physical interaction with a target. Current research interest in molecular imaging has mainly shifted to fabrication of smartly integrated, specific, and versatile agents that emit fluorescence or luminescence as an optical readout. These agents include luminescent quantum dots (QDs), biofunctional antibodies, and multifunctional nanoparticles. Furthermore, genetically encoded nano-imaging agents embedding fluorescent proteins or luciferases are now gaining popularity. These agents are generated by integrative design of the components, such as luciferase, flexible linker, and receptor to exert a specific on-off switching in the complex context of living subjects. In the present review, we provide an overview of the basic concepts, smart design, and practical contribution of recent nano-scale imaging agents, especially with respect to genetically encoded imaging agents.

  14. Intelligent Design of Nano-Scale Molecular Imaging Agents

    PubMed Central

    Kim, Sung Bae; Hattori, Mitsuru; Ozawa, Takeaki

    2012-01-01

    Visual representation and quantification of biological processes at the cellular and subcellular levels within living subjects are gaining great interest in life science to address frontier issues in pathology and physiology. As intact living subjects do not emit any optical signature, visual representation usually exploits nano-scale imaging agents as the source of image contrast. Many imaging agents have been developed for this purpose, some of which exert nonspecific, passive, and physical interaction with a target. Current research interest in molecular imaging has mainly shifted to fabrication of smartly integrated, specific, and versatile agents that emit fluorescence or luminescence as an optical readout. These agents include luminescent quantum dots (QDs), biofunctional antibodies, and multifunctional nanoparticles. Furthermore, genetically encoded nano-imaging agents embedding fluorescent proteins or luciferases are now gaining popularity. These agents are generated by integrative design of the components, such as luciferase, flexible linker, and receptor to exert a specific on–off switching in the complex context of living subjects. In the present review, we provide an overview of the basic concepts, smart design, and practical contribution of recent nano-scale imaging agents, especially with respect to genetically encoded imaging agents. PMID:23235326

  15. SVE design: Mass transfer limitation due to molecular diffusion

    SciTech Connect

    Yang, Y.J.; Gates, T.M.; Edwards, S.

    1999-09-01

    Vaporization and soil adsorption are the two mass transfer mechanisms that control contaminant recovery rates for soil vapor extraction (SVE) systems. At most soil remediation sites, contaminants are distributed among three phases, namely, soil particles, pore water, and soil vapor. Contaminant mass transfer from adsorption sites into a convective vapor stream involves desorption, diffusion through pore water, and vaporization into soil vapor. An SVE design model is proposed to describe this three-phase mass transfer process and assist the design and evaluation of SVE systems. The model contains analytical solutions developed to estimate contaminant concentrations in the vapor phase and predict contaminant removal rates. Monitoring data from two full-scale SVE systems were used for model development and calibration. The results suggest that contaminant diffusion through the pore water is the rate-limiting step and leads to remediation inefficiency of an SVE system. Mass Transfer retardation from molecular diffusion in water is likely the major contributing component to the venting efficiency coefficient of Staudinger et al.

  16. Molecular modeling in the design of peptidomimetics and peptide surrogates.

    PubMed

    Perez, Juan J; Corcho, Francesc; Llorens, Oriol

    2002-12-01

    The most important natural sources of new leads are plant extracts, bacterial broths, animal venoms and peptides isolated from living organisms. However, only the three first have been used extensively in the development of new therapeutic agents. This is probably due to the low pharmacological profile exhibited by peptides, that requires a lengthy transformation to make them suitable as new leads. In contrast, bioactive compounds isolated from the other sources are regularly closer to be used as lead compounds. Nevertheless, the sources for compounds of this category are nowadays scarce. In contrast, there are new bioactive peptides discovered quite often and reported as ligands for different receptors. Under these circumstances peptides appear as an attractive source of prospective new leads. In order to reduce the time involved in the design of a potential lead from a peptide, molecular modeling tools have been developed in the last few years. The purpose of the present work is to review the different techniques available and to report various successful examples of design of new peptidomimetics published in the literature.

  17. Design of ferroelectric organic molecular crystals with ultrahigh polarization.

    PubMed

    Chen, Shuang; Zeng, Xiao Cheng

    2014-04-30

    Inspired by recent successful synthesis of room-temperature ferroelectric supramolecular charge-transfer complexes, i.e., tetrathiafulvalene (TTF)- and pyromellitic diimide (PMDI)-based crystals (Tayi et al. Nature 2012, 488, 485-489), three new ferroelectric two-component organic molecular crystals are designed based on the TTF and PMDI motifs and an extensive polymorph search. To achieve energetically favorable packing structures for the crystals, a newly developed computational approach that combines polymorph predictor with density functional theory (DFT) geometry optimization is employed. Tens of thousands of packing structures for the TTF- and PMDI-based crystals are first generated based on the limited number of asymmetric units in a unit cell as well as limited common symmetry groups for organocarbon crystals. Subsequent filtering of these packing structures by comparing with the reference structures yields dozens of promising crystal structures. Further DFT optimizations allow us to identify several highly stable packing structures that possess the space group of P2₁ as well as high to ultrahigh spontaneous polarizations (23-127 μC/cm(2)) along the crystallographic b axis. These values are either comparable to or much higher than the computed value (25 μC/cm(2)) or measured value (55 μC/cm(2)) for the state-of-the-art organic supramolecular systems. The high polarization arises from the ionic displacement. We further construct surface models to derive the electric-field-switched low-symmetry structures of new TTF- and PMDI-based crystals. By comparing the high-symmetry and low-symmetry crystal structures, we find that the ferroelectric polarization of the crystals is very sensitive to atomic positions, and a small molecular displacement may result in relatively high polarizations along the a and c axes, polarity reversal, and/or electronic contribution to polarization. If these newly designed TTF- and PMDI-based crystals with high polarizations are

  18. Multiscale modeling for materials design: Molecular square catalysts

    NASA Astrophysics Data System (ADS)

    Majumder, Debarshi

    In a wide variety of materials, including a number of heterogeneous catalysts, the properties manifested at the process scale are a consequence of phenomena that occur at different time and length scales. Recent experimental developments allow materials to be designed precisely at the nanometer scale. However, the optimum design of such materials requires capabilities to predict the properties at the process scale based on the phenomena occurring at the relevant scales. The thesis research reported here addresses this need to develop multiscale modeling strategies for the design of new materials. As a model system, a new system of materials called molecular squares was studied in this research. Both serial and parallel multiscale strategies and their components were developed as parts of this work. As a serial component, a parameter estimation tool was developed that uses a hierarchical protocol and consists of two different search elements: a global search method implemented using a genetic algorithm that is capable of exploring large parametric space, and a local search method using gradient search techniques that accurately finds the optimum in a localized space. As an essential component of parallel multiscale modeling, different standard as well as specialized computational fluid dynamics (CFD) techniques were explored and developed in order to identify a technique that is best suited to solve a membrane reactor model employing layered films of molecular squares as the heterogeneous catalyst. The coupled set of non-linear partial differential equations (PDEs) representing the continuum model was solved numerically using three different classes of methods: a split-step method using finite difference (FD); domain decomposition in two different forms, one involving three overlapping subdomains and the other involving a gap-tooth scheme; and the multiple-timestep method that was developed in this research. The parallel multiscale approach coupled continuum

  19. Design of optimal collimation for dedicated molecular breast imaging systems

    SciTech Connect

    Weinmann, Amanda L.; Hruska, Carrie B.; O'Connor, Michael K.

    2009-03-15

    Molecular breast imaging (MBI) is a functional imaging technique that uses specialized small field-of-view gamma cameras to detect the preferential uptake of a radiotracer in breast lesions. MBI has potential to be a useful adjunct method to screening mammography for the detection of occult breast cancer. However, a current limitation of MBI is the high radiation dose (a factor of 7-10 times that of screening mammography) associated with current technology. The purpose of this study was to optimize the gamma camera collimation with the aim of improving sensitivity while retaining adequate resolution for the detection of sub-10-mm lesions. Square-hole collimators with holes matched to the pixilated cadmium zinc telluride detector elements of the MBI system were designed. Data from MBI patient studies and parameters of existing dual-head MBI systems were used to guide the range of desired collimator resolutions, source-to-collimator distances, pixel sizes, and collimator materials that were examined. General equations describing collimator performance for a conventional gamma camera were used in the design process along with several important adjustments to account for the specialized imaging geometry of the MBI system. Both theoretical calculations and a Monte Carlo model were used to measure the geometric efficiency (or sensitivity) and resolution of each designed collimator. Results showed that through optimal collimation, collimator sensitivity could be improved by factors of 1.5-3.2, while maintaining a collimator resolution of either {<=}5 or {<=}7.5 mm at a distance of 3 cm from the collimator face. These gains in collimator sensitivity permit an inversely proportional drop in the required dose to perform MBI.

  20. Structural design of an in-line bolted joint for the space shuttle solid rocket motor case segments

    NASA Technical Reports Server (NTRS)

    Dorsey, John T.; Stein, Peter A.; Bush, Harold G.

    1987-01-01

    Results of a structural design study of an in-line bolted joint concept which can be used to assemble Space Shuttle Solid Rocket Motor (SRM) case segments are presented. Numerous parametric studies are performed to characterize the in-line bolted joint behavior as major design variables are altered, with the primary objective always being to keep the inside of the joint (where the O-rings are located) closed during the SRM firing. The resulting design has 180 1-inch studs, an eccentricity of -0.5 inch, a flange thickness of 3/4 inch, a bearing plate thickness of 1/4 inch, and the studs are subjected to a preload which is 70% of ultimate. The mass penalty per case segment joint for the in-line design is 346 lbm more than the weight penalty for the proposed capture tang fix.

  1. Introduction to ultrasonic motors

    SciTech Connect

    Sashida, Toshiiku; Kenjo, Takashi.

    1993-01-01

    The ultrasonic motor, invented in 1980, utilizes the piezoelectric effect in the ultrasonic frequency range to provide the motive force. (In conventional electric motors the motive force is electromagnetic.) The result is a motor with unusually good low-speed high-torque and power-to-weight characteristics. It has already found applications in camera autofocus mechanisms, medical equipment subject to high magnetic fields, and motorized car accessories. Its applications will increase as designers become more familiar with its unique characteristics. This book is the result of a collaboration between the inventor and an expert in conventional electric motors: the result is an introduction to the general theory presented in a way that links it to conventional motor theory. It will be invaluable both to motor designers and to those who design with and use electric motors as an introduction to this important new invention.

  2. fMRI as a molecular imaging procedure for the functional reorganization of motor systems in chronic stroke.

    PubMed

    Lazaridou, Asimina; Astrakas, Loukas; Mintzopoulos, Dionyssios; Khanchiceh, Azadeh; Singhal, Aneesh; Moskowitz, Michael; Rosen, Bruce; Tzika, Aria

    2013-09-01

    Previous brain imaging studies suggest that stroke alters functional connectivity in motor execution networks. Moreover, current understanding of brain plasticity has led to new approaches in stroke rehabilitation. Recent studies showed a significant role of effective coupling of neuronal activity in the SMA (supplementary motor area) and M1 (primary motor cortex) network for motor outcome in patients after stroke. After a subcortical stroke, functional magnetic resonance imaging (fMRI) during movement reveals cortical reorganization that is associated with the recovery of function. The aim of the present study was to explore connectivity alterations within the motor-related areas combining motor fMRI with a novel MR-compatible hand-induced robotic device (MR_CHIROD) training. Patients completed training at home and underwent serial MR evaluation at baseline and after 8 weeks of training. Training at home consisted of squeezing a gel exercise ball with the paretic hand at ~75% of maximum strength for 1 h/day, 3 days/week. The fMRI analysis revealed alterations in M1, SMA, PMC (premotor cortex) and Cer (cerebellum) in both stroke patients and healthy controls after the training. Findings of the present study suggest that enhancement of SMA activity could benefit M1 dysfunction in stroke survivors. These results also indicate that connectivity alterations between motor areas might assist the counterbalance of a functionally abnormal M1 in chronic stroke survivors and possibly other patients with motor dysfunction.

  3. Exploring the Molecular Design of Protein Interaction Sites with Molecular Dynamics Simulations and Free Energy Calculations†

    PubMed Central

    Liang, Shide; Li, Liwei; Hsu, Wei-Lun; Pilcher, Meaghan N.; Uversky, Vladimir; Zhou, Yaoqi; Dunker, A. Keith; Meroueh, Samy O.

    2009-01-01

    The significant work that has been invested toward understanding protein–protein interaction has not translated into significant advances in structure-based predictions. In particular redesigning protein surfaces to bind to unrelated receptors remains a challenge, partly due to receptor flexibility, which is often neglected in these efforts. In this work, we computationally graft the binding epitope of various small proteins obtained from the RCSB database to bind to barnase, lysozyme, and trypsin using a previously derived and validated algorithm. In an effort to probe the protein complexes in a realistic environment, all native and designer complexes were subjected to a total of nearly 400 ns of explicit-solvent molecular dynamics (MD) simulation. The MD data led to an unexpected observation: some of the designer complexes were highly unstable and decomposed during the trajectories. In contrast, the native and a number of designer complexes remained consistently stable. The unstable conformers provided us with a unique opportunity to define the structural and energetic factors that lead to unproductive protein–protein complexes. To that end we used free energy calculations following the MM-PBSA approach to determine the role of nonpolar effects, electrostatics and entropy in binding. Remarkably, we found that a majority of unstable complexes exhibited more favorable electrostatics than native or stable designer complexes, suggesting that favorable electrostatic interactions are not prerequisite for complex formation between proteins. However, nonpolar effects remained consistently more favorable in native and stable designer complexes reinforcing the importance of hydrophobic effects in protein–protein binding. While entropy systematically opposed binding in all cases, there was no observed trend in the entropy difference between native and designer complexes. A series of alanine scanning mutations of hot-spot residues at the interface of native and

  4. Design and development of split-parallel through-the road retrofit hybrid electric vehicle with in-wheel motors

    NASA Astrophysics Data System (ADS)

    Zulkifli, S. A.; Syaifuddin Mohd, M.; Maharun, M.; Bakar, N. S. A.; Idris, S.; Samsudin, S. H.; Firmansyah; Adz, J. J.; Misbahulmunir, M.; Abidin, E. Z. Z.; Syafiq Mohd, M.; Saad, N.; Aziz, A. R. A.

    2015-12-01

    One configuration of the hybrid electric vehicle (HEV) is the split-axle parallel hybrid, in which an internal combustion engine (ICE) and an electric motor provide propulsion power to different axles. A particular sub-type of the split-parallel hybrid does not have the electric motor installed on board the vehicle; instead, two electric motors are placed in the hubs of the non-driven wheels, called ‘hub motor’ or ‘in-wheel motor’ (IWM). Since propulsion power from the ICE and IWM is coupled through the vehicle itself, its wheels and the road on which it moves, this particular configuration is termed ‘through-the-road’ (TTR) hybrid. TTR configuration enables existing ICE-powered vehicles to be retrofitted into an HEV with minimal physical modification. This work describes design of a retrofit- conversion TTR-IWM hybrid vehicle - its sub-systems and development work. Operating modes and power flow of the TTR hybrid, its torque coupling and resultant traction profiles are initially discussed.

  5. Design of an axial flux PM motor using magnetic and thermal equivalent network

    NASA Astrophysics Data System (ADS)

    Mignot, Romain-Bernard; Glises, Raynal; Espanet, Christophe; Saint Ellier, Emeline; Dubas, Frédéric; Chamagne, Didier

    2013-09-01

    This paper deals with the development of a new generation of electric motors (7.5-15 kW) for automotive powertrains. The target is a full electric direct drive vehicle, for the particular application to heavy quadricycles. An original axial flux PM structure is proposed due to the simplicity of its manufacturing. However it leads to a 3D structure, difficult to study. The paper deals with analytical models that can be used to achieve the analysis and the sizing of the motor. The electromagnetic behavior is modeled using a simple magnetic equivalent network and the thermal behavior is analyzed with a thermal network. Finally, the analytical results are compared to those experimentally obtained and it proves the interest of the proposed structure: the construction is simple and the performances are satisfying.

  6. Application of Two-Phase CFD to the Design and Analysis of a Subscale Motor Experiment to Evaluate Propellant Slag Production

    NASA Technical Reports Server (NTRS)

    Whitesides, R. Harold; Dill, Richard A.

    1996-01-01

    The redesigned solid rocket motor (RSRM) Pressure Perturbation Investigation Team concluded that the cause of recent pressure spikes during both static and flight motor burns was the expulsion of molten aluminum oxide slag from a pool which collects in the aft end of the motor around the submerged nozzle nose during the last half of motor operation. It is suspected that some motors produce more slag than others due to differences in aluminum oxide agglomerate particle sizes which may relate to subtle differences in propellant ingredient characteristics such as particle size distribution, contaminants, or processing variations. In order to determine the effect of suspect propellant ingredient characteristics on the propensity for slag production in a real motor environment, a subscale motor experiment was designed. An existing 5 inch ballistic test motor was selected as the basic test vehicle due to low cost and quick turn around times. The standard converging/diverging nozzle was replaced with a submerged nozzle nose design to provide a positive trap for the slag which would increase both the quantity and repeatability of measured slag weights. Computational fluid dynamics (CFD) was used to assess a variety of submerged nose configurations to identify the design which possessed the best capability to reliably collect slag. CFD also was used to assure that the final selected nozzle design would result in flow field characteristics such as dividing streamline location, nose attach point, and separated flow structure which would have similtude with the RSRM submerged nozzle nose flow field. It also was decided to spin the 5 inch motor about its longitudinal axis to further enhance slag collection quantities. Again, CFD was used to select an appropriate spin rate along with other considerations, including the avoidance of burn rate enhancement from radial acceleration effects.

  7. Strategy for Molecular Design of Photochromic Diarylethenes Having Thermal Functionality.

    PubMed

    Kitagawa, Daichi; Kobatake, Seiya

    2016-08-01

    Thermal reactivities of photochromic diarylethene closed-ring isomers can be controlled by the introduction of substituents at the reactive positions. Diarylethenes having bulky alkyl groups undergo thermal cycloreversion reactions. When bulky alkoxy groups are introduced, the diarylethenes have both thermal cycloreversion reactivities and low photocycloreversion quantum yields. Such photochromic compounds can be applied to thermally reusable photoresponsive-image recordings. The thermal cycloreversion reactivity of the closed-ring isomers can be evaluated using specific steric substituent constants and be correlated with the parameters. By introduction of trimethylsilyl or methoxymethyl groups at the reactive positions, the diarylethene closed-ring isomers undergo thermal irreversible reactions to produce by-products at high temperatures. These diarylethenes may be useful for secret-image recordings. Furthermore, thiophene-S,S-dioxidized diarylethenes having secondary alkyl groups at the reactive positions undergo thermal by-product formation reactions, in addition to the photostability of the colored closed-ring isomers. Such materials may be used for light-starting thermosensors. The thermal by-product formation reactivity can be evaluated by the specific substituent constants and theoretical calculations of quantum chemistry. These results supply the strategy for the molecular design of the photochromic diarylethenes having thermal functionality.

  8. Strategy for Molecular Design of Photochromic Diarylethenes Having Thermal Functionality.

    PubMed

    Kitagawa, Daichi; Kobatake, Seiya

    2016-08-01

    Thermal reactivities of photochromic diarylethene closed-ring isomers can be controlled by the introduction of substituents at the reactive positions. Diarylethenes having bulky alkyl groups undergo thermal cycloreversion reactions. When bulky alkoxy groups are introduced, the diarylethenes have both thermal cycloreversion reactivities and low photocycloreversion quantum yields. Such photochromic compounds can be applied to thermally reusable photoresponsive-image recordings. The thermal cycloreversion reactivity of the closed-ring isomers can be evaluated using specific steric substituent constants and be correlated with the parameters. By introduction of trimethylsilyl or methoxymethyl groups at the reactive positions, the diarylethene closed-ring isomers undergo thermal irreversible reactions to produce by-products at high temperatures. These diarylethenes may be useful for secret-image recordings. Furthermore, thiophene-S,S-dioxidized diarylethenes having secondary alkyl groups at the reactive positions undergo thermal by-product formation reactions, in addition to the photostability of the colored closed-ring isomers. Such materials may be used for light-starting thermosensors. The thermal by-product formation reactivity can be evaluated by the specific substituent constants and theoretical calculations of quantum chemistry. These results supply the strategy for the molecular design of the photochromic diarylethenes having thermal functionality. PMID:27321920

  9. Directed flux motor

    NASA Technical Reports Server (NTRS)

    Wilson, Andrew (Inventor); Punnoose, Andrew (Inventor); Strausser, Katherine (Inventor); Parikh, Neil (Inventor)

    2011-01-01

    A directed flux motor described utilizes the directed magnetic flux of at least one magnet through ferrous material to drive different planetary gear sets to achieve capabilities in six actuated shafts that are grouped three to a side of the motor. The flux motor also utilizes an interwoven magnet configuration which reduces the overall size of the motor. The motor allows for simple changes to modify the torque to speed ratio of the gearing contained within the motor as well as simple configurations for any number of output shafts up to six. The changes allow for improved manufacturability and reliability within the design.

  10. Optimal Design of Rotary-Type Voice Coil Motor Using Multisegmented Magnet Array for Small Form Factor Optical Disk Drive

    NASA Astrophysics Data System (ADS)

    Jeong, Jaehwa; Gweon, Dae-Gab

    2007-05-01

    For a small form factor optical disk drive (SFFODD), a high-performance actuator satisfying the requirements for small size, high speed, and low-power consumption simultaneously is required. In this paper, we propose a rotary-type voice coil motor (VCM) using a multisegmented magnet array (MSMA) for the SFFODD. The VCM is designed to move the entire system including miniaturized optical components, which are necessary in reading and writing data. To increase the actuating force of the VCM, the MSMA, a novel magnetic circuit, is adopted because it can provide a higher flux density than a conventional magnet array in the rotary-type VCM. To obtain the best performance from the VCM in the limit of actuator size, design optimization is performed. The manufactured actuator with optimally designed parameters is described and the potential performance of track seeking is evaluated and presented.

  11. Design of an advanced non linear controller for induction motors and experimental validation on an industrial benchmark

    NASA Astrophysics Data System (ADS)

    Lubineau, D.; Dion, J. M.; Dugard, L.; Roye, D.

    2000-02-01

    This paper mainly deals with the design of an advanced control law for induction motors and its real-time implementation on an experimental test benchmark. First, relationship between the classical field oriented control (FOC) and non linear linearizing control laws is studied. It is shown that both control laws are similar. Classical non linear linearizing control improves the performances but not in a spectacular way when the observer and the controller are designed independently. A new non linear observer based control law is designed, which is shown to be globally stable and is implemented on an experimental test-bench. The control algorithm is studied and applied in many configurations (various set-points, flux and speed profiles and torque disturbances) and is shown to be very efficient.

  12. Design and evaluation of a crystalline hybrid of molecular conductors and molecular rotors.

    PubMed

    Lemouchi, Cyprien; Mézière, Cécile; Zorina, Leokadiya; Simonov, Sergey; Rodríguez-Fortea, Antonio; Canadell, Enric; Wzietek, Pawel; Auban-Senzier, Pascale; Pasquier, Claude; Giamarchi, Thierry; Garcia-Garibay, Miguel A; Batail, Patrick

    2012-05-01

    Combining recent concepts from the fields of molecular conductivity and molecular machinery we set out to design a crystalline molecular conductor that also possesses a molecular rotor. We report on the structures, electronic and physical properties, and dynamics of two solids with a common 1,4-bis(carboxyethynyl)bicyclo[2.2.2]octane (BABCO) functional rotor. One, [nBu(4)N(+)](2)[BABCO][BABCO(-)](2), is a colorless insulator where the dicarboxylic acid cocrystallizes with two of its monoanionic conjugated bases. The other is self-assembled by electrocrystallization in the form of black, shiny needles, with highly conducting molecular slabs of (EDT-TTF-CONH(2))(2)(+) (EDT-TTF = ethylenedithiotetrathiafulvalene) and anionic [BABCO(-)] rotors. Using variable-temperature (5-300 K) proton spin-lattice relaxation, (1)H T(1)(-1), we were able to assign two types of Brownian rotators in [nBu(4)N(+)](2)[BABCO][BABCO(-)](2). We showed that neutral BABCO groups have a rotational frequency of 120 GHz at 300 K with a rotational barrier of 2.03 kcal mol(-1). Rotors on the BABCO(-) sites experience stochastic 32 GHz jumps at the same temperature over a rotational barrier of 2.72 kcal mol(-1). In contrast, the BABCO(-) rotors within the highly conducting crystals of (EDT-TTF-CONH(2))(2)(+)[BABCO(-)] are essentially "braked" at room temperature. Notably, these crystals possess a conductivity of 5 S cm(-1) at 1 bar, which increases rapidly with pressure up to 50 S cm(-1) at 11.5 kbar. Two regimes with different activation energies E(a) for the resistivity (180 K above 50 and 400 K below) are observed at ambient pressure; a metallic state is stabilized at ca. 8 kbar, and an insulating ground state remains below 50 K at all pressures. We discuss two likely channels by which the motion of the rotors might become slowed down in the highly conducting solid. One is defined as a low-velocity viscous regime inherent to a noncovalent, physical coupling induced by the cooperativity between

  13. Design and evaluation of a crystalline hybrid of molecular conductors and molecular rotors.

    PubMed

    Lemouchi, Cyprien; Mézière, Cécile; Zorina, Leokadiya; Simonov, Sergey; Rodríguez-Fortea, Antonio; Canadell, Enric; Wzietek, Pawel; Auban-Senzier, Pascale; Pasquier, Claude; Giamarchi, Thierry; Garcia-Garibay, Miguel A; Batail, Patrick

    2012-05-01

    Combining recent concepts from the fields of molecular conductivity and molecular machinery we set out to design a crystalline molecular conductor that also possesses a molecular rotor. We report on the structures, electronic and physical properties, and dynamics of two solids with a common 1,4-bis(carboxyethynyl)bicyclo[2.2.2]octane (BABCO) functional rotor. One, [nBu(4)N(+)](2)[BABCO][BABCO(-)](2), is a colorless insulator where the dicarboxylic acid cocrystallizes with two of its monoanionic conjugated bases. The other is self-assembled by electrocrystallization in the form of black, shiny needles, with highly conducting molecular slabs of (EDT-TTF-CONH(2))(2)(+) (EDT-TTF = ethylenedithiotetrathiafulvalene) and anionic [BABCO(-)] rotors. Using variable-temperature (5-300 K) proton spin-lattice relaxation, (1)H T(1)(-1), we were able to assign two types of Brownian rotators in [nBu(4)N(+)](2)[BABCO][BABCO(-)](2). We showed that neutral BABCO groups have a rotational frequency of 120 GHz at 300 K with a rotational barrier of 2.03 kcal mol(-1). Rotors on the BABCO(-) sites experience stochastic 32 GHz jumps at the same temperature over a rotational barrier of 2.72 kcal mol(-1). In contrast, the BABCO(-) rotors within the highly conducting crystals of (EDT-TTF-CONH(2))(2)(+)[BABCO(-)] are essentially "braked" at room temperature. Notably, these crystals possess a conductivity of 5 S cm(-1) at 1 bar, which increases rapidly with pressure up to 50 S cm(-1) at 11.5 kbar. Two regimes with different activation energies E(a) for the resistivity (180 K above 50 and 400 K below) are observed at ambient pressure; a metallic state is stabilized at ca. 8 kbar, and an insulating ground state remains below 50 K at all pressures. We discuss two likely channels by which the motion of the rotors might become slowed down in the highly conducting solid. One is defined as a low-velocity viscous regime inherent to a noncovalent, physical coupling induced by the cooperativity between

  14. Smart motor technology

    NASA Technical Reports Server (NTRS)

    Packard, D.; Schmitt, D.

    1984-01-01

    Current spacecraft design relies upon microprocessor control; however, motors usually require extensive additional electronic circuitry to interface with these microprocessor controls. An improved control technique that allows a smart brushless motor to connect directly to a microprocessor control system is described. An actuator with smart motors receives a spacecraft command directly and responds in a closed loop control mode. In fact, two or more smart motors can be controlled for synchronous operation.

  15. "Fan-Tip-Drive" High-Power-Density, Permanent Magnet Electric Motor and Test Rig Designed for a Nonpolluting Aircraft Propulsion Program

    NASA Technical Reports Server (NTRS)

    Brown, Gerald V.; Kascak, Albert F.

    2004-01-01

    A scaled blade-tip-drive test rig was designed at the NASA Glenn Research Center. The rig is a scaled version of a direct-current brushless motor that would be located in the shroud of a thrust fan. This geometry is very attractive since the allowable speed of the armature is approximately the speed of the blade tips (Mach 1 or 1100 ft/s). The magnetic pressure generated in the motor acts over a large area and, thus, produces a large force or torque. This large force multiplied by the large velocity results in a high-power-density motor.

  16. A Novel Data System for Verification of Internal Parameters of Motor Design

    NASA Technical Reports Server (NTRS)

    Smith, Doug; Saint Jean, Paul; Everton, Randy; Uresk, Bonnie

    2003-01-01

    Three major obstacles have limited the amount of information that can be obtained from inside an operating solid rocket motor. The first is a safety issue due to the presence of live propellant interacting with classical, electrical instrumentation. The second is a pressure vessel feed through risk arising from bringing a large number of wires through the rocket motor wall safely. The third is an attachment/protection issue associated with connecting gages to live propellant. Thiokol has developed a highly miniaturized, networked, electrically isolated data system that has safely delivered information from classical, electrical instrumentation (even on the burning propellant surface) to the outside world. This system requires only four wires to deliver 80 channels of data at 2300 samples/second/channel. The feed through leak path risk is massively reduced from the current situation where each gage requires at least three pressure vessel wire penetrations. The external electrical isolation of the system is better than that of the propellant itself. This paper describes the new system.

  17. The Effect of Rapid Liquid-Phase Reactions on Injector Design and Combustion in Rocket Motors

    NASA Technical Reports Server (NTRS)

    Elverum, Gerard W., Jr.; Staudhammer, Peter

    1959-01-01

    Data are presented indicating the rates and magnitudes of energy released by the liquid-phase reactions of various propellant combinations. The data show that this energy release can contribute significantly to the rate of vaporization of the incoming propellants and thus aid the combustion process. Nevertheless, very low performances were obtained in rocket motors with conventional impinging-jet injectors when highly reactive systems such as N104-N2H4, were employed. A possible explanation for this low performance is that the initial reactions of such systems are so rapid that liquid-phase mixing is inhibited. Evidence for such an effect is presented in a series of color photographs of open flames using various injector elements. Based on these studies, some requirements are suggested for injector elements using highly reactive propellants. Experimental results are presented of motor tests using injector elements in which some of these requirements are met through the use of a set of concentric tubes. These tests, carried out at thrust levels of 40 to 800 lb per element, demonstrated combustion efficiencies of up to 98% based on equilibrium characteristic velocity values. Results are also presented for tests made with impinging-jet and splash-plate injectors for comparison.

  18. Pigment granule translocation in red ovarian chromatophores from the palaemonid shrimp Macrobrachium olfersi (Weigmann, 1836): functional roles for the cytoskeleton and its molecular motors.

    PubMed

    Milograna, Sarah Ribeiro; Ribeiro, Márcia Regina; Baqui, Munira Muhammad Abdel; McNamara, John Campbell

    2014-12-01

    The binding of red pigment concentrating hormone (RPCH) to membrane receptors in crustacean chromatophores triggers Ca²⁺/cGMP signaling cascades that activate cytoskeletal motors, driving pigment granule translocation. We investigate the distributions of microfilaments and microtubules and their associated molecular motors, myosin and dynein, by confocal and transmission electron microscopy, evaluating a functional role for the cytoskeleton in pigment translocation using inhibitors of polymer turnover and motor activity in vitro. Microtubules occupy the chromatophore cell extensions whether the pigment granules are aggregated or dispersed. The inhibition of microtubule turnover by taxol induces pigment aggregation and inhibits re-dispersion. Phalloidin-FITC actin labeling, together with tannic acid fixation and ultrastructural analysis, reveals that microfilaments form networks associated with the pigment granules. Actin polymerization induced by jasplaquinolide strongly inhibits RPCH-induced aggregation, causes spontaneous pigment dispersion, and inhibits pigment re-dispersion. Inhibition of actin polymerization by latrunculin-A completely impedes pigment aggregation and re-dispersion. Confocal immunocytochemistry shows that non-muscle myosin II (NMMII) co-localizes mainly with pigment granules while blebbistatin inhibition of NMMII strongly reduces the RPCH response, also inducing spontaneous pigment dispersion. Myosin II and dynein also co-localize with the pigment granules. Inhibition of dynein ATPase by erythro-9-(2-hydroxy-3-nonyl) adenine induces aggregation, inhibits RPCH-triggered aggregation, and inhibits re-dispersion. Granule aggregation and dispersion depend mainly on microfilament integrity although microtubules may be involved. Both cytoskeletal polymers are functional only when subunit turnover is active. Myosin and dynein may be the molecular motors that drive pigment aggregation. These mechanisms of granule translocation in crustacean

  19. Design and testing of a coaxial linear magnetic spring with integral linear motor. [for spacecraft energy storage

    NASA Technical Reports Server (NTRS)

    Patt, P. J.

    1985-01-01

    The design of a coaxial linear magnetic spring which incorporates a linear motor to control axial motion and overcome system damping is presented, and the results of static and dynamic tests are reported. The system has nominal stiffness 25,000 N/m and is designed to oscillate a 900-g component over a 4.6-mm stroke in a Stirling-cycle cryogenic refrigerator being developed for long-service (5-10-yr) space applications (Stolfi et al., 1983). Mosaics of 10 radially magnetized high-coercivity SmCO5 segments enclosed in Ti cans are employed, and the device is found to have quality factor 70-100, corresponding to energy-storage efficiency 91-94 percent. Drawings, diagrams, and graphs are provided.

  20. A simple and efficient alternative to implementing systematic random sampling in stereological designs without a motorized microscope stage.

    PubMed

    Melvin, Neal R; Poda, Daniel; Sutherland, Robert J

    2007-10-01

    When properly applied, stereology is a very robust and efficient method to quantify a variety of parameters from biological material. A common sampling strategy in stereology is systematic random sampling, which involves choosing a random sampling [corrected] start point outside the structure of interest, and sampling relevant objects at [corrected] sites that are placed at pre-determined, equidistant intervals. This has proven to be a very efficient sampling strategy, and is used widely in stereological designs. At the microscopic level, this is most often achieved through the use of a motorized stage that facilitates the systematic random stepping across the structure of interest. Here, we report a simple, precise and cost-effective software-based alternative to accomplishing systematic random sampling under the microscope. We believe that this approach will facilitate the use of stereological designs that employ systematic random sampling in laboratories that lack the resources to acquire costly, fully automated systems.

  1. Piezoceramic Ultrasonic Motor Technology

    SciTech Connect

    Burden, J.S.

    1999-02-24

    The objective of this project was to team Aerotech and AlliedSignal FM and T (AS) to develop a cost-efficient process for small-batch, high performance PZT motor production. Aerotech would acquire the basic process expertise in motor fabrication, assembly, and testing from AS. Together, Aerotech and AS were to identify appropriate process improvements, focusing on raw material quality, manufacturing processes, and durability assessment. Aerotech would then design and build a motor in consultation with AS. Aerotech engineering observed motor manufacturing in the AS piezo lab and worked side by side with AS personnel to build and test a prototype motor to facilitate learning the technology. Using information from AS and hands-on experience with the AS motor drive system enabled Aerotech to design and build its own laboratory drive system to operate motors. The team compiled information to establish a potential piezo motor users' list, and an intellectual property search was conducted to understand current patent and IP (intellectual property) status of motor design. Work was initiated to identify and develop an American source for piezo motor elements; however, due to manpower restraints created by the resignation of the AS Ph.D. ceramist responsible for these tasks, the project schedule slipped. The project was subsequently terminated before significant activities were accomplished. AS did, however, provide Aerotech with contacts in Japanese industry that are willing and capable of supplying them with special design motor elements.

  2. Molecular-level Design of Heterogeneous Chiral Catalysts

    SciTech Connect

    Gellman, Andrew John; Sholl, David S.; Tysoe, Wilfred T.; Zaera, Francisco

    2013-04-28

    Understanding and controlling selectivity is one of the key challenges in heterogeneous catalysis. Among problems in catalytic selectivity enantioselectivity is perhaps the most the most challenging. The primary goal of the project on “Molecular-level Design of Heterogeneous Chiral Catalysts” is to understand the origins of enantioselectivity on chiral heterogeneous surfaces and catalysts. The efforts of the project team include preparation of chiral surfaces, characterization of chiral surfaces, experimental detection of enantioselectivity on such surfaces and computational modeling of the interactions of chiral probe molecules with chiral surfaces. Over the course of the project period the team of PI’s has made some of the most detailed and insightful studies of enantioselective chemistry on chiral surfaces. This includes the measurement of fundamental interactions and reaction mechanisms of chiral molecules on chiral surfaces and leads all the way to rationale design and synthesis of chiral surfaces and materials for enantioselective surface chemistry. The PI’s have designed and prepared new materials for enantioselective adsorption and catalysis. Naturally Chiral Surfaces • Completion of a systematic study of the enantiospecific desorption kinetics of R-3-methylcyclohexanone (R-3-MCHO) on 9 achiral and 7 enantiomeric pairs of chiral Cu surfaces with orientations that span the stereographic triangle. • Discovery of super-enantioselective tartaric acid (TA) and aspartic acid (Asp) decomposition as a result of a surface explosion mechanism on Cu(643)R&S. Systematic study of super-enantiospecific TA and Asp decomposition on five enantiomeric pairs of chiral Cu surfaces. • Initial observation of the enantiospecific desorption of R- and S-propylene oxide (PO) from Cu(100) imprinted with {3,1,17} facets by L-lysine adsorption. Templated Chiral Surfaces • Initial observation of the enantiospecific desorption of R- and S-PO from Pt(111) and Pd(111

  3. Elements in nucleotide sensing and hydrolysis of the AAA+ disaggregation machine ClpB: a structure-based mechanistic dissection of a molecular motor

    SciTech Connect

    Zeymer, Cathleen Barends, Thomas R. M.; Werbeck, Nicolas D.; Schlichting, Ilme; Reinstein, Jochen

    2014-02-01

    High-resolution crystal structures together with mutational analysis and transient kinetics experiments were utilized to understand nucleotide sensing and the regulation of the ATPase cycle in an AAA+ molecular motor. ATPases of the AAA+ superfamily are large oligomeric molecular machines that remodel their substrates by converting the energy from ATP hydrolysis into mechanical force. This study focuses on the molecular chaperone ClpB, the bacterial homologue of Hsp104, which reactivates aggregated proteins under cellular stress conditions. Based on high-resolution crystal structures in different nucleotide states, mutational analysis and nucleotide-binding kinetics experiments, the ATPase cycle of the C-terminal nucleotide-binding domain (NBD2), one of the motor subunits of this AAA+ disaggregation machine, is dissected mechanistically. The results provide insights into nucleotide sensing, explaining how the conserved sensor 2 motif contributes to the discrimination between ADP and ATP binding. Furthermore, the role of a conserved active-site arginine (Arg621), which controls binding of the essential Mg{sup 2+} ion, is described. Finally, a hypothesis is presented as to how the ATPase activity is regulated by a conformational switch that involves the essential Walker A lysine. In the proposed model, an unusual side-chain conformation of this highly conserved residue stabilizes a catalytically inactive state, thereby avoiding unnecessary ATP hydrolysis.

  4. The Design of Molecular Hosts, Guests, and Their Complexes.

    ERIC Educational Resources Information Center

    Cram, Donald J.

    1988-01-01

    Describes the origins, definitions, tools, and principles of host-guest chemistry. Gives examples of chiral recognition in complexation, of partial transacylase mimics, of caviplexes, and of a synthetic molecular cell. (Author/RT)

  5. Development of “L-Shaped” Rotary Voice Coil Motor Actuator for Ultra Slim Optical Disk Drive Using Integrated Design Method based on Coupled-Field Analysis

    NASA Astrophysics Data System (ADS)

    Lee, Dong-Ju; Woo, Jung-Hyun; Kim, Sa-Ung; Oh, Je-Seung; Yoo, Jeong-Hoon; Park, No-Cheol; Park, Young-Pil; Shimano, Takeshi; Nakamura, Shigeo

    2007-06-01

    In this paper, we propose an “L-shaped” rotary voice coil motor (VCM) actuator for an ultra slim optical disk drive (ODD) with a CF II card size using the integrated design method that integrates coupled-field analysis and design methods.

  6. Molecular-beam gas-sampling system

    NASA Technical Reports Server (NTRS)

    Young, W. S.; Knuth, E. L.

    1972-01-01

    A molecular beam mass spectrometer system for rocket motor combustion chamber sampling is described. The history of the sampling system is reviewed. The problems associated with rocket motor combustion chamber sampling are reported. Several design equations are presented. The results of the experiments include the effects of cooling water flow rates, the optimum separation gap between the end plate and sampling nozzle, and preliminary data on compositions in a rocket motor combustion chamber.

  7. Molecular-Level Design of Heterogeneous Chiral Catalysis

    SciTech Connect

    Francisco Zaera

    2012-03-21

    The following is a proposal to continue our multi-institutional research on heterogeneous chiral catalysis. Our team combines the use of surface-sensitive analytical techniques for the characterization of model systems with quantum and statistical mechanical calculations to interpret experimental data and guide the design of future research. Our investigation focuses on the interrelation among the three main mechanisms by which enantioselectivity can be bestowed to heterogeneous catalysts, namely: (1) by templating chirality via the adsorption of chiral supramolecular assemblies, (2) by using chiral modifiers capable of forming chiral complexes with the reactant and force enantioselective surface reactions, and (3) by forming naturally chiral surfaces using imprinting chiral agents. Individually, the members of our team are leaders in these various aspects of chiral catalysis, but the present program provides the vehicle to generate and exploit the synergies necessary to address the problem in a comprehensive manner. Our initial work has advanced the methodology needed for these studies, including an enantioselective titration procedure to identify surface chiral sites, infrared spectroscopy in situ at the interface between gases or liquids and solids to mimic realistic catalytic conditions, and DFT and Monte Carlo algorithms to simulate and understand chirality on surfaces. The next step, to be funded by the monies requested in this proposal, is to apply those methods to specific problems in chiral catalysis, including the identification of the requirements for the formation of supramolecular surface structures with enantioselective behavior, the search for better molecules to probe the chiral nature of the modified surfaces, the exploration of the transition from supramolecular to one-to-one chiral modification, the correlation of the adsorption characteristics of one-to-one chiral modifiers with their physical properties, in particular with their configuration

  8. Designing a nine cysteine-less DNA packaging motor from bacteriophage T4 reveals new insights into ATPase structure and function

    PubMed Central

    Kondabagil, Kiran; Dai, Li; Vafabakhsh, Reza; Ha, Taekjip; Draper, Bonnie; Rao, Venigalla B.

    2015-01-01

    The packaging motor of bacteriophage T4 translocates DNA into the capsid at a rate of up to 2000 bp/s. Such a high rate would require coordination of motor movements at millisecond timescale. Designing a cysteine-less gp17 is essential to generate fluorescently labeled motors and measure distance changes between motor domains by FRET analyses. Here, by using sequence alignments, structural modeling, combinatorial mutagenesis, and recombinational rescue, we replaced all nine cysteines of gp17 and introduced single cysteines at defined positions. These mutant motors retained in vitro DNA packaging activity. Single mutant motors translocated DNA molecules in real time as imaged by total internal reflection fluorescence microscopy. We discovered, unexpectedly, that a hydrophobic or nonpolar amino acid next to Walker B motif is essential for motor function, probably for efficient generation of OH− nucleophile. The ATPase Walker B motif, thus, may be redefined as “β-strand (4–6 hydrophobic-rich amino acids)–DE-hydrophobic/nonpolar amino acid”. PMID:25443668

  9. A Reconsideration of the Link between the Energetics of Water and of ATP Hydrolysis Energy in the Power Strokes of Molecular Motors in Protein Structures

    PubMed Central

    Widdas, Wilfred F.

    2008-01-01

    Mechanical energy from oxygen metabolism by mammalian tissues has been studied since 1837. The production of heat by mechanical work was studied by Fick in about 1860. Prior to Fick’s work, energetics were revised by Joule’s experiments which founded the First Law of Thermodynamics. Fenn in 1923/24 found that frog muscle contractions generated extra heat proportional to the amount of work done in shortening the muscle. This was fully consistent with the Joule, Helmholtz concept used for the First Law of Thermodynamics. The link between the energetics of water and ATP hydrolysis in molecular motors is recommended for reconsideration. PMID:19325829

  10. Applications of molecular modeling to the design and characterization of materials

    SciTech Connect

    Carlson, G.A.; Faulon, J.L.; Pohl, P.I.; Shelnutt, J.A.

    1994-06-01

    A variety of new molecular modeling tools are now available for studying molecular structures and molecular interactions, for building molecular structures from simple components using analytical data, and for studying the relationship of molecular structure to the energy of bonding and non-bonding interactions. These are proving quite valuable in characterizing molecular structures and intermolecular interactions and in designing new molecules. This paper describes the application of molecular modeling techniques to a variety of materials problems, including the probable modecular structures of coals, lignins, and hybrid inorganic-organic-organic systems (silsesquioxanes), the intercalation of small gas molecules in fullerene crystals, the diffusion of gas molecules through membranes, and the design, structure and function of biomimetic and nanocluster catalysts.

  11. Optimized efficiency and figure of merit for a tight-coupling molecular motor: their bounds and phase diagrams

    NASA Astrophysics Data System (ADS)

    Bekele, Mulugeta; Nuru, Tadle

    2014-03-01

    We consider a model translational motor that consumes one fuel molecule against a given amount of load at the same physiological temperature. Taking the chemical step to be tightlly coupled to the mechanical step, we derive thermodynamic quantities such as input and output power as well as power efficiency. Using optimization criteria of energy utilization, we determine the motor's optimized efficiency as well as its figure of merit. Bounds and phase daigrams of these quantities are studied. International Science Program, Uppsala University, Uppsala, Sweden.

  12. Synthetic Motors and Nanomachines.

    NASA Astrophysics Data System (ADS)

    Flood, Amar

    2006-03-01

    A bistable and palindromically-constituted [3]rotaxane incorporating two mechanically-mobile rings interlocked around a linear dumbbell component, has been designed to operate like the sarcomeres of skeletal muscle. Contraction and extension occurs when the inter-ring distance of the two rings switch, ideally, between 4.2 and 1.4 nm upon redox stimulation either chemically or electrochemically in the solution phase. When the mobile rings of these artificial molecular muscles are bound onto the tops of gold-coated, micron-scale cantilever beams, their controllable nanometer motions have a chance to be amplified along the long axis of each cantilever. It turns out that ˜6 billion of the self-assembled [3]rotaxanes can bend the cantilevers in a bistable manner concomitant with the cycled addition of redox agents. The extent of bending is commensurate with 10's of pN of force per [3]rotaxane. Recent studies on a set of ``single-shot'' control [2]rotaxanes have provided additional evidence for the origins of the force generation as it arises from a molecule-based electrostatic repulsion energy of about 10 kcal/mol at 300 K. These findings will be presented in terms of the underlying thermodynamics and kinetics that have been utilized extensively to direct the design and synthesis of artificial molecular machines and which may also serve as a guide for the rational design of unidirectional molecular motors.

  13. Design of Linear DC Motor Two-degree-of-freedom Positioning System using Model Reference type Sliding Mode Controller

    NASA Astrophysics Data System (ADS)

    Urushihara, Shiro; Kamano, Takuya; Yura, Satoshi; Yasuno, Takashi; Suzuki, Takayuki

    One of fundamental problems in the factory automation is how to obtain linear motion. Linear motors produce directly the linear motion force without a motion-transform mechanism. Linear d.c. motors (LDMs) have excellent performance and controllability. However, the dynamics of small-sized LDMs is adversely affected by the dead-band due to the friction between brushes and commutators. In this paper, it is described that the design of the two-degree-of-freedom positioning system with a LDM using model reference type sliding mode controller (SMC). The proposed positioning system consists of a fixed gain feedforward controller and a SMC used as a feedback controller. The objective of the SMC is to repress the influence of nonlinear characteristics (the dead-band and parameter variations etc.). The tracking performance can be improved as the fixed gain feedforward controller makes a dynamic inverse system in the feedforward path. The effectiveness of the proposed system for improvement of the tracking performance is demonstrated by experimental results.

  14. Molecular design of electron transport with orbital rule: toward conductance-decay free molecular junctions.

    PubMed

    Tada, Tomofumi; Yoshizawa, Kazunari

    2015-12-28

    In this study, we report our viewpoint of single molecular conductance in terms of frontier orbitals. The orbital rule derived from orbital phase and amplitude is a powerful guideline for the qualitative understanding of molecular conductance in both theoretical and experimental studies. The essence of the orbital rule is the phase-related quantum interference, and on the basis of this rule a constructive or destructive pathway for electron transport is easily predicted. We have worked on the construction of the orbital rule for more than ten years and recently found from its application that π-stacked molecular junctions fabricated experimentally are in line with the concept for conductance-decay free junctions. We explain the orbital rule using benzene molecular junctions with the para-, meta- and ortho-connections and discuss linear π-conjugated chains and π-stacked molecular junctions with respect to their small decay factors in this manuscript.

  15. Functional interactions of VirB11 traffic ATPases with VirB4 and VirD4 molecular motors in type IV secretion systems.

    PubMed

    Ripoll-Rozada, Jorge; Zunzunegui, Sandra; de la Cruz, Fernando; Arechaga, Ignacio; Cabezón, Elena

    2013-09-01

    Pilus biogenesis and substrate transport by type IV secretion systems require energy, which is provided by three molecular motors localized at the base of the secretion channel. One of these motors, VirB11, belongs to the superfamily of traffic ATPases, which includes members of the type II secretion system and the type IV pilus and archaeal flagellar assembly apparatus. Here, we report the functional interactions between TrwD, the VirB11 homolog of the conjugative plasmid R388, and TrwK and TrwB, the motors involved in pilus biogenesis and DNA transport, respectively. Although these interactions remained standing upon replacement of the traffic ATPase by a homolog from a phylogenetically related conjugative system, namely, TraG of plasmid pKM101, this homolog could not replace the TrwD function for DNA transfer. This result suggests that VirB11 works as a switch between pilus biogenesis and DNA transport and reinforces a mechanistic model in which VirB11 proteins act as traffic ATPases by regulating both events in type IV secretion systems.

  16. Design study and performance analysis of 12S-14P field excitation flux switching motor for hybrid electric vehicle

    NASA Astrophysics Data System (ADS)

    Husin, Zhafir Aizat; Sulaiman, Erwan; Khan, Faisal; Mazlan, Mohamed Mubin Aizat; Othman, Syed Muhammad Naufal Syed

    2015-05-01

    This paper presents a new structure of 12slot-14pole field excitation flux switching motor (FEFSM) as an alternative candidate of non-Permanent Magnet (PM) machine for HEV drives. Design study, performance analysis and optimization of field excitation flux switching machine with non-rare-earth magnet for hybrid electric vehicle drive applications is done. The stator of projected machine consists of iron core made of electromagnetic steels, armature coils and field excitation coils as the only field mmf source. The rotor is consisted of only stack of iron and hence, it is reliable and appropriate for high speed operation. The design target is a machine with the maximum torque, power and power density, more than 210Nm, 123kW and 3.5kW/kg, respectively, which competes with interior permanent magnet synchronous machine used in existing hybrid electric vehicle. Some design feasibility studies on FEFSM based on 2D-FEA and deterministic optimization method will be applied to design the proposed machine.

  17. Design and testing of digitally manufactured paraffin Acrylonitrile-butadiene-styrene hybrid rocket motors

    NASA Astrophysics Data System (ADS)

    McCulley, Jonathan M.

    This research investigates the application of additive manufacturing techniques for fabricating hybrid rocket fuel grains composed of porous Acrylonitrile-butadiene-styrene impregnated with paraffin wax. The digitally manufactured ABS substrate provides mechanical support for the paraffin fuel material and serves as an additional fuel component. The embedded paraffin provides an enhanced fuel regression rate while having no detrimental effect on the thermodynamic burn properties of the fuel grain. Multiple fuel grains with various ABS-to-Paraffin mass ratios were fabricated and burned with nitrous oxide. Analytical predictions for end-to-end motor performance and fuel regression are compared against static test results. Baseline fuel grain regression calculations use an enthalpy balance energy analysis with the material and thermodynamic properties based on the mean paraffin/ABS mass fractions within the fuel grain. In support of these analytical comparisons, a novel method for propagating the fuel port burn surface was developed. In this modeling approach the fuel cross section grid is modeled as an image with white pixels representing the fuel and black pixels representing empty or burned grid cells.

  18. Different pathways of molecular pathophysiology underlie cognitive and motor tauopathy phenotypes in transgenic models for Alzheimer's disease and frontotemporal lobar degeneration.

    PubMed

    Melis, V; Zabke, C; Stamer, K; Magbagbeolu, M; Schwab, K; Marschall, P; Veh, R W; Bachmann, S; Deiana, S; Moreau, P-H; Davidson, K; Harrington, K A; Rickard, J E; Horsley, D; Garman, R; Mazurkiewicz, M; Niewiadomska, G; Wischik, C M; Harrington, C R; Riedel, G; Theuring, F

    2015-06-01

    A poorly understood feature of the tauopathies is their very different clinical presentations. The frontotemporal lobar degeneration (FTLD) spectrum is dominated by motor and emotional/psychiatric abnormalities, whereas cognitive and memory deficits are prominent in the early stages of Alzheimer's disease (AD). We report two novel mouse models overexpressing different human tau protein constructs. One is a full-length tau carrying a double mutation [P301S/G335D; line 66 (L66)] and the second is a truncated 3-repeat tau fragment which constitutes the bulk of the PHF core in AD corresponding to residues 296-390 fused with a signal sequence targeting it to the endoplasmic reticulum membrane (line 1; L1). L66 has abundant tau pathology widely distributed throughout the brain, with particularly high counts of affected neurons in hippocampus and entorhinal cortex. The pathology is neuroanatomically static and declines with age. Behaviourally, the model is devoid of a higher cognitive phenotype but presents with sensorimotor impairments and motor learning phenotypes. L1 displays a much weaker histopathological phenotype, but shows evidence of neuroanatomical spread and amplification with age that resembles the Braak staging of AD. Behaviourally, the model has minimal motor deficits but shows severe cognitive impairments affecting particularly the rodent equivalent of episodic memory which progresses with advancing age. In both models, tau aggregation can be dissociated from abnormal phosphorylation. The two models make possible the demonstration of two distinct but nevertheless convergent pathways of tau molecular pathogenesis. L1 appears to be useful for modelling the cognitive impairment of AD, whereas L66 appears to be more useful for modelling the motor features of the FTLD spectrum. Differences in clinical presentation of AD-like and FTLD syndromes are therefore likely to be inherent to the respective underlying tauopathy, and are not dependent on presence or absence

  19. A novel Morse code-inspired method for multiclass motor imagery brain-computer interface (BCI) design.

    PubMed

    Jiang, Jun; Zhou, Zongtan; Yin, Erwei; Yu, Yang; Liu, Yadong; Hu, Dewen

    2015-11-01

    Motor imagery (MI)-based brain-computer interfaces (BCIs) allow disabled individuals to control external devices voluntarily, helping us to restore lost motor functions. However, the number of control commands available in MI-based BCIs remains limited, limiting the usability of BCI systems in control applications involving multiple degrees of freedom (DOF), such as control of a robot arm. To address this problem, we developed a novel Morse code-inspired method for MI-based BCI design to increase the number of output commands. Using this method, brain activities are modulated by sequences of MI (sMI) tasks, which are constructed by alternately imagining movements of the left or right hand or no motion. The codes of the sMI task was detected from EEG signals and mapped to special commands. According to permutation theory, an sMI task with N-length allows 2 × (2(N)-1) possible commands with the left and right MI tasks under self-paced conditions. To verify its feasibility, the new method was used to construct a six-class BCI system to control the arm of a humanoid robot. Four subjects participated in our experiment and the averaged accuracy of the six-class sMI tasks was 89.4%. The Cohen's kappa coefficient and the throughput of our BCI paradigm are 0.88 ± 0.060 and 23.5bits per minute (bpm), respectively. Furthermore, all of the subjects could operate an actual three-joint robot arm to grasp an object in around 49.1s using our approach. These promising results suggest that the Morse code-inspired method could be used in the design of BCIs for multi-DOF control.

  20. Space Launch System Base Heating Test: Sub-Scale Rocket Engine/Motor Design, Development and Performance Analysis

    NASA Technical Reports Server (NTRS)

    Mehta, Manish; Seaford, Mark; Kovarik, Brian; Dufrene, Aaron; Solly, Nathan; Kirchner, Robert; Engel, Carl D.

    2014-01-01

    The Space Launch System (SLS) base heating test is broken down into two test programs: (1) Pathfinder and (2) Main Test. The Pathfinder Test Program focuses on the design, development, hot-fire test and performance analyses of the 2% sub-scale SLS core-stage and booster element propulsion systems. The core-stage propulsion system is composed of four gaseous oxygen/hydrogen RS-25D model engines and the booster element is composed of two aluminum-based model solid rocket motors (SRMs). The first section of the paper discusses the motivation and test facility specifications for the test program. The second section briefly investigates the internal flow path of the design. The third section briefly shows the performance of the model RS-25D engines and SRMs for the conducted short duration hot-fire tests. Good agreement is observed based on design prediction analysis and test data. This program is a challenging research and development effort that has not been attempted in 40+ years for a NASA vehicle.

  1. Recent advances in the molecular design of synthetic vaccines

    NASA Astrophysics Data System (ADS)

    Jones, Lyn H.

    2015-12-01

    Vaccines have typically been prepared using whole organisms. These are normally either attenuated bacteria or viruses that are live but have been altered to reduce their virulence, or pathogens that have been inactivated and effectively killed through exposure to heat or formaldehyde. However, using whole organisms to elicit an immune response introduces the potential for infections arising from a reversion to a virulent form in live pathogens, unproductive reactions to vaccine components or batch-to-batch variability. Synthetic vaccines, in which a molecular antigen is conjugated to a carrier protein, offer the opportunity to circumvent these problems. This Perspective will highlight the progress that has been achieved in developing synthetic vaccines using a variety of molecular antigens. In particular, the different approaches used to develop conjugate vaccines using peptide/proteins, carbohydrates and other small molecule haptens as antigens are compared.

  2. Recent advances in the molecular design of synthetic vaccines.

    PubMed

    Jones, Lyn H

    2015-12-01

    Vaccines have typically been prepared using whole organisms. These are normally either attenuated bacteria or viruses that are live but have been altered to reduce their virulence, or pathogens that have been inactivated and effectively killed through exposure to heat or formaldehyde. However, using whole organisms to elicit an immune response introduces the potential for infections arising from a reversion to a virulent form in live pathogens, unproductive reactions to vaccine components or batch-to-batch variability. Synthetic vaccines, in which a molecular antigen is conjugated to a carrier protein, offer the opportunity to circumvent these problems. This Perspective will highlight the progress that has been achieved in developing synthetic vaccines using a variety of molecular antigens. In particular, the different approaches used to develop conjugate vaccines using peptide/proteins, carbohydrates and other small molecule haptens as antigens are compared.

  3. A Real-World Perspective on Molecular Design.

    PubMed

    Kuhn, Bernd; Guba, Wolfgang; Hert, Jérôme; Banner, David; Bissantz, Caterina; Ceccarelli, Simona; Haap, Wolfgang; Körner, Matthias; Kuglstatter, Andreas; Lerner, Christian; Mattei, Patrizio; Neidhart, Werner; Pinard, Emmanuel; Rudolph, Markus G; Schulz-Gasch, Tanja; Woltering, Thomas; Stahl, Martin

    2016-05-12

    We present a series of small molecule drug discovery case studies where computational methods were prospectively employed to impact Roche research projects, with the aim of highlighting those methods that provide real added value. Our brief accounts encompass a broad range of methods and techniques applied to a variety of enzymes and receptors. Most of these are based on judicious application of knowledge about molecular conformations and interactions: filling of lipophilic pockets to gain affinity or selectivity, addition of polar substituents, scaffold hopping, transfer of SAR, conformation analysis, and molecular overlays. A case study of sequence-driven focused screening is presented to illustrate how appropriate preprocessing of information enables effective exploitation of prior knowledge. We conclude that qualitative statements enabling chemists to focus on promising regions of chemical space are often more impactful than quantitative prediction. PMID:26878596

  4. Rational Design of Molecular Ferroelectric Materials and Nanostructures

    SciTech Connect

    Ducharme, Stephen

    2012-09-25

    The purpose of this project was to gain insight into the properties of molecular ferroelectrics through the detailed study of oligomer analogs of polyvinylidene fluoride (PVDF). By focusing on interactions at both the molecular level and the nanoscale level, we expect to gain improved understanding about the fundamental mechanism of ferroelectricity and its key properties. The research consisted of three complementary components: 1) Rational synthesis of VDF oligomers by Prof. Takacs' group; 2) Detailed structural and electrical studies of thin by Prof. Ducharme's Group; and 3) First-principles computational studies by DOE Lab Partner Dr. Serge Nakhman-son at Argonne National Laboratory. The main results of the work was a detailed understanding of the relationships between the molecular interactions and macroscopic phenomenology of fer-roelectricity VDF oligomers. This is valuable information supporting the development of im-proved electromechanical materials for, e.g., sonar, ultrasonic imaging, artificial muscles, and compliant actuators. Other potential applications include nonvolatile ferroelectric memories, heat-sensing imaging arrays, photovoltaic devices, and functional biomimetic materials. The pro-ject contributed to the training and professional development of undergraduate students and graduate students, post-doctoral assistants, and a high-school teacher. Project personnel took part in several outreach and education activities each year.

  5. Safety Design Strategy for the Advanced Test Reactor Primary Coolant Pump and Motor Replacement Project

    SciTech Connect

    Noel Duckwitz

    2011-06-01

    In accordance with the requirements of U.S. Department of Energy (DOE) Order 413.3B, “Program and Project Management for the Acquisition of Capital Assets,” safety must be integrated into the design process for new or major modifications to DOE Hazard Category 1, 2, and 3 nuclear facilities. The intended purpose of this requirement involves the handling of hazardous materials, both radiological and chemical, in a way that provides adequate protection to the public, workers, and the environment. Requirements provided in DOE Order 413.3B and DOE Order 420.1B, “Facility Safety,” and the expectations of DOE-STD-1189-2008, “Integration of Safety into the Design Process,” provide for identification of hazards early in the project and use of an integrated team approach to design safety into the facility. This safety design strategy provides the basic safety-in-design principles and concepts that will be used for the Advanced Test Reactor Reliability Sustainment Project. While this project does not introduce new hazards to the ATR, it has the potential for significant impacts to safety-related systems, structures, and components that are credited in the ATR safety basis and are being replaced. Thus the project has been determined to meet the definition of a major modification and is being managed accordingly.

  6. Design, synthesis, and biological evaluation of potent discodermolide fluorescent and photoaffinity molecular probes.

    PubMed

    Smith, Amos B; Rucker, Paul V; Brouard, Ignacio; Freeze, B Scott; Xia, Shujun; Horwitz, Susan Band

    2005-11-10

    [structure: see text] The design, synthesis, and biological evaluation of a series of (+)-discodermolide molecular probes possessing photoaffinity and fluorescent appendages has been achieved. Stereoselective olefin cross-metathesis comprised a key tactic for construction of two of the molecular probes. Three photoaffinity probes were radiolabeled with tritium.

  7. Design of an ultimate quencher free molecular beacon containing pyrrolocytidine-guanine base pair.

    PubMed

    Saito, Yoshio; Shinohara, Yuta; Bag, Subhendu Sekhar; Takeuchi, Yoshiki; Matsumoto, Katsuhiko; Saito, Isao

    2008-01-01

    A novel quencher free molecular beacon was designed in which fluorophore-labelled pyrrolocytidine was placed away from the stem terminal. This new type of MB was used for the detection of a target DNA with an excellent efficiency.

  8. Highway Aesthetics: The Design of Motor Vehicles. Teaching Art with Art.

    ERIC Educational Resources Information Center

    Hubbard, Guy

    1999-01-01

    Addresses the design of highway vehicles as one means for students to learn about forms of three-dimensional art. Focuses on the Corvette, mass-produced cars like the Chrysler Concorde, the modern semi-trailer, and an antique 1931 Dusenberg Model J Murphy Aluminum Top Coupe. (CMK)

  9. A Method for Extracting Sensory Motor Skills and Designing a Training System

    ERIC Educational Resources Information Center

    Doyo, Daisuke; Ohara, Atushi; Shida, Keisuke; Matsumoto, Toshiyuki; Otomo, Kazuo

    2009-01-01

    Two years ago, the rapid retirement of the "baby boomer artisans" in vast numbers threatened to erode the competitiveness of Japanese manufacturers (i.e., the 2007 problem). This study proposes a practical process for extracting skills and designing a training system, to accelerate the learning of skills in production fields by younger…

  10. Technical report analysis and design: Study of solid rocket motors for a space shuttle booster, volume 2, book 1, supplement 1

    NASA Technical Reports Server (NTRS)

    1972-01-01

    An analysis and design effort was conducted as part of the study of solid rocket motor for a space shuttle booster. The 156-inch-diameter, parallel burn solid rocket motor was selected as its baseline because it is transportable and is the most cost-effective, reliable system that has been developed and demonstrated. The basic approach was to concentrate on the selected baseline design, and to draw from the baseline sufficient data to describe the alternate approaches also studied. The following conclusions were reached with respect to technical feasibility of the use of solid rocket booster motors for the space shuttle vehicle: (1) The 156-inch, parallel-burn baseline SRM design meets NASA's study requirements while incorporating conservative safety factors. (2) The solid rocket motor booster represents a cost-effective approach. (3) Baseline costs are conservative and are based on a demonstrated design. (4) Recovery and reuse are feasible and offer substantial cost savings. (5) Abort can be accomplished successfully. (6) Ecological effects are acceptable.

  11. Design, fabrication and testing of laterally driven electrostatic motors employing walking motion and mechanical leverage

    NASA Astrophysics Data System (ADS)

    Tas, N. R.; Sonnenberg, T.; Molenaar, R.; Elwenspoek, M.

    2003-01-01

    Laterally driven linear electrostatic micromotors have been fabricated by standard surface micromachining. We attempt to employ mechanical leverage with the aim to increase the force from the order of 1 μN up to the order of 0.1 mN, in combination with walking motion to increase the stroke to virtually unlimited. Three designs have been made and tested. We conclude that mechanical levers with proper stiffness characteristics to be driven by electrostatic actuators are feasible. Friction as a function of the applied electrostatic clamp force has been measured, showing that there is a significant adhesion in the clamps. Walking motion has been successfully generated in one of the designs, generating a stroke of 15 μm and a force of 3 μN. Improvement of the clamping is needed to benefit from the implemented levers to increase the generated force.

  12. Review of architecture and interior designs in Italian kindergartens and their relationship with motor development.

    PubMed

    Scoditti, Silvia; Clavica, Fulgenzio; Caroli, Margherita

    2011-10-01

    The construction of a school is the first pedagogical act. Its form, the relationship with nature, light, materials and colours provides important educational inputs for children. Different social, philosophical, pedagogical and architectural theories on the spaces built for and around the child have led to the construction of different kindergartens based on fantasy, over-design, sobriety, philosophical theories, and so on. Kindergartens with a surplus of architecture and furniture may reduce the child's imagination, because they are perceived as a too elaborate toy that gets boring. Furniture should provide children with metamorphic forms which adapt to their needs and preferences. The planning and design of buildings and spaces dedicated to children should consider the child at the center of the space built. The aim that architects should have in planning a kindergarten is the well being of the child, because his/her childhood will be the basis of the maturity as adult of tomorrow. PMID:21923290

  13. Review of architecture and interior designs in Italian kindergartens and their relationship with motor development.

    PubMed

    Scoditti, Silvia; Clavica, Fulgenzio; Caroli, Margherita

    2011-10-01

    The construction of a school is the first pedagogical act. Its form, the relationship with nature, light, materials and colours provides important educational inputs for children. Different social, philosophical, pedagogical and architectural theories on the spaces built for and around the child have led to the construction of different kindergartens based on fantasy, over-design, sobriety, philosophical theories, and so on. Kindergartens with a surplus of architecture and furniture may reduce the child's imagination, because they are perceived as a too elaborate toy that gets boring. Furniture should provide children with metamorphic forms which adapt to their needs and preferences. The planning and design of buildings and spaces dedicated to children should consider the child at the center of the space built. The aim that architects should have in planning a kindergarten is the well being of the child, because his/her childhood will be the basis of the maturity as adult of tomorrow.

  14. Design and evaluation of a quasi-passive knee exoskeleton for investigation of motor adaptation in lower extremity joints.

    PubMed

    Shamaei, Kamran; Cenciarini, Massimo; Adams, Albert A; Gregorczyk, Karen N; Schiffman, Jeffrey M; Dollar, Aaron M

    2014-06-01

    In this study, we describe the mechanical design and control scheme of a quasi-passive knee exoskeleton intended to investigate the biomechanical behavior of the knee joint during interaction with externally applied impedances. As the human knee behaves much like a linear spring during the stance phase of normal walking gait, the exoskeleton implements a spring across the knee in the weight acceptance (WA) phase of the gait while allowing free motion throughout the rest of the gait cycle, accomplished via an electromechanical clutch. The stiffness of the device is able to be varied by swapping springs, and the timing of engagement/disengagement changed to accommodate different loading profiles. After describing the design and control, we validate the mechanical performance and reliability of the exoskeleton through cyclic testing on a mechanical knee simulator. We then describe a preliminary experiment on three healthy adults to evaluate the functionality of the device on both left and right legs. The kinetic and kinematic analyses of these subjects show that the exoskeleton assistance can partially/fully replace the function of the knee joint and obtain nearly invariant moment and angle profiles for the hip and ankle joints, and the overall knee joint and exoskeleton complex under the applied moments of the exoskeleton versus the control condition, implying that the subjects undergo a considerable amount of motor adaptation in their lower extremities to the exoskeletal impedances, and encouraging more in-depth future experiments with the device.

  15. Thin-disk piezoceramic ultrasonic motor. Part I: design and performance evaluation.

    PubMed

    Wen, Fuh Liang; Yen, Chi Yung; Ouyang, Minsun

    2003-08-01

    The purpose of this study is to gain the knowledge and experience in the design of thin-disk piezoceramic-driving ultrasonic actuator dedicated. In this paper, the design and construction of an innovative ultrasonic actuator is developed as a stator, which is a composite structure consisting of piezoceramic (PZT) membrane bonded on a metal sheet. Such a concentric PZT structure possesses the electrical and mechanical coupling characteristics in flexural wave. The driving ability of the actuator comes from the mechanical vibration of extension and shrinkage of a metal sheet due to the converse piezoelectric effect, corresponding to the frequency of a single-phase AC power. By applying the constraints on the specific geometry positions on the metal sheet, the various behaviors of flexural waves have been at the different directions. The rotor is impelled by the actuator with rotational speeds of 600 rpm in maximum using a friction-contact mechanism. Very high actuating and braking abilities are obtained. This simple and inexpensive structure of actuator demonstrates that the mechanical design of actuator and rotor could be done separately and flexibly according to the requirements for various applications. And, its running accuracy and positioning precision are described in Part II.A closed loop servo positioning control i.e. sliding mode control (SMC) is used to compensate automatically for nonlinearly mechanical behaviors such as dry friction, ultrasonic vibrating, slip-stick phenomena. Additionally, SMC scheme has been successfully applied to position tracking to prove the excellent robust performance in noise rejection.

  16. Optimal control strategy design based on dynamic programming for a dual-motor coupling-propulsion system.

    PubMed

    Zhang, Shuo; Zhang, Chengning; Han, Guangwei; Wang, Qinghui

    2014-01-01

    A dual-motor coupling-propulsion electric bus (DMCPEB) is modeled, and its optimal control strategy is studied in this paper. The necessary dynamic features of energy loss for subsystems is modeled. Dynamic programming (DP) technique is applied to find the optimal control strategy including upshift threshold, downshift threshold, and power split ratio between the main motor and auxiliary motor. Improved control rules are extracted from the DP-based control solution, forming near-optimal control strategies. Simulation results demonstrate that a significant improvement in reducing energy loss due to the dual-motor coupling-propulsion system (DMCPS) running is realized without increasing the frequency of the mode switch.

  17. Current and emerging opportunities for molecular simulations in structure-based drug design

    PubMed Central

    Michel, Julien

    2014-01-01

    An overview of the current capabilities and limitations of molecular simulation of biomolecular complexes in the context of computer-aided drug design is provided. Steady improvements in computer hardware coupled with more refined representations of energetics are leading to a new appreciation of the driving forces of molecular recognition. Molecular simulations are poised to more frequently guide the interpretation of biophysical measurements of biomolecular complexes. Ligand design strategies emerge from detailed analyses of computed structural ensembles. The feasibility of routine applications to ligand optimization problems hinges upon successful extensive large scale validation studies and the development of protocols to intelligently automate computations. PMID:24469595

  18. Molecular Design for Tuning Work Functions of Transparent Conducting Electrodes.

    PubMed

    Koldemir, Unsal; Braid, Jennifer L; Morgenstern, Amanda; Eberhart, Mark; Collins, Reuben T; Olson, Dana C; Sellinger, Alan

    2015-06-18

    In this Perspective, we provide a brief background on the use of aromatic phosphonic acid modifiers for tuning work functions of transparent conducting oxides, for example, zinc oxide (ZnO) and indium tin oxide (ITO). We then introduce our preliminary results in this area using conjugated phosphonic acid molecules, having a substantially larger range of dipole moments than their unconjugated analogues, leading to the tuning of ZnO and ITO electrodes over a 2 eV range as derived from Kelvin probe measurements. We have found that these work function changes are directly correlated to the magnitude and the direction of the computationally derived molecular dipole of the conjugated phosphonic acids, leading to the predictive power of computation to drive the synthesis of new and improved phosphonic acid ligands. PMID:26266603

  19. Molecular Designs for Enhancement of Polarity in Ferroelectric Soft Materials

    NASA Astrophysics Data System (ADS)

    Ohtani, Ryo; Nakaya, Manabu; Ohmagari, Hitomi; Nakamura, Masaaki; Ohta, Kazuchika; Lindoy, Leonard F.; Hayami, Shinya

    2015-11-01

    The racemic oxovanadium(IV) salmmen complexes, [VO((rac)-(4-X-salmmen))] (X = C12C10C5 (1), C16 (2), and C18 (3); salmmen = N,N‧-monomethylenebis-salicylideneimine) with “banana shaped” molecular structures were synthesized, and their ferroelectric properties were investigated. These complexes exhibit well-defined hysteresis loops in their viscous phases, moreover, 1 also displays liquid crystal behaviour. We observed a synergetic effect influenced by three structural aspects; the methyl substituents on the ethylene backbone, the banana shaped structure and the square pyramidal metal cores all play an important role in generating the observed ferroelectricity, pointing the way to a useful strategy for the creation of advanced ferroelectric soft materials.

  20. Molecular Designs for Enhancement of Polarity in Ferroelectric Soft Materials

    PubMed Central

    Ohtani, Ryo; Nakaya, Manabu; Ohmagari, Hitomi; Nakamura, Masaaki; Ohta, Kazuchika; Lindoy, Leonard F.; Hayami, Shinya

    2015-01-01

    The racemic oxovanadium(IV) salmmen complexes, [VO((rac)-(4-X-salmmen))] (X = C12C10C5 (1), C16 (2), and C18 (3); salmmen = N,N′-monomethylenebis-salicylideneimine) with “banana shaped” molecular structures were synthesized, and their ferroelectric properties were investigated. These complexes exhibit well-defined hysteresis loops in their viscous phases, moreover, 1 also displays liquid crystal behaviour. We observed a synergetic effect influenced by three structural aspects; the methyl substituents on the ethylene backbone, the banana shaped structure and the square pyramidal metal cores all play an important role in generating the observed ferroelectricity, pointing the way to a useful strategy for the creation of advanced ferroelectric soft materials. PMID:26568045

  1. Recent trends in molecular beacon design and applications.

    PubMed

    Huang, Kewei; Martí, Angel A

    2012-04-01

    A molecular beacon (MB) is a hairpin-structured oligonucleotide probe containing a photoluminescent species (PLS) and a quencher at different ends of the strand. In a recognition and detection process, the hybridization of MBs with target DNA sequences restores the strong photoluminescence, which is quenched before hybridization. Making better MBs involves reducing the background photoluminescence and increasing the brightness of the PLS, which therefore involves the development of new PLS and quenchers, as well as innovative PLS-quencher systems. Heavy-metal complexes, nanocrystals, pyrene compounds, and other materials with excellent photophysical properties have been applied as PLS of MBs. Nanoparticles, nanowires, graphene, metal films, and many other media have also been introduced to quench photoluminescence. On the basis of their high specificity, selectivity, and sensitivity, MBs are developed as a general platform for sensing, producing, and carrying molecules other than oligonucleotides.

  2. The role of molecular motors in the mechanics of active gels and the effects of inertia, hydrodynamic interaction and compressibility in passive microrheology

    NASA Astrophysics Data System (ADS)

    Uribe, Andres Cordoba

    The mechanical properties of soft biological materials are essential to their physiological function and cannot easily be duplicated by synthetic materials. The study of the mechanical properties of biological materials has lead to the development of new rheological characterization techniques. In the technique called passive microbead rheology, the positional autocorrelation function of a micron-sized bead embedded in a viscoelastic fluid is used to infer the dynamic modulus of the fluid. Single particle microrheology is limited to fluids were the microstructure is much smaller than the size of the probe bead. To overcome this limitation in two-bead microrheology the cross-correlated thermal motion of pairs of tracer particles is used to determine the dynamic modulus. Here we present a time-domain data analysis methodology and generalized Brownian dynamics simulations to examine the effects of inertia, hydrodynamic interaction, compressibility and non-conservative forces in passive microrheology. A type of biological material that has proven specially challenging to characterize are active gels. They are formed by semiflexible polymer filaments driven by motor proteins that convert chemical energy from the hydrolysis of adenosine triphosphate (ATP) to mechanical work and motion. Active gels perform essential functions in living tissue. Here we introduce a single-chain mean-field model to describe the mechanical properties of active gels. We model the semiflexible filaments as bead-spring chains and the molecular motors are accounted for by using a mean-field approach. The level of description of the model includes the end-to-end length and attachment state of the filaments, and the motor-generated forces, as stochastic state variables which evolve according to a proposed differential Chapman-Kolmogorov equation. The model allows accounting for physics that are not available in models that have been postulated on coarser levels of description. Moreover it allows

  3. Nanobiological studies on drug design using molecular mechanic method

    PubMed Central

    Ghaheh, Hooria Seyedhosseini; Mousavi, Maryam; Araghi, Mahmood; Rasoolzadeh, Reza; Hosseini, Zahra

    2015-01-01

    Background: Influenza H1N1 is very important worldwide and point mutations that occur in the virus gene are a threat for the World Health Organization (WHO) and druggists, since they could make this virus resistant to the existing antibiotics. Influenza epidemics cause severe respiratory illness in 30 to 50 million people and kill 250,000 to 500,000 people worldwide every year. Nowadays, drug design is not done through trial and error because of its cost and waste of time; therefore bioinformatics studies is essential for designing drugs. Materials and Methods: This paper, infolds a study on binding site of Neuraminidase (NA) enzyme, (that is very important in drug design) in 310K temperature and different dielectrics, for the best drug design. Information of NA enzyme was extracted from Protein Data Bank (PDB) and National Center for Biotechnology Information (NCBI) websites. The new sequences of N1 were downloaded from the NCBI influenza virus sequence database. Drug binding sites were assimilated and homologized modeling using Argus lab 4.0, HyperChem 6.0 and Chem. D3 softwares. Their stability was assessed in different dielectrics and temperatures. Result: Measurements of potential energy (Kcal/mol) of binding sites of NA in different dielectrics and 310K temperature revealed that at time step size = 0 pSec drug binding sites have maximum energy level and at time step size = 100 pSec have maximum stability and minimum energy. Conclusions: Drug binding sites are more dependent on dielectric constants rather than on temperature and the optimum dielectric constant is 39/78. PMID:26605248

  4. On the Functional Role of the {epsilon} Subunit of the Molecular Motor F-Adenosine Triphosphatase in Lipid Membranes of Cells

    SciTech Connect

    Pikin, S. A. Loginov, E. B.

    2010-11-15

    The effect of the e subunit of the molecular motor F-adenosine triphosphatase, which is built into the lipid membrane of a cell, on the dynamics of the rotor ({gamma} subunit), with which this subunit is bound, has been qualitatively considered. It is shown that its structural and conformational features arising during the hydrolysis of 'fuel' adenosine triphosphate (ATP) molecules can be explained by the change in the potential within which the rotor is located. As the numerical calculations showed, at a low ATP concentration, the hydrolysis is accompanied by an unstable rotation of the {gamma} subunit and the related proton current. A model is proposed to describe the interaction between the {epsilon} subunit and the lipid order fluctuations caused by the membrane transition to the gel state. It is demonstrated that the rotor rotations become inhomogeneous when this interaction is enhanced with a decrease in the cell temperature.

  5. Design and finite element analysis of a new stack ultrasonic motor based on in-plane mode

    NASA Astrophysics Data System (ADS)

    Xiaoyan, Hou; Heow Pueh, Lee; Jin, Ong Chong; Siak Piang, Lim

    2012-11-01

    This paper presents a novel piezoelectric ultrasonic motor which is able to exert the strong actuating power of piezoelectric stacks. It is a linear standing wave motor with simple structure and high positioning speed. Elliptical motion at the driving point is achieved by simultaneously matching the natural frequencies of two operating modes of the device. The matched resonance is taken to be the operating frequency at which both modes can be excited. A prototype motor is developed and numerically analyzed. Vibration characteristics of the motor, such as mode shapes, natural frequencies, output displacement in frequency and time domains, electrical impedance of the stacks and trajectories of the driving point, are obtained from finite element analysis. The results confirm that the motor has high electromechanical efficiency with good mechanical output characteristics.

  6. Rational approaches to design of therapeutics targeting molecular markers.

    PubMed

    Klasa, R J; List, A F; Cheson, B D

    2001-01-01

    This paper introduces novel therapeutic strategies focusing on a molecular marker relevant to a particular hematologic malignancy. Four different approaches targeting specific molecules in unique pathways will be presented. The common theme will be rational target selection in a strategy that has reached the early phase of human clinical trial in one malignancy, but with a much broader potential applicability to the technology. In Section I Dr. Richard Klasa presents preclinical data on the use of antisense oligonucleotides directed at the bcl-2 gene message to specifically downregulate Bcl-2 protein expression in non-Hodgkin's lymphomas and render the cells more susceptible to the induction of apoptosis. In Section II Dr. Alan List reviews the targeting of vascular endothelial growth factor (VEGF) and its receptor in anti-angiogenesis strategies for acute myeloid leukemia (AML) and myelodysplastic syndromes (MDS). In Section III Dr. Bruce Cheson describes recent progress in inhibiting cell cycle progression by selectively disrupting cyclin D1 with structurally unique compounds such as flavopiridol in mantle cell lymphoma as well as describing a new class of agents that affect proteasome degradation pathways.

  7. Molecular Entropy, Thermal Efficiency, and Designing of Working Fluids for Organic Rankine Cycles

    NASA Astrophysics Data System (ADS)

    Wang, Jingtao; Zhang, Jin; Chen, Zhiyou

    2012-06-01

    A shortage of fossil energy sources boosts the utilization of renewable energy. Among numerous novel techniques, recovering energy from low-grade heat sources through power generation via organic Rankine cycles (ORCs) is one of the focuses. Properties of working fluids are crucial for the ORC's performance. Many studies have been done to select proper working fluids or to design new working fluids. However, no researcher has systematically investigated the relationship between molecular structures and thermal efficiencies of various working fluids for an ideal ORC. This paper has investigated the interrelations of molecular structures, molecular entropies, and thermal efficiencies of various working fluids for an ideal ORC. By calculating thermal efficiencies and molecular entropies, we find that the molecular entropy is the most appropriate thermophysical property of a working fluid to determine how much energy can be converted into work and how much cannot in a system. Generally speaking, working fluids with low entropies will generally have high thermal efficiency for an ideal ORC. Based on this understanding, the direct interrelations of molecular structures and entropies provide an explicit interrelation between molecular structures and thermal efficiencies, and thus provide an insightful direction for molecular design of novel working fluids for ORCs.

  8. Tuning Multiple Motor Travel Via Single Motor Velocity

    PubMed Central

    Xu, Jing; Shu, Zhanyong; King, Stephen J.; Gross, Steven P.

    2012-01-01

    Microtubule-based molecular motors often work in small groups to transport cargos in cells. A key question in understanding transport (and its regulation in vivo) is to identify the sensitivity of multiple-motor-based motion to various single molecule properties. Whereas both single-motor travel distance and microtubule binding rate have been demonstrated to contribute to cargo travel, the role of single-motor velocity is yet to be explored. Here, we recast a previous theoretical study, and make explicit a potential contribution of velocity to cargo travel. We test this possibility experimentally, and demonstrate a strong negative correlation between single-motor velocity and cargo travel for transport driven by two motors. Our study thus discovers a previously unappreciated role of single-motor velocity in regulating multiple-motor transport. PMID:22672518

  9. Molecular designs for controlling the local environments around metal ions.

    PubMed

    Cook, Sarah A; Borovik, A S

    2015-08-18

    The functions of metal complexes are directly linked to the local environment in which they are housed; modifications to the local environment (or secondary coordination sphere) are known to produce changes in key properties of the metal centers that can affect reactivity. Noncovalent interactions are the most common and influential forces that regulate the properties of secondary coordination spheres, which leads to complexities in structure that are often difficult to achieve in synthetic systems. Using key architectural features from the active sites of metalloproteins as inspiration, we have developed molecular systems that enforce intramolecular hydrogen bonds (H-bonds) around a metal center via incorporation of H-bond donors and acceptors into rigid ligand scaffolds. We have utilized these molecular species to probe mechanistic aspects of biological dioxygen activation and water oxidation. This Account describes the stabilization and characterization of unusual M-oxo and heterobimetallic complexes. These types of species have been implicated in a range of oxidative processes in biology but are often difficult to study because of their inherent reactivity. Our H-bonding ligand systems allowed us to prepare an Fe(III)-oxo species directly from the activation of O2 that was subsequently oxidized to form a monomeric Fe(IV)-oxo species with an S = 2 spin state, similar to those species proposed as key intermediates in non-heme monooxygenases. We also demonstrated that a single Mn(III)-oxo center that was prepared from water could be converted to a high-spin Mn(V)-oxo species via stepwise oxidation, a process that mimics the oxidative charging of the oxygen-evolving complex (OEC) of photosystem II. Current mechanisms for photosynthetic O-O bond formation invoke a Mn(IV)-oxyl species rather than the isoelectronic Mn(V)-oxo system as the key oxidant based on computational studies. However, there is no experimental information to support the existence of a Mn

  10. Novel motor design for rotating anode x-ray tubes operating in the fringe field of a magnetic resonance imaging system

    SciTech Connect

    Lillaney, Prasheel; Pelc, Norbert; Shin Mihye; Hinshaw, Waldo; Fahrig, Rebecca; Bennett, N. Robert

    2013-02-15

    Purpose: Using hybrid x-ray/MR (XMR) systems for image guidance during interventional procedures could enhance the diagnosis and treatment of neurologic, oncologic, cardiovascular, and other disorders. The authors propose a close proximity hybrid system design in which a C-arm fluoroscopy unit is placed immediately adjacent to the solenoid magnet of a MR system with a minimum distance of 1.2 m between the x-ray and MR imaging fields of view. Existing rotating anode x-ray tube designs fail within MR fringe field environments because the magnetic fields alter the electron trajectories in the x-ray tube and act as a brake on the induction motor, reducing the rotation speed of the anode. In this study the authors propose a novel motor design that avoids the anode rotation speed reduction. Methods: The proposed design replaces the permanent magnet stator found in brushed dc motors with the radial component of the MR fringe field. The x-ray tube is oriented such that the radial component of the MR fringe field is orthogonal to the cathode-anode axis. Using a feedback position sensor and the support bearings as electrical slip rings, the authors use electrical commutation to eliminate the need for mechanical brushes and commutators. A vacuum compatible prototype of the proposed motor design was assembled, and its performance was evaluated at various operating conditions. The prototype consisted of a 3.1 in. diameter anode rated at 300 kHU with a ceramic rotor that was 5.6 in. in length and had a 2.9 in. diameter. The material chosen for all ceramic components was MACOR, a machineable glass ceramic developed by Corning Inc. The approximate weight of the entire assembly was 1750 g. The maximum rotation speed, angular acceleration, and acceleration time of the motor design were investigated, as well as the dependence of these parameters on rotor angular offset, magnetic field strength, and field orientation. The resonance properties of the authors' assembly were also

  11. Molecular Design of Near-IR Harvesting Unsymmetrical Squaraine Dyes

    SciTech Connect

    Kim, Sanghoon; Mor, Gopal K.; Paulose, Maggie; Varghese, Oomman K.; Baik, Chul; Grimes, Craig A.

    2010-08-17

    The functionalized unsymmetrical benzothiazole squaraine organic sensitizers 5-carboxy-2-({3-[(3-hexylbenzothiazol-2(3H)-ylidene)methyl]-2-hydroxy-4-oxo-2-cyclobuten-1-ylidene}methyl)-1-hexyl-3,3-dimethyl-3H-indolium (hereafter named as SK-11) and 5-carboxy-2-({3-[(3-hexyl-5-methoxybenzothiazol-2(3H)-ylidene)methyl]-2-hydroxy-4-oxo-2-cyclobuten-1-ylidene}methyl)-1-hexyl-3,3-dimethyl-3H-indolium (coded as SK-12) are designed and developed to observe an intense and wider absorption band in the red/NIR wavelength region. DFT/TDDFT calculations have been performed on the two unsymmetrical squaraine sensitizers to gain insight into their electronic and optical properties. The utility of these dyes in solid state dye sensitized solar cells (SS-DSSCs) is demonstrated.

  12. Applications of molecular physics 'biotechnology' to the rational design of an improved phenytoin analogue.

    PubMed

    Weaver, D F

    1992-12-01

    This study exploits molecular physics, in conjunction with a large scale computing environment, as a tool for understanding the clinical phenomenology of phenytoin (PHT) toxicology at a molecular level and for employing this understanding in an attempt to design improved drugs. The application of molecular physics techniques, such as quantum mechanics and molecular force field calculations, to the process of rational anticonvulsant drug design remains virtually unexplored. A 3-step strategy for applying these techniques to the design of an improved PHT molecule is presented. Step 1 employs quantitative structure-activity relationship calculations on 80 PHT analogues to ascertain the portion of the PHT molecule necessary for bioactivity (i.e. the 'bioactive face' of PHT); the N3-C4(O)-C5-R fragment of PHT was identified as the bioactive face. Step 2 employs molecular modelling studies to determine the portion of the PHT molecule necessary for the teratogenic, mutagenic and connective tissue toxicities of PHT (i.e. the 'biotoxic face'); the C2(O)-N3 fragment of PHT was identified as the biotoxic face. Step 3 experiments design an 'improved' PHT analogue, which maintains the bioactive face while eliminating the integrity of the biotoxic face; 2-deoxy-5,5-diphenylhydantoin was designed and synthesized as the improved PHT analogue. This compound had biological activity equivalent to PHT, but was unable to bind to nucleic acids or to chelate metals involved in connective tissue metabolism. PMID:1344772

  13. Applications of molecular physics 'biotechnology' to the rational design of an improved phenytoin analogue.

    PubMed

    Weaver, D F

    1992-12-01

    This study exploits molecular physics, in conjunction with a large scale computing environment, as a tool for understanding the clinical phenomenology of phenytoin (PHT) toxicology at a molecular level and for employing this understanding in an attempt to design improved drugs. The application of molecular physics techniques, such as quantum mechanics and molecular force field calculations, to the process of rational anticonvulsant drug design remains virtually unexplored. A 3-step strategy for applying these techniques to the design of an improved PHT molecule is presented. Step 1 employs quantitative structure-activity relationship calculations on 80 PHT analogues to ascertain the portion of the PHT molecule necessary for bioactivity (i.e. the 'bioactive face' of PHT); the N3-C4(O)-C5-R fragment of PHT was identified as the bioactive face. Step 2 employs molecular modelling studies to determine the portion of the PHT molecule necessary for the teratogenic, mutagenic and connective tissue toxicities of PHT (i.e. the 'biotoxic face'); the C2(O)-N3 fragment of PHT was identified as the biotoxic face. Step 3 experiments design an 'improved' PHT analogue, which maintains the bioactive face while eliminating the integrity of the biotoxic face; 2-deoxy-5,5-diphenylhydantoin was designed and synthesized as the improved PHT analogue. This compound had biological activity equivalent to PHT, but was unable to bind to nucleic acids or to chelate metals involved in connective tissue metabolism.

  14. Topological considerations for the design of molecular donors with multiple absorbing units.

    PubMed

    Lai, Lai Fan; Love, John A; Sharenko, Alexander; Coughlin, Jessica E; Gupta, Vinay; Tretiak, Sergei; Nguyen, Thuc-Quyen; Wong, Wai-Yeung; Bazan, Guillermo C

    2014-04-16

    The molecule AT1, with two weakly conjugated chromophores, was designed, synthesized, and examined within the context of its film forming tendencies. While the addition of the second chromophore to the central core enables broadening of the absorption spectrum, this change is mostly apparent in films that are grown slowly. Grazing incidence X-ray scattering (GIWAXS) analysis indicates that these spectral characteristics correspond to an increase in solid state ordering. This information, in combination with differential scanning calorimetry, suggests that the overall molecular shape provides a kinetic barrier to crystallization. As a result, one finds the absence of molecular order when AT1 is combined with PC71BM in solution-cast blends. These findings highlight the importance of molecular topology when designing molecular components for solar cell devices. PMID:24655050

  15. Design Principles of Regulatory Networks: Searching for the Molecular Algorithms of the Cell

    PubMed Central

    Lim, Wendell A.; Lee, Connie M.; Tang, Chao

    2013-01-01

    A challenge in biology is to understand how complex molecular networks in the cell execute sophisticated regulatory functions. Here we explore the idea that there are common and general principles that link network structures to biological functions, principles that constrain the design solutions that evolution can converge upon for accomplishing a given cellular task. We describe approaches for classifying networks based on abstract architectures and functions, rather than on the specific molecular components of the networks. For any common regulatory task, can we define the space of all possible molecular solutions? Such inverse approaches might ultimately allow the assembly of a design table of core molecular algorithms that could serve as a guide for building synthetic networks and modulating disease networks. PMID:23352241

  16. Magnetically Coupled Adjustable Speed Motor Drives - Motor Tip Sheet #13

    SciTech Connect

    2008-07-01

    Alternating current electric motors rotate at a nearly constant speed that is determined by motor design and line frequency. Energy savings of 50% or more may be available when fixed speed systems are modified to allow the motor speed to match variable load requirements of a centrifugal fan or pump.

  17. Molecular Design of Benzodithiophene-Based Organic Photovoltaic Materials.

    PubMed

    Yao, Huifeng; Ye, Long; Zhang, Hao; Li, Sunsun; Zhang, Shaoqing; Hou, Jianhui

    2016-06-22

    Advances in the design and application of highly efficient conjugated polymers and small molecules over the past years have enabled the rapid progress in the development of organic photovoltaic (OPV) technology as a promising alternative to conventional solar cells. Among the numerous OPV materials, benzodithiophene (BDT)-based polymers and small molecules have come to the fore in achieving outstanding power conversion efficiency (PCE) and breaking 10% efficiency barrier in the single junction OPV devices. Remarkably, the OPV device featured by BDT-based polymer has recently demonstrated an impressive PCE of 11.21%, indicating the great potential of this class of materials in commercial photovoltaic applications. In this review, we offered an overview of the organic photovoltaic materials based on BDT from the aspects of backbones, functional groups, alkyl chains, and device performance, trying to provide a guideline about the structure-performance relationship. We believe more exciting BDT-based photovoltaic materials and devices will be developed in the near future. PMID:27251307

  18. Toward understanding the molecular basis for chemical allosteric modulator design.

    PubMed

    Wang, Qi; Zheng, Mingyue; Huang, Zhimin; Liu, Xinyi; Zhou, Huchen; Chen, Yingyi; Shi, Ting; Zhang, Jian

    2012-09-01

    Among the regulation mechanisms of cellular function, allosteric regulation is the most direct, rapid and efficient. Due to the wider receptor selectivity and lower target-based toxicity, compared with orthosteric ligands, allosteric modulators are expected to play a larger role in pharmaceutical research and development. However, current difficulties, such as a low affinity and unknown structural features of potential allosteric small-molecules, usually obstruct the discovery of allosteric modulators. In this study, we compared known allosteric modulators with various compounds from different databases to unveil the structural and qualitative characteristics of allosteric modulators. The results show that allosteric modulators generally contain more hydrophobic scaffolds and have a higher structural rigidity, i.e., less rotatable bonds and more rings. Based on this analysis, an empirical rule was defined to determine the structural requirements for an allosteric modulator. It was found that a large proportion of allosteric modulators (80%) can be successfully retrieved by this "allosteric-like" filter, which shows good discriminatory power in identifying allosteric modulators. Therefore, the study provides deeper insight into the chemical properties of allosteric modulators and has a good potential for the design or optimization of allosteric compounds. PMID:23085171

  19. Molecular Design of Benzodithiophene-Based Organic Photovoltaic Materials.

    PubMed

    Yao, Huifeng; Ye, Long; Zhang, Hao; Li, Sunsun; Zhang, Shaoqing; Hou, Jianhui

    2016-06-22

    Advances in the design and application of highly efficient conjugated polymers and small molecules over the past years have enabled the rapid progress in the development of organic photovoltaic (OPV) technology as a promising alternative to conventional solar cells. Among the numerous OPV materials, benzodithiophene (BDT)-based polymers and small molecules have come to the fore in achieving outstanding power conversion efficiency (PCE) and breaking 10% efficiency barrier in the single junction OPV devices. Remarkably, the OPV device featured by BDT-based polymer has recently demonstrated an impressive PCE of 11.21%, indicating the great potential of this class of materials in commercial photovoltaic applications. In this review, we offered an overview of the organic photovoltaic materials based on BDT from the aspects of backbones, functional groups, alkyl chains, and device performance, trying to provide a guideline about the structure-performance relationship. We believe more exciting BDT-based photovoltaic materials and devices will be developed in the near future.

  20. Development of a genetic algorithm for molecular scale catalyst design

    SciTech Connect

    McLeod, A.S.; Gladden, L.F.; Johnston, M.E.

    1997-04-01

    A genetic algorithm has been developed to determine the optimal design of a two-component catalyst for the diffusion-limited A + B AB{up_arrow} reaction in which each species is adsorbed specifically on one of two types of sites. Optimization of the distribution of catalytic sites on the surface is achieved by means of an evolutionary algorithm which repeatedly selects the more active surfaces from a population of possible solutions leading to a gradual improvement in the activity of the catalyst surface. A Monte Carlo simulation is used to determine the activity of each of the catalyst surfaces. It is found that for a reacting mixture composed of equal amounts of each component the optimal active site distribution is that of a checkerboard, this solution being approximately 25% more active than a random site distribution. Study of a range of reactant compositions has shown the optimal distribution of catalytically active sites to be dependent on the composition of the ratio of A to B in the reacting mixture. The potential for application of the optimization method introduced here to other catalysts systems is discussed. 27 refs., 7 figs.

  1. Structural design and molecular evolution of a cytokine receptor superfamily.

    PubMed Central

    Bazan, J F

    1990-01-01

    A family of cytokine receptors comprising molecules specific for a diverse group of hematopoietic factors and growth hormones has been principally defined by a striking homology of binding domains. This work proposes that the approximately 200-residue binding segment of the canonical cytokine receptor is composed of two discrete folding domains that share a significant sequence and structural resemblance. Analogous motifs are found in tandem approximately 100-amino acid domains in the extracellular segments of a receptor family formed by the interferon-alpha/beta and -gamma receptors and tissue factor, a membrane tether for a coagulation protease. Domains from the receptor supergroup reveal clear evolutionary links to fibronectin type III structures, approximately 90-amino acid modules that are typically found in cell surface molecules with adhesive functions. Predictive structural analysis of the shared receptor and fibronectin domains locates seven beta-strands in conserved regions of the chain; these strands are modeled to fold into antiparallel beta-sandwiches with a topology that is similar to immunoglobulin constant domains. These findings have strong implications for understanding the evolutionary emergence of an important class of regulatory molecules from primitive adhesive modules. In addition, the resulting double-barrel design of the receptors and the spatial clustering of conserved residues suggest a likely binding site for cytokine ligands. Images PMID:2169613

  2. Chemistry: No turning back for motorized molecules

    NASA Astrophysics Data System (ADS)

    Clayden, Jonathan

    2016-06-01

    Two molecular motors have been developed that use chemical energy to drive rotational motion in a single direction. The findings bring the prospect of devices powered by such motors a tantalizing step closer. See Letter p.235

  3. Pentameric models as alternative molecular targets for the design of new antiaggregant agents.

    PubMed

    Barrera Guisasola, Exequiel E; Gutierrez, Lucas J; Andujar, Sebastián A; Angelina, Emilio; Rodríguez, Ana M; Enriz, Ricardo D

    2016-01-01

    The structure-based drug design has been an extremely useful technique used for searching and developing of new therapeutic agents in various biological systems. In the case of AD, this approach has been difficult to implement. Among other several causes, the main problem might be the lack of a specific stable and reliable molecular target. In this paper the results obtained using a pentameric amyloid beta (Aβ) model as a molecular target are discussed. Our MD simulations have shown that this system is relatively structured and stable, displaying a lightly conformational flexibility during 2.0 μs of simulation time. This study allowed us to distinguish characteristic structural features in specific regions of the pentamer which should be taken into account when choosing this model as a molecular target. This represents a clear advantage compared to the monomer or dimer models which are highly flexible structures with large numbers of possible conformers. Using this pentameric model we performed two types of studies usually carried out on a molecular target: a virtual screening and the design on structural basis of new mimetic peptides with antiaggregant properties. Our results indicate that this pentameric model might be a good molecular target for these particular studies of molecular modeling. Details about the predictive power of our virtual screening as well as about the molecular interactions that stabilize the mimetic peptide-pentamer Aβ complexes are discussed in this paper.

  4. Design and optimization of molecular beacon real-time polymerase chain reaction assays.

    PubMed

    Vet, Jacqueline A M; Marras, Salvatore A E

    2005-01-01

    During the last few years, several innovative technologies have become available for performing sensitive and accurate genetic analyses. These techniques use fluorescent detection strategies in combination with nucleic acid amplification protocols. Most commonly used is the real-time polymerase chain reaction (PCR). To achieve the maximum potential of a real-time PCR assay, several parameters must be evaluated and optimized independently. This chapter describes the different steps necessary for establishing a molecular beacon real-time PCR assay: (1) target design, (2) primer design, (3) optimization of the amplification reaction conditions using SYBR Green, (4) molecular beacon design, and (5) molecular beacon synthesis and characterization. The last section provides an example of a multiplex quantitative real-time PCR.

  5. Optimal Control Strategy Design Based on Dynamic Programming for a Dual-Motor Coupling-Propulsion System

    PubMed Central

    Zhang, Shuo; Zhang, Chengning; Han, Guangwei; Wang, Qinghui

    2014-01-01

    A dual-motor coupling-propulsion electric bus (DMCPEB) is modeled, and its optimal control strategy is studied in this paper. The necessary dynamic features of energy loss for subsystems is modeled. Dynamic programming (DP) technique is applied to find the optimal control strategy including upshift threshold, downshift threshold, and power split ratio between the main motor and auxiliary motor. Improved control rules are extracted from the DP-based control solution, forming near-optimal control strategies. Simulation results demonstrate that a significant improvement in reducing energy loss due to the dual-motor coupling-propulsion system (DMCPS) running is realized without increasing the frequency of the mode switch. PMID:25540814

  6. Maximizing the dielectric response of molecular thin films via quantum chemical design.

    PubMed

    Heitzer, Henry M; Marks, Tobin J; Ratner, Mark A

    2014-12-23

    Developing high-capacitance organic gate dielectrics is critical for advances in electronic circuitry based on unconventional semiconductors. While high-dielectric constant molecular substances are known, the mechanism of dielectric response and the fundamental chemical design principles are not well understood. Using a plane-wave density functional theory formalism, we show that it is possible to map the atomic-scale dielectric profiles of molecule-based materials while capturing important bulk characteristics. For molecular films, this approach reveals how basic materials properties such as surface coverage density, molecular tilt angle, and π-system planarity can dramatically influence dielectric response. Additionally, relatively modest molecular backbone and substituent variations can be employed to substantially enhance film dielectric response. For dense surface coverages and proper molecular alignment, conjugated hydrocarbon chains can achieve dielectric constants of >8.0, more than 3 times that of analogous saturated chains, ∼2.5. However, this conjugation-related dielectric enhancement depends on proper molecular orientation and planarization, with enhancements up to 60% for proper molecular alignment with the applied field and an additional 30% for conformations such as coplanarity in extended π-systems. Conjugation length is not the only determinant of dielectric response, and appended polarizable high-Z substituents can increase molecular film response more than 2-fold, affording estimated capacitances of >9.0 μF/cm2. However, in large π-systems, polar substituent effects are substantially attenuated.

  7. Development of design information for molecular-sieve type regenerative CO2-removal systems

    NASA Technical Reports Server (NTRS)

    Wright, R. M.; Ruder, J. M.; Dunn, V. B.; Hwang, K. C.

    1973-01-01

    Experimental and analytic studies were conducted with molecular sieve sorbents to provide basic design information, and to develop a system design technique for regenerable CO2-removal systems for manned spacecraft. Single sorbate equilibrium data were obtained over a wide range of conditions for CO2, water, nitrogen, and oxygen on several molecular sieve and silica gel sorbents. The coadsorption of CO2 with water preloads, and with oxygen and nitrogen was experimentally evaluated. Mass-transfer, and some limited heat-transfer performance evaluations were accomplished under representative operating conditions, including the coadsorption of CO2 and water. CO2-removal system performance prediction capability was derived.

  8. A New Type of Motor: Pneumatic Step Motor

    PubMed Central

    Stoianovici, Dan; Patriciu, Alexandru; Petrisor, Doru; Mazilu, Dumitru; Kavoussi, Louis

    2011-01-01

    This paper presents a new type of pneumatic motor, a pneumatic step motor (PneuStep). Directional rotary motion of discrete displacement is achieved by sequentially pressurizing the three ports of the motor. Pulsed pressure waves are generated by a remote pneumatic distributor. The motor assembly includes a motor, gearhead, and incremental position encoder in a compact, central bore construction. A special electronic driver is used to control the new motor with electric stepper indexers and standard motion control cards. The motor accepts open-loop step operation as well as closed-loop control with position feedback from the enclosed sensor. A special control feature is implemented to adapt classic control algorithms to the new motor, and is experimentally validated. The speed performance of the motor degrades with the length of the pneumatic hoses between the distributor and motor. Experimental results are presented to reveal this behavior and set the expectation level. Nevertheless, the stepper achieves easily controllable precise motion unlike other pneumatic motors. The motor was designed to be compatible with magnetic resonance medical imaging equipment, for actuating an image-guided intervention robot, for medical applications. For this reason, the motors were entirely made of nonmagnetic and dielectric materials such as plastics, ceramics, and rubbers. Encoding was performed with fiber optics, so that the motors are electricity free, exclusively using pressure and light. PneuStep is readily applicable to other pneumatic or hydraulic precision-motion applications. PMID:21528106

  9. A New Type of Motor: Pneumatic Step Motor.

    PubMed

    Stoianovici, Dan; Patriciu, Alexandru; Petrisor, Doru; Mazilu, Dumitru; Kavoussi, Louis

    2007-02-01

    This paper presents a new type of pneumatic motor, a pneumatic step motor (PneuStep). Directional rotary motion of discrete displacement is achieved by sequentially pressurizing the three ports of the motor. Pulsed pressure waves are generated by a remote pneumatic distributor. The motor assembly includes a motor, gearhead, and incremental position encoder in a compact, central bore construction. A special electronic driver is used to control the new motor with electric stepper indexers and standard motion control cards. The motor accepts open-loop step operation as well as closed-loop control with position feedback from the enclosed sensor. A special control feature is implemented to adapt classic control algorithms to the new motor, and is experimentally validated. The speed performance of the motor degrades with the length of the pneumatic hoses between the distributor and motor. Experimental results are presented to reveal this behavior and set the expectation level. Nevertheless, the stepper achieves easily controllable precise motion unlike other pneumatic motors. The motor was designed to be compatible with magnetic resonance medical imaging equipment, for actuating an image-guided intervention robot, for medical applications. For this reason, the motors were entirely made of nonmagnetic and dielectric materials such as plastics, ceramics, and rubbers. Encoding was performed with fiber optics, so that the motors are electricity free, exclusively using pressure and light. PneuStep is readily applicable to other pneumatic or hydraulic precision-motion applications. PMID:21528106

  10. Closed-Loop Motor-Speed Control

    NASA Technical Reports Server (NTRS)

    Smith, Matthew A.; Delcher, Ray C.; Huston, Steven W.

    1989-01-01

    Electronic motor-speed control circuit designed to operate in electrically noisy environment. Includes optoelectronic pick-up device, placed inside motor housing to provide speed feedback signal. Automatically maintains speed motor at commanded value. Measures speed of motor in terms of frequency of pulses of infrared light chopped by fan blades of motor. Difference between measured and commanded speeds serves as control signal for external amplifier driving motor. Major advantage of circuit is low cost.

  11. Skating crossovers on a motorized flywheel: a preliminary experimental design to test effect on speed and on crossovers.

    PubMed

    Smith, Aynsley M; Krause, David A; Stuart, Michael J; Montelpare, William J; Sorenson, Matthew C; Link, Andrew A; Gaz, Daniel V; Twardowski, Casey P; Larson, Dirk R; Stuart, Michael B

    2013-12-01

    Ice hockey requires frequent skater crossovers to execute turns. Our investigation aimed to determine the effectiveness of training crossovers on a motorized, polyethylene high-resistance flywheel. We hypothesized that high school hockey players training on the flywheel would perform as well as their peers training on ice. Participants were 23 male high-school hockey players (age 15-19 years). The study used an experimental prospective design to compare players who trained for 9 sessions on the 22-foot flywheel with players who trained for 9 sessions on a similarly sized on-ice circle. Both groups were compared with control subjects who were randomly selected from the same participant pool as those training on ice. All players were tested before and after their 3-week training regimens, and control subjects were asked to not practice crossovers between testing. Group 1 trained in a hockey training facility housing the flywheel, and group 2 trained in the ice hockey arena where testing occurred. Primary outcome measures tested in both directions were: (a) speed (time in seconds) required to skate crossovers for 3 laps of a marked face-off circle, (b) cadence of skating crossovers on the similarly sized circles, and (c) a repeat interval speed test, which measures anaerobic power. No significant changes were found between groups in on-ice testing before and after training. Among the group 1 players, 7 of 8 believed they benefited from flywheel training. Group 2 players, who trained on ice, did not improve performance significantly over group 1 players. Despite the fact that no significant on-ice changes in performance were observed in objective measures, players who trained on the flywheel subjectively reported that the flywheel is an effective cost-effective alternative to training on ice. This is a relevant finding when placed in context with limited availability of on-ice training. PMID:23539081

  12. Lack of serotonin1B receptor expression leads to age-related motor dysfunction, early onset of brain molecular aging and reduced longevity

    PubMed Central

    Sibille, E; Su, J; Leman, S; Le Guisquet, AM; Ibarguen-Vargas, Y; Joeyen-Waldorf, J; Glorioso, C; Tseng, GC; Pezzone, M; Hen, R; Belzung, C

    2008-01-01

    Normal aging of the brain differs from pathological conditions and is associated with increased risk for psychiatric and neurological disorders. In addition to its role in the etiology and treatment of mood disorders, altered serotonin (5-HT) signaling is considered a contributing factor to aging; however, no causative role has been identified in aging. We hypothesized that a deregulation of the 5-HT system would reveal its contribution to age-related processes and investigated behavioral and molecular changes throughout adult life in mice lacking the regulatory presynaptic 5-HT1B receptor (5-HT1BR), a candidate gene for 5-HT-mediated age-related functions. We show that the lack of 5-HT1BR (Htr1bKO mice) induced an early age-related motor decline and resulted in decreased longevity. Analysis of life-long transcriptome changes revealed an early and global shift of the gene expression signature of aging in the brain of Htr1bKO mice. Moreover, molecular changes reached an apparent maximum effect at 18-months in Htr1bKO mice, corresponding to the onset of early death in that group. A comparative analysis with our previous characterization of aging in the human brain revealed a phylogenetic conservation of age-effect from mice to humans, and confirmed the early onset of molecular aging in Htr1bKO mice. Potential mechanisms appear independent of known central mechanisms (Bdnf, inflammation), but may include interactions with previously identified age-related systems (IGF-1, sirtuins). In summary, our findings suggest that the onset of age-related events can be influenced by altered 5-HT function, thus identifying 5-HT as a modulator of brain aging, and suggesting age-related consequences to chronic manipulation of 5-HT. PMID:17420766

  13. Molecular, Physiological, and Motor Performance Defects in DMSXL Mice Carrying >1,000 CTG Repeats from the Human DM1 Locus

    PubMed Central

    Huguet, Aline; Medja, Fadia; Nicole, Annie; Vignaud, Alban; Guiraud-Dogan, Céline; Ferry, Arnaud; Decostre, Valérie; Hogrel, Jean-Yves; Metzger, Friedrich; Hoeflich, Andreas; Baraibar, Martin; Gomes-Pereira, Mário; Puymirat, Jack; Bassez, Guillaume; Furling, Denis; Munnich, Arnold; Gourdon, Geneviève

    2012-01-01

    Myotonic dystrophy type 1 (DM1) is caused by an unstable CTG repeat expansion in the 3′UTR of the DM protein kinase (DMPK) gene. DMPK transcripts carrying CUG expansions form nuclear foci and affect splicing regulation of various RNA transcripts. Furthermore, bidirectional transcription over the DMPK gene and non-conventional RNA translation of repeated transcripts have been described in DM1. It is clear now that this disease may involve multiple pathogenic pathways including changes in gene expression, RNA stability and splicing regulation, protein translation, and micro–RNA metabolism. We previously generated transgenic mice with 45-kb of the DM1 locus and >300 CTG repeats (DM300 mice). After successive breeding and a high level of CTG repeat instability, we obtained transgenic mice carrying >1,000 CTG (DMSXL mice). Here we described for the first time the expression pattern of the DMPK sense transcripts in DMSXL and human tissues. Interestingly, we also demonstrate that DMPK antisense transcripts are expressed in various DMSXL and human tissues, and that both sense and antisense transcripts accumulate in independent nuclear foci that do not co-localize together. Molecular features of DM1-associated RNA toxicity in DMSXL mice (such as foci accumulation and mild missplicing), were associated with high mortality, growth retardation, and muscle defects (abnormal histopathology, reduced muscle strength, and lower motor performances). We have found that lower levels of IGFBP-3 may contribute to DMSXL growth retardation, while increased proteasome activity may affect muscle function. These data demonstrate that the human DM1 locus carrying very large expansions induced a variety of molecular and physiological defects in transgenic mice, reflecting DM1 to a certain extent. As a result, DMSXL mice provide an animal tool to decipher various aspects of the disease mechanisms. In addition, these mice can be used to test the preclinical impact of systemic therapeutic

  14. Cryogenic Electric Motor Tested

    NASA Technical Reports Server (NTRS)

    Brown, Gerald V.

    2004-01-01

    Technology for pollution-free "electric flight" is being evaluated in a number of NASA Glenn Research Center programs. One approach is to drive propulsive fans or propellers with electric motors powered by fuel cells running on hydrogen. For large transport aircraft, conventional electric motors are far too heavy to be feasible. However, since hydrogen fuel would almost surely be carried as liquid, a propulsive electric motor could be cooled to near liquid hydrogen temperature (-423 F) by using the fuel for cooling before it goes to the fuel cells. Motor windings could be either superconducting or high purity normal copper or aluminum. The electrical resistance of pure metals can drop to 1/100th or less of their room-temperature resistance at liquid hydrogen temperature. In either case, super or normal, much higher current density is possible in motor windings. This leads to more compact motors that are projected to produce 20 hp/lb or more in large sizes, in comparison to on the order of 2 hp/lb for large conventional motors. High power density is the major goal. To support cryogenic motor development, we have designed and built in-house a small motor (7-in. outside diameter) for operation in liquid nitrogen.

  15. The Autophagy Receptor TAX1BP1 and the Molecular Motor Myosin VI Are Required for Clearance of Salmonella Typhimurium by Autophagy.

    PubMed

    Tumbarello, David A; Manna, Paul T; Allen, Mark; Bycroft, Mark; Arden, Susan D; Kendrick-Jones, John; Buss, Folma

    2015-10-01

    Autophagy plays a key role during Salmonella infection, by eliminating these pathogens following escape into the cytosol. In this process, selective autophagy receptors, including the myosin VI adaptor proteins optineurin and NDP52, have been shown to recognize cytosolic pathogens. Here, we demonstrate that myosin VI and TAX1BP1 are recruited to ubiquitylated Salmonella and play a key role in xenophagy. The absence of TAX1BP1 causes an accumulation of ubiquitin-positive Salmonella, whereas loss of myosin VI leads to an increase in ubiquitylated and LC3-positive bacteria. Our structural studies demonstrate that the ubiquitin-binding site of TAX1BP1 overlaps with the myosin VI binding site and point mutations in the TAX1BP1 zinc finger domains that affect ubiquitin binding also ablate binding to myosin VI. This mutually exclusive binding and the association of TAX1BP1 with LC3 on the outer limiting membrane of autophagosomes may suggest a molecular mechanism for recruitment of this motor to autophagosomes. The predominant role of TAX1BP1, a paralogue of NDP52, in xenophagy is supported by our evolutionary analysis, which demonstrates that functionally intact NDP52 is missing in Xenopus and mice, whereas TAX1BP1 is expressed in all vertebrates analysed. In summary, this work highlights the importance of TAX1BP1 as a novel autophagy receptor in myosin VI-mediated xenophagy. Our study identifies essential new machinery for the autophagy-dependent clearance of Salmonella typhimurium and suggests modulation of myosin VI motor activity as a potential therapeutic target in cellular immunity.

  16. Comparing the effect of different design of desks with regard to motor accuracy in writing performance of students with cerebral palsy.

    PubMed

    Shen, I-hsuan; Kang, Sue-may; Wu, Ching-yi

    2003-03-01

    This study was conducted to examine the effect of ergonomic desk design for improving motor accuracy in the writing performance of cerebral palsy students. Thirty-two cerebral palsy students were tested in four workstations. The test order was randomized. Work surface design involved a regular work surface and a cutout work surface, and desk angle design included a horizontal desk top and a 20 degrees inclined desktop. The height of the desk and chair were adjusted relatively to each subject's height and popliteal height. Writing performance while using the four workstations were compared by administering the Motor Accuracy Test. Motor writing accuracy adjusted for speed was significantly better at the cutout work surface than at the regular work surface. Students with athetoid quadriplegia benefited more from the cutout surface. Although the inclined desktop was more appropriate for better vision and less neck flexion, there were no differences in accuracy scores and adjusted scores between the horizontal desk and the inclined desk. These findings support the hypothesis that the cutout work surface, which was accommodated to the anterior trunk, facilitates trunk control and provides forearm support in addition to improving writing performance.

  17. AUTOMOTIVE DIESEL MAINTENANCE 2. UNIT XIX, LEARNING ABOUT CRANKING MOTORS.

    ERIC Educational Resources Information Center

    Human Engineering Inst., Cleveland, OH.

    THIS MODULE OF A 25-MODULE COURSE IS DESIGNED TO DEVELOP AN UNDERSTANDING OF THE OPERATING PRINCIPLES OF CRANKING MOTORS USED ON DIESEL POWERED EQUIPMENT, TOPICS ARE (1) CRANKING MOTORS. (2) MOTOR PINCIPLES, (3) CRANKING MOTOR CIRCUITS, (4) TYPES OF CRANKING MOTOR DRIVES, AND (5) CRANKING MOTOR SOLENOID CIRCUITS. THE MODULE CONSISTS OF A…

  18. Solution NMR structure of a designed metalloprotein and complementary molecular dynamics refinement.

    PubMed

    Calhoun, Jennifer R; Liu, Weixia; Spiegel, Katrin; Dal Peraro, Matteo; Klein, Michael L; Valentine, Kathleen G; Wand, A Joshua; DeGrado, William F

    2008-02-01

    We report the solution NMR structure of a designed dimetal-binding protein, di-Zn(II) DFsc, along with a secondary refinement step employing molecular dynamics techniques. Calculation of the initial NMR structural ensemble by standard methods led to distortions in the metal-ligand geometries at the active site. Unrestrained molecular dynamics using a nonbonded force field for the metal shell, followed by quantum mechanical/molecular mechanical dynamics of DFsc, were used to relax local frustrations at the dimetal site that were apparent in the initial NMR structure and provide a more realistic description of the structure. The MD model is consistent with NMR restraints, and in good agreement with the structural and functional properties expected for DF proteins. This work demonstrates that NMR structures of metalloproteins can be further refined using classical and first-principles molecular dynamics methods in the presence of explicit solvent to provide otherwise unavailable insight into the geometry of the metal center.

  19. Computational design of intrinsic molecular rectifiers based on asymmetric functionalization of N-phenylbenzamide

    SciTech Connect

    Ding, Wendu; Koepf, Matthieu; Koenigsmann, Christopher; Batra, Arunabh; Venkataraman, Latha; Negre, Christian F. A.; Brudvig, Gary W.; Crabtree, Robert H.; Schmuttenmaer, Charles A.; Batista, Victor S.

    2015-12-08

    Here, we report a systematic computational search of molecular frameworks for intrinsic rectification of electron transport. The screening of molecular rectifiers includes 52 molecules and conformers spanning over 9 series of structural motifs. N-Phenylbenzamide is found to be a promising framework with both suitable conductance and rectification properties. A targeted screening performed on 30 additional derivatives and conformers of N-phenylbenzamide yielded enhanced rectification based on asymmetric functionalization. We demonstrate that electron-donating substituent groups that maintain an asymmetric distribution of charge in the dominant transport channel (e.g., HOMO) enhance rectification by raising the channel closer to the Fermi level. These findings are particularly valuable for the design of molecular assemblies that could ensure directionality of electron transport in a wide range of applications, from molecular electronics to catalytic reactions.

  20. Computational design of intrinsic molecular rectifiers based on asymmetric functionalization of N-phenylbenzamide

    DOE PAGESBeta

    Ding, Wendu; Koepf, Matthieu; Koenigsmann, Christopher; Batra, Arunabh; Venkataraman, Latha; Negre, Christian F. A.; Brudvig, Gary W.; Crabtree, Robert H.; Schmuttenmaer, Charles A.; Batista, Victor S.

    2015-11-03

    Here, we report a systematic computational search of molecular frameworks for intrinsic rectification of electron transport. The screening of molecular rectifiers includes 52 molecules and conformers spanning over 9 series of structural motifs. N-Phenylbenzamide is found to be a promising framework with both suitable conductance and rectification properties. A targeted screening performed on 30 additional derivatives and conformers of N-phenylbenzamide yielded enhanced rectification based on asymmetric functionalization. We demonstrate that electron-donating substituent groups that maintain an asymmetric distribution of charge in the dominant transport channel (e.g., HOMO) enhance rectification by raising the channel closer to the Fermi level. These findingsmore » are particularly valuable for the design of molecular assemblies that could ensure directionality of electron transport in a wide range of applications, from molecular electronics to catalytic reactions.« less

  1. Computational design of intrinsic molecular rectifiers based on asymmetric functionalization of N-phenylbenzamide

    SciTech Connect

    Ding, Wendu; Koepf, Matthieu; Koenigsmann, Christopher; Batra, Arunabh; Venkataraman, Latha; Negre, Christian F. A.; Brudvig, Gary W.; Crabtree, Robert H.; Schmuttenmaer, Charles A.; Batista, Victor S.

    2015-11-03

    Here, we report a systematic computational search of molecular frameworks for intrinsic rectification of electron transport. The screening of molecular rectifiers includes 52 molecules and conformers spanning over 9 series of structural motifs. N-Phenylbenzamide is found to be a promising framework with both suitable conductance and rectification properties. A targeted screening performed on 30 additional derivatives and conformers of N-phenylbenzamide yielded enhanced rectification based on asymmetric functionalization. We demonstrate that electron-donating substituent groups that maintain an asymmetric distribution of charge in the dominant transport channel (e.g., HOMO) enhance rectification by raising the channel closer to the Fermi level. These findings are particularly valuable for the design of molecular assemblies that could ensure directionality of electron transport in a wide range of applications, from molecular electronics to catalytic reactions.

  2. Molecular structure descriptors in the computer-aided design of biologically active compounds

    NASA Astrophysics Data System (ADS)

    Raevsky, Oleg A.

    1999-06-01

    The current state of description of molecular structure in computer-aided molecular design of biologically active compounds by means of descriptors is analysed. The information contents of descriptors increases in the following sequence: element-level descriptors-structural formulae descriptors-electronic structure descriptors-molecular shape descriptors-intermolecular interaction descriptors. Each subsequent class of descriptors normally covers information contained in the previous-level ones. It is emphasised that it is practically impossible to describe all the features of a molecular structure in terms of any single class of descriptors. It is recommended to optimise the number of descriptors used by means of appropriate statistical procedures and characteristics of structure-property models based on these descriptors. The bibliography includes 371 references.

  3. Target discrimination by surface-immobilized molecular beacons designed to detect Francisella tularensis.

    PubMed

    Ramachandran, Akhilesh; Flinchbaugh, James; Ayoubi, Patricia; Olah, Glenn A; Malayer, Jerry R

    2004-02-15

    A molecular beacon (MB) array was designed based on unique regions of the 16S rRNA of the bacterium Francisella tularensis. Nucleic acid molecular beacons undergo a spontaneous fluorogenic conformational change when they hybridize to specific complementary targets. The array was printed on aldehyde glass or hydrogel slides and evaluated for functioning in presence of complementary oligonucleotide sequences, single-nucleotide mismatch sequences and multiple nucleotide mismatch sequences. Discriminating true target from mismatched targets was found to be dependent on type, number, and location of mismatches within the beacon (i.e. located in the stem or loop regions). Optimal conditions for molecular beacon deposition, and target hybridization were determined for oligonucleotide target mismatch discrimination. The beacon array was stable upon recharging by exposure to an alkaline solution, and repeatedly used. In addition, performance of the beacon array biosensor was compared with molecular beacons in homogeneous solution.

  4. Computational Design of Intrinsic Molecular Rectifiers Based on Asymmetric Functionalization of N-Phenylbenzamide.

    PubMed

    Ding, Wendu; Koepf, Matthieu; Koenigsmann, Christopher; Batra, Arunabh; Venkataraman, Latha; Negre, Christian F A; Brudvig, Gary W; Crabtree, Robert H; Schmuttenmaer, Charles A; Batista, Victor S

    2015-12-01

    We report a systematic computational search of molecular frameworks for intrinsic rectification of electron transport. The screening of molecular rectifiers includes 52 molecules and conformers spanning over 9 series of structural motifs. N-Phenylbenzamide is found to be a promising framework with both suitable conductance and rectification properties. A targeted screening performed on 30 additional derivatives and conformers of N-phenylbenzamide yielded enhanced rectification based on asymmetric functionalization. We demonstrate that electron-donating substituent groups that maintain an asymmetric distribution of charge in the dominant transport channel (e.g., HOMO) enhance rectification by raising the channel closer to the Fermi level. These findings are particularly valuable for the design of molecular assemblies that could ensure directionality of electron transport in a wide range of applications, from molecular electronics to catalytic reactions.

  5. PRO_LIGAND: an approach to de novo molecular design. 6. Flexible fitting in the design of peptides.

    PubMed

    Murray, C W; Clark, D E; Byrne, D G

    1995-10-01

    This paper describes the further development of the functionality of our in-house de novo design program, PRO_LIGAND. In particular, attention is focused on the implementation and validation of the 'direct tweak' method for the construction of conformationally flexible molecules, such as peptides, from molecular fragments. This flexible fitting method is compared to the original method based on libraries of prestored conformations for each fragment. It is shown that the directed tweak method produces results of comparable quality, with significant time savings. By removing the need to generate a set of representative conformers for any new library fragment, the flexible fitting method increases the speed and simplicity with which new fragments can be included in a fragment library and also reduces the disk space required for library storage. A further improvement to the molecular construction process within PRO_LIGAND is the inclusion of a constrained minimisation procedure which relaxes fragments onto the design model and can be used to reject highly strained structures during the structure generation phase. This relaxation is shown to be very useful in simple test cases, but restricts diversity for more realistic examples. The advantages and disadvantages of these additions to the PRO_LIGAND methodology are illustrated by three examples: similar design to an alpha helix region of dihydrofolate reductase, complementary design to the active site of HIV-1 protease and similar design to an epitope region of lysozyme. PMID:8594156

  6. Molecular docking as a popular tool in drug design, an in silico travel.

    PubMed

    de Ruyck, Jerome; Brysbaert, Guillaume; Blossey, Ralf; Lensink, Marc F

    2016-01-01

    New molecular modeling approaches, driven by rapidly improving computational platforms, have allowed many success stories for the use of computer-assisted drug design in the discovery of new mechanism-or structure-based drugs. In this overview, we highlight three aspects of the use of molecular docking. First, we discuss the combination of molecular and quantum mechanics to investigate an unusual enzymatic mechanism of a flavoprotein. Second, we present recent advances in anti-infectious agents' synthesis driven by structural insights. At the end, we focus on larger biological complexes made by protein-protein interactions and discuss their relevance in drug design. This review provides information on how these large systems, even in the presence of the solvent, can be investigated with the outlook of drug discovery. PMID:27390530

  7. Molecular docking as a popular tool in drug design, an in silico travel

    PubMed Central

    de Ruyck, Jerome; Brysbaert, Guillaume; Blossey, Ralf; Lensink, Marc F

    2016-01-01

    New molecular modeling approaches, driven by rapidly improving computational platforms, have allowed many success stories for the use of computer-assisted drug design in the discovery of new mechanism-or structure-based drugs. In this overview, we highlight three aspects of the use of molecular docking. First, we discuss the combination of molecular and quantum mechanics to investigate an unusual enzymatic mechanism of a flavoprotein. Second, we present recent advances in anti-infectious agents’ synthesis driven by structural insights. At the end, we focus on larger biological complexes made by protein–protein interactions and discuss their relevance in drug design. This review provides information on how these large systems, even in the presence of the solvent, can be investigated with the outlook of drug discovery. PMID:27390530

  8. Molecular docking as a popular tool in drug design, an in silico travel.

    PubMed

    de Ruyck, Jerome; Brysbaert, Guillaume; Blossey, Ralf; Lensink, Marc F

    2016-01-01

    New molecular modeling approaches, driven by rapidly improving computational platforms, have allowed many success stories for the use of computer-assisted drug design in the discovery of new mechanism-or structure-based drugs. In this overview, we highlight three aspects of the use of molecular docking. First, we discuss the combination of molecular and quantum mechanics to investigate an unusual enzymatic mechanism of a flavoprotein. Second, we present recent advances in anti-infectious agents' synthesis driven by structural insights. At the end, we focus on larger biological complexes made by protein-protein interactions and discuss their relevance in drug design. This review provides information on how these large systems, even in the presence of the solvent, can be investigated with the outlook of drug discovery.

  9. Web-Supported Chemistry Education: Design of an Online Tutorial for Learning Molecular Symmetry

    ERIC Educational Resources Information Center

    Korkmaz, Ali; Harwood, William S.

    2004-01-01

    This paper describes our use of the ADDIE protocol to design and develop an interactive tutorial for students learning molecular symmetry operations and point groups. The tutorial provides a 3-D environment where students can examine molecules, structures, and symmetry elements. Most such tutorials are connected to courses or instructors in…

  10. Giant Atomic and Molecular Models and Other Lecture Demonstration Devices Designed for Concrete Operational Students.

    ERIC Educational Resources Information Center

    Battino, Rubin

    1983-01-01

    Describes the design, construction, and use of oversize lecture-demonstration atomic/molecular models. These models appeal to both concrete and formal operational students. Also describes construction and use of an "spdf" sandwich board and an experiment using attribute blocks. (JN)

  11. Molecular Docking of Enzyme Inhibitors: A Computational Tool for Structure-Based Drug Design

    ERIC Educational Resources Information Center

    Rudnitskaya, Aleksandra; Torok, Bela; Torok, Marianna

    2010-01-01

    Molecular docking is a frequently used method in structure-based rational drug design. It is used for evaluating the complex formation of small ligands with large biomolecules, predicting the strength of the bonding forces and finding the best geometrical arrangements. The major goal of this advanced undergraduate biochemistry laboratory exercise…

  12. An autonomous chemically fuelled small-molecule motor

    NASA Astrophysics Data System (ADS)

    Wilson, Miriam R.; Solà, Jordi; Carlone, Armando; Goldup, Stephen M.; Lebrasseur, Nathalie; Leigh, David A.

    2016-06-01

    Molecular machines are among the most complex of all functional molecules and lie at the heart of nearly every biological process. A number of synthetic small-molecule machines have been developed, including molecular muscles, synthesizers, pumps, walkers, transporters and light-driven and electrically driven rotary motors. However, although biological molecular motors are powered by chemical gradients or the hydrolysis of adenosine triphosphate (ATP), so far there are no synthetic small-molecule motors that can operate autonomously using chemical energy (that is, the components move with net directionality as long as a chemical fuel is present). Here we describe a system in which a small molecular ring (macrocycle) is continuously transported directionally around a cyclic molecular track when powered by irreversible reactions of a chemical fuel, 9-fluorenylmethoxycarbonyl chloride. Key to the design is that the rate of reaction of this fuel with reactive sites on the cyclic track is faster when the macrocycle is far from the reactive site than when it is near to it. We find that a bulky pyridine-based catalyst promotes carbonate-forming reactions that ratchet the displacement of the macrocycle away from the reactive sites on the track. Under reaction conditions where both attachment and cleavage of the 9-fluorenylmethoxycarbonyl groups occur through different processes, and the cleavage reaction occurs at a rate independent of macrocycle location, net directional rotation of the molecular motor continues for as long as unreacted fuel remains. We anticipate that autonomous chemically fuelled molecular motors will find application as engines in molecular nanotechnology.

  13. Motor efficiency management

    SciTech Connect

    Lobodovsky, K.K. , Penn Valley, CA )

    1994-01-01

    During the 102nd Congress, the Markey Bill, H.R. 2451, was introduced. The bill mandated component efficiency standards for such products as lighting, distribution transformers, and electric A.C. motors. This plan was met with opposition by NEMA and other interested groups. They called for a system approach that would recognize the complex nature of the product involved under the plan. The bill passed by the Energy Power Subcommittee on the theory that the elimination of the least efficient component from the market would ensure that consumers would purchase and use the most efficient products possible. Experience indicates that despite heightened awareness and concern with energy efficiency, the electric motor is either completely neglected or decisions are made on the basis of incomplete information. An on-going analysis of motor performance prevents major breakdown. Performance evaluation of a motor should be done as routinely as it is done on an employee. Both the motor and the employee are equally important. Applied motor maintenance will keep the building or plant running smoothly with minimal stress on the system or downtime because of failure. The Motor Performance Management Process (MPMP) is designed to be the Motor Manager's primary tool to evaluate, measure, and most importantly manage electric motors. MPMP focuses on building a stronger relationship between the Motor Manager and the electric motor employed to perform a task. Specifically, it is a logical, systematic, and structured approach to reduce energy waste. Energy waste reduction is fundamental in becoming more efficient in an increasingly competitive market. The implementation of MPMP is more than a good business practice it is an intelligent management resource.

  14. Computer-Aided Molecular Design of Bis-phosphine Oxide Lanthanide Extractants

    DOE PAGESBeta

    McCann, Billy W.; Silva, Nuwan De; Windus, Theresa L.; Gordon, Mark S.; Moyer, Bruce A.; Bryantsev, Vyacheslav S.; Hay, Benjamin P.

    2016-02-17

    Computer-aided molecular design and high-throughput screening of viable host architectures can significantly reduce the efforts in the design of novel ligands for efficient extraction of rare earth elements. This paper presents a computational approach to the deliberate design of bis-phosphine oxide host architectures that are structurally organized for complexation of trivalent lanthanides. Molecule building software, HostDesigner, was interfaced with molecular mechanics software, PCModel, providing a tool for generating and screening millions of potential R2(O)P-link-P(O)R2 ligand geometries. The molecular mechanics ranking of ligand structures is consistent with both the solution-phase free energies of complexation obtained with density functional theory and themore » performance of known bis-phosphine oxide extractants. For the case where link is -CH2-, evaluation of the ligand geometry provides the first characterization of a steric origin for the ‘anomalous aryl strengthening’ effect. The design approach has identified a number of novel bis-phosphine oxide ligands that are better organized for lanthanide complexation than previously studied examples.« less

  15. Computer-Aided Molecular Design of Bis-phosphine Oxide Lanthanide Extractants.

    PubMed

    McCann, Billy W; Silva, Nuwan De; Windus, Theresa L; Gordon, Mark S; Moyer, Bruce A; Bryantsev, Vyacheslav S; Hay, Benjamin P

    2016-06-20

    Computer-aided molecular design and high-throughput screening of viable host architectures can significantly reduce the efforts in the design of novel ligands for efficient extraction of rare earth elements. This paper presents a computational approach to the deliberate design of bis-phosphine oxide host architectures that are structurally organized for complexation of trivalent lanthanides. Molecule building software, HostDesigner, was interfaced with molecular mechanics software, PCModel, providing a tool for generating and screening millions of potential R2(O)P-link-P(O)R2 ligand geometries. The molecular mechanics ranking of ligand structures is consistent with both the solution-phase free energies of complexation obtained with density functional theory and the performance of known bis-phosphine oxide extractants. For the case where the link is -CH2-, evaluation of the ligand geometry provides the first characterization of a steric origin for the "anomalous aryl strengthening" effect. The design approach has identified a number of novel bis-phosphine oxide ligands that are better organized for lanthanide complexation than previously studied examples.

  16. Metal-organic Frameworks as A Tunable Platform for Designing Functional Molecular Materials

    PubMed Central

    Wang, Cheng; Liu, Demin

    2013-01-01

    Metal-organic frameworks (MOFs), also known as coordination polymers, represent an interesting class of crystalline molecular materials that are synthesized by combining metal-connecting points and bridging ligands. The modular nature of and mild conditions for MOF synthesis have permitted the rational structural design of numerous MOFs and the incorporation of various functionalities via constituent building blocks. The resulting designer MOFs have shown promise for applications in a number of areas, including gas storage/separation, nonlinear optics/ferroelectricity, catalysis, energy conversion/storage, chemical sensing, biomedical imaging, and drug delivery. The structure-property relationships of MOFs can also be readily established by taking advantage of the knowledge of their detailed atomic structures, which enables fine-tuning of their functionalities for desired applications. Through the combination of molecular synthesis and crystal engineering MOFs thus present an unprecedented opportunity for the rational and precise design of functional materials. PMID:23944646

  17. Characteristic analysis and design of a B14 rotary ultrasonic motor for a robot arm taking the contact mechanism into consideration.

    PubMed

    Rho, Jong-Seok; Oh, Kwang-Il; Kim, Hong-Seok; Jung, Hyun-Kyo

    2007-04-01

    The ultrasonic motor (USM) has many merits for use in a robot arm application. Therefore, the disk-type traveling wave B14 rotary ultrasonic motor (RUSM) is proposed in this paper for that application. Up to the present time, the analysis and design of the USM have been almost always performed using rough analytic methods or using commercial analysis tools. As a result, it was impossible to achieve an exact analysis and design of the USM. In order to address this problem, this paper proposes the analysis and design methodology of the B14 RUSM using a numerical method (3-D FEM) combined with an analytic method taking the contact mechanism into consideration in a linear operation. This methodology is applicable to many other kinds of USMs that use similar mechanisms. In addition, the mechanical system and the driving circuit of the B14 RUSM are designed and prototyped. Finally, the proposed analysis and design methodology is validated by comparing its outcomes with the experimental data. Also, the appropriateness of the suggested RUSM for the application of a robot arm was verified.

  18. Design Molecular Recognition Materials for Chiral Sensors, Separtations and Catalytic Materials

    SciTech Connect

    Jia, S.; Nenoff, T.M.; Provencio, P.; Qiu, Y.; Shelnutt, J.A.; Thoma, S.G.; Zhang, J.

    1998-11-01

    The goal is the development of materials that are highly sensitive and selective for chid chemicals and biochemical (such as insecticides, herbicides, proteins, and nerve agents) to be used as sensors, catalysts and separations membranes. Molecular modeling methods are being used to tailor chiral molecular recognition sites with high affinity and selectivity for specified agents. The work focuses on both silicate and non-silicate materials modified with chirally-pure fictional groups for the catalysis or separations of enantiomerically-pure molecules. Surfactant and quaternary amine templating is being used to synthesize porous frameworks, containing mesopores of 30 to 100 angstroms. Computer molecukw modeling methods are being used in the design of these materials, especially in the chid surface- modi~ing agents. Molecular modeling is also being used to predict the catalytic and separations selectivities of the modified mesoporous materials. The ability to design and synthesize tailored asymmetric molecular recognition sites for sensor coatings allows a broader range of chemicals to be sensed with the desired high sensitivity and selectivity. Initial experiments target the selective sensing of small molecule gases and non-toxic model neural compounds. Further efforts will address designing sensors that greatly extend the variety of resolvable chemical species and forming a predictive, model-based method for developing advanced sensors.

  19. 30 CFR 18.34 - Motors.

    Code of Federal Regulations, 2011 CFR

    2011-07-01

    ... 30 Mineral Resources 1 2011-07-01 2011-07-01 false Motors. 18.34 Section 18.34 Mineral Resources... PRODUCTS ELECTRIC MOTOR-DRIVEN MINE EQUIPMENT AND ACCESSORIES Construction and Design Requirements § 18.34 Motors. Explosion-proof electric motor assemblies intended for use in approved equipment in...

  20. 30 CFR 18.34 - Motors.

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... 30 Mineral Resources 1 2010-07-01 2010-07-01 false Motors. 18.34 Section 18.34 Mineral Resources... PRODUCTS ELECTRIC MOTOR-DRIVEN MINE EQUIPMENT AND ACCESSORIES Construction and Design Requirements § 18.34 Motors. Explosion-proof electric motor assemblies intended for use in approved equipment in...

  1. Rocket motor exhaust products generated by the space shuttle vehicle during its launch phase (1976 design data)

    NASA Technical Reports Server (NTRS)

    Bowyer, J. M.

    1977-01-01

    The principal chemical species emitted and/or entrained by the rocket motors of the space shuttle vehicle during the launch phase of its trajectory are considered. Results are presented for two extreme trajectories, both of which were calculated in 1976.

  2. Electronic structure of covalently linked zinc bacteriochlorin molecular arrays: insights into molecular design for NIR light harvesting.

    PubMed

    Shrestha, Kushal; González-Delgado, Jessica M; Blew, James H; Jakubikova, Elena

    2014-10-23

    Pigment-based molecular arrays, especially those based on porphyrins, have been extensively studied as viable components of artificial light harvesting devices. Unlike porphyrins, bacteriochlorins absorb strongly in the NIR, yet little is known of the applicability of covalently linked bacteriochlorin-based arrays in this arena. To lay the foundation for future studies of excited state properties of such arrays, we present a systematic study of the ground state electronic structure of zinc bacteriochlorin (ZnBC) molecular arrays with various linkers and linker attachment sites (meso vs β) employing density functional theory in combination with the energy-based fragmentation (EBF) method, and the EBF with molecular orbitals (EBF-MO) method. We find that the level of steric hindrance between the ZnBC and the linker is directly correlated with the amount of ground sate electronic interactions between the ZnBCs. Low steric hindrance between the ZnBC and the linker found in alkyne-linked arrays results in strongly interacting arrays that are characterized by a decrease in the HOMO-LUMO energy gaps, large orbital energy dispersion in the frontier region, and low ZnBC-linker rotational barriers. In contrast, sterically hindered linkers, such as aryl-based linkers, result in weakly interacting arrays characterized by increased orbital energy degeneracy in the frontier region and high ZnBC-linker rotational barriers. For all linkers studied, the level of steric hindrance decreases when the ZnBCs are linked at the β position. Hence, ZnBC arrays that exhibit strong, weak, or intermediate ground-state electronic interactions can be realized by adjusting the level of steric hindrance with a judicious choice of the linker type and linker attachment site. Such tuning may be essential for design of light harvesting arrays with desired spectral properties.

  3. Remote control of myosin and kinesin motors using light-activated gearshifting.

    PubMed

    Nakamura, Muneaki; Chen, Lu; Howes, Stuart C; Schindler, Tony D; Nogales, Eva; Bryant, Zev

    2014-09-01

    Cytoskeletal motors perform critical force generation and transport functions in eukaryotic cells. Engineered modifications of motor function provide direct tests of protein structure-function relationships and potential tools for controlling cellular processes or for harnessing molecular transport in artificial systems. Here, we report the design and characterization of a panel of cytoskeletal motors that reversibly change gears--speed up, slow down or switch directions--when exposed to blue light. Our genetically encoded structural designs incorporate a photoactive protein domain to enable light-dependent conformational changes in an engineered lever arm. Using in vitro motility assays, we demonstrate robust spatiotemporal control over motor function and characterize the kinetics of the optical gearshifting mechanism. We have used a modular approach to create optical gearshifting motors for both actin-based and microtubule-based transport.

  4. Remote control of myosin and kinesin motors using light-activated gearshifting.

    PubMed

    Nakamura, Muneaki; Chen, Lu; Howes, Stuart C; Schindler, Tony D; Nogales, Eva; Bryant, Zev

    2014-09-01

    Cytoskeletal motors perform critical force generation and transport functions in eukaryotic cells. Engineered modifications of motor function provide direct tests of protein structure-function relationships and potential tools for controlling cellular processes or for harnessing molecular transport in artificial systems. Here, we report the design and characterization of a panel of cytoskeletal motors that reversibly change gears--speed up, slow down or switch directions--when exposed to blue light. Our genetically encoded structural designs incorporate a photoactive protein domain to enable light-dependent conformational changes in an engineered lever arm. Using in vitro motility assays, we demonstrate robust spatiotemporal control over motor function and characterize the kinetics of the optical gearshifting mechanism. We have used a modular approach to create optical gearshifting motors for both actin-based and microtubule-based transport. PMID:25086603

  5. Remote control of myosin and kinesin motors using light-activated gearshifting

    PubMed Central

    Nakamura, Muneaki; Chen, Lu; Howes, Stuart C.; Schindler, Tony D.; Nogales, Eva

    2015-01-01

    Cytoskeletal motors perform critical force generation and transport functions in eukaryotic cells1,2. Engineered modifications of motor function provide direct tests of protein structure-function relationships and potential tools for controlling cellular processes or for harnessing molecular transport in artificial systems3,4. Here, we report the design and characterization of a panel of cytoskeletal motors that reversibly change gears—speed up, slow down or switch directions—when exposed to blue light. Our genetically encoded structural designs incorporate a photoactive protein domain to enable light-dependent conformational changes in an engineered lever arm. Using in vitro motility assays, we demonstrate robust spatiotemporal control over motor function and characterize the kinetics of the optical gearshifting mechanism. We have used a modular approach to create optical gearshifting motors for both actin-based and microtubule-based transport. PMID:25086603

  6. ISRO's solid rocket motors

    NASA Astrophysics Data System (ADS)

    Nagappa, R.; Kurup, M. R.; Muthunayagam, A. E.

    1989-08-01

    Solid rocket motors have been the mainstay of ISRO's sounding rockets and the first generation satellite launch vehicles. For the new launch vehicle under development also, the solid rocket motors contribute significantly to the vehicle's total propulsive power. The rocket motors in use and under development have been developed for a variety of applications and range in size from 30 mm dia employing 450 g of solid propellant—employed for providing a spin to the apogee motors—to the giant 2.8 m dia motor employing nearly 130 tonnes of solid propellant. The initial development, undertaken in 1967 was of small calibre motor of 75 mm dia using a double base charge. The development was essentially to understand the technological elements. Extruded aluminium tubes were used as a rocket motor casing. The fore and aft closures were machined from aluminium rods. The grain was a seven-pointed star with an enlargement of the port at the aft end and was charged into the chamber using a polyester resin system. The nozzle was a metallic heat sink type with graphite throat insert. The motor was ignited with a black powder charge and fired for 2.0 s. Subsequent to this, further developmental activities were undertaken using PVC plastisol based propellants. A class of sounding rockets ranging from 125 to 560 mm calibre were realized. These rocket motors employed improved designs and had delivered lsp ranging from 2060 to 2256 Ns/kg. Case bonding could not be adopted due to the higher cure temperatures of the plastisol propellants but improvements were made in the grain charging techniques and in the design of the igniters and the nozzle. Ablative nozzles based on asbestos phenolic and silica phenolic with graphite inserts were used. For the larger calibre rocket motors, the lsp could be improved by metallic additives. In the early 1970s designs were evolved for larger and more efficient motors. A series of 4 motors for the country's first satellite launch vehicle SLV-3 were

  7. The design and evaluation of a peripheral device for use with a computer game intended for children with motor disabilities.

    PubMed

    Scardovelli, Terigi Augusto; Frère, Annie France

    2015-01-01

    Many children with motor impairments cannot participate in games and jokes that contribute to their formation. Currently, commercial computer games there are few options of software and sufficiently flexible access devices to meet the needs of this group of children. In this study, a peripheral access device and a 3D computerized game that do not require the actions of dragging, clicking, or activating various keys at the same time were developed. The peripheral access device consists of a webcam and a supervisory system that processes the images. This method provides a field of action that can be adjusted to various types of motor impairments. To analyze the sensitivity of the commands, a virtual course was developed using the scenario of a path of straight lines and curves. A volunteer with good ability in virtual games performed a short training with the virtual course and, after 15min of training, obtained similar results with a standard keyboard and the adapted peripheral device. A 3D game in the Amazon forest was developed using the Blender 3D tool. This free software was used to model the characters and scenarios. To evaluate the usability of the 3D game, the game was tested by 20 volunteers without motor impairments (group A) and 13 volunteers with severe motor limitations of the upper limbs (group B). All the volunteers (group A and B) could easily execute all the actions of the game using the adapted peripheral device. The majority positively evaluated the questions of usability and expressed their satisfaction. The computerized game coupled to the adapted device will offer the option of leisure and learning to people with severe motor impairments who previously lacked this possibility. It also provided equality in this activity to all the users. PMID:25459524

  8. Structure-based de novo design, molecular docking and molecular dynamics of primaquine analogues acting as quinone reductase II inhibitors.

    PubMed

    Murce, Erika; Cuya-Guizado, Teobaldo Ricardo; Padilla-Chavarria, Helmut Isaac; França, Tanos Celmar Costa; Pimentel, Andre Silva

    2015-11-01

    Primaquine is a traditional antimalarial drug with low parasitic resistance and generally good acceptance at higher doses, which has been used for over 60 years in malaria treatment. However, several limitations related to its hematotoxicity have been reported. It is believed that this toxicity comes from the hydroxylation of the C-5 and C-6 positions of its 8-aminoquinoline ring before binding to the molecular target: the quinone reductase II (NQO2) human protein. In this study we propose primaquine derivatives, with substitution at position C-6 of the 8-aminoquinoline ring, planned to have better binding to NQO2, compared to primaquine, but with a reduced toxicity related to the C-5 position being possible to be oxidized. On this sense the proposed analogues were suggested in order to reduce or inhibit hydroxylation and further oxidation to hemotoxic metabolites. Five C-6 substituted primaquine analogues were selected by de novo design and further submitted to docking and molecular dynamics simulations. Our results suggest that all analogues bind better to NQO2 than primaquine and may become better antimalarials. However, the analogues 3 and 4 are predicted to have a better activity/toxicity balance.

  9. Role of aromatic rings in the molecular recognition of aminoglycoside antibiotics: implications for drug design.

    PubMed

    Vacas, Tatiana; Corzana, Francisco; Jiménez-Osés, Gonzalo; González, Carlos; Gómez, Ana M; Bastida, Agatha; Revuelta, Julia; Asensio, Juan Luis

    2010-09-01

    Aminoglycoside antibiotics participate in a large variety of binding processes involving both RNA and proteins. The description, in recent years, of several clinically relevant aminoglycoside/receptor complexes has greatly stimulated the structural-based design of new bioactive derivatives. Unfortunately, design efforts have frequently met with limited success, reflecting our incomplete understanding of the molecular determinants for the antibiotic recognition. Intriguingly, aromatic rings of the protein/RNA receptors seem to be key actors in this process. Indeed, close inspection of the structural information available reveals that they are frequently involved in CH/pi stacking interactions with sugar/aminocyclitol rings of the antibiotic. While the interaction between neutral carbohydrates and aromatic rings has been studied in detail during past decade, little is known about these contacts when they involve densely charged glycosides. Herein we report a detailed experimental and theoretical analysis of the role played by CH/pi stacking interactions in the molecular recognition of aminoglycosides. Our study aims to determine the influence that the antibiotic polycationic character has on the stability, preferred geometry, and dynamics of these particular contacts. With this purpose, different aminoglycoside/aromatic complexes have been selected as model systems. They varied from simple bimolecular interactions to the more stable intramolecular CH/pi contacts present in designed derivatives. The obtained results highlight the key role played by electrostatic forces and the desolvation of charged groups in the molecular recognition of polycationic glycosides and have clear implications for the design of improved antibiotics.

  10. Reducing aquatic hazards of industrial chemicals: probabilistic assessment of sustainable molecular design guidelines.

    PubMed

    Connors, Kristin A; Voutchkova-Kostal, Adelina M; Kostal, Jakub; Anastas, Paul; Zimmerman, Julie B; Brooks, Bryan W

    2014-08-01

    Basic toxicological information is lacking for the majority of industrial chemicals. In addition to increasing empirical toxicity data through additional testing, prospective computational approaches to drug development aim to serve as a rational basis for the design of chemicals with reduced toxicity. Recent work has resulted in the derivation of a "rule of 2," wherein chemicals with an octanol-water partition coefficient (log P) less than 2 and a difference between the lowest unoccupied molecular orbital and the highest occupied molecular orbital (ΔE) greater than 9 (log P<2 and ΔE >9 eV) are predicted to be 4 to 5 times less likely to elicit acute or chronic toxicity to model aquatic organisms. The present study examines potential reduction of aquatic toxicity hazards from industrial chemicals if these 2 molecular design guidelines were employed. Probabilistic hazard assessment approaches were used to model the likelihood of encountering industrial chemicals exceeding toxicological categories of concern both with and without the rule of 2. Modeling predicted that utilization of these molecular design guidelines for log P and ΔE would appreciably decrease the number of chemicals that would be designated to be of "high" and "very high" concern for acute and chronic toxicity to standard model aquatic organisms and end points as defined by the US Environmental Protection Agency. For example, 14.5% of chemicals were categorized as having high and very high acute toxicity to the fathead minnow model, whereas only 3.3% of chemicals conforming to the design guidelines were predicted to be in these categories. Considerations of specific chemical classes (e.g., aldehydes), chemical attributes (e.g., ionization), and adverse outcome pathways in representative species (e.g., receptor-mediated responses) could be used to derive future property guidelines for broader classes of contaminants.

  11. Fibrin-based biomaterials: Modulation of macroscopic properties through rational design at the molecular level

    PubMed Central

    Brown, Ashley C.; Barker, Thomas H.

    2013-01-01

    Fibrinogen is one of the primary components of the coagulation cascade and rapidly forms an insoluble matrix following tissue injury. In addition to its important role in hemostasis, fibrin acts as a scaffold for tissue repair and provides important cues for directing cell phenotype following injury. Because of these properties and the ease of polymerization of the material, fibrin has been widely utilized as a biomaterial for over a century. Modifying the macroscopic properties of fibrin, such as elasticity and porosity, has been somewhat elusive until recently, yet with a molecular-level rational design approach can now be somewhat easily modified through alterations of molecular interactions key to the protein’s polymerization process. This review outlines the biochemistry of fibrin and discusses methods for modification of molecular interactions and their application to fibrin based biomaterials. PMID:24056097

  12. DESIGN AND EXPERIENCE WITH THE WS/HS ASSEMBLY MOVEMENT USING LABVIEW VIS, NATIONAL INSTRUMENT MOTION CONTROLLERS, AND COMPUMOTOR ELECTRONIC DRIVE UNITS AND MOTORS

    SciTech Connect

    D.S. BARR; L.A. DAY; ET AL

    2001-06-01

    The Low-Energy Demonstration Accelerator (LEDA), designed and built at the Los Alamos National Laboratory, is part of the Accelerator Production of Tritium (APT) program and provides a platform for measuring high-power proton beam-halo formation. The technique used for measuring the beam halo employs nine combination Wire Scanner and Halo Scraper (WS/HS) devices. This paper will focus on the experience gained in the use of National Instrument (NI) LabVIEW VIs and motion controllers, and Compumotor electronic drive units and motors. The base configuration couples a Compumotor motor driven by a Parker-Hannifin Gemini GT Drive unit. The drive unit is controlled by a NI PXI-7344 controller card, which in turn is controlled by a PC running custom built NI LabVIEW VIs. The function of the control VI's is to interpret instructions from the main control system, the Experimental Physics and Industrial Control System (EPICS), and carry out the corresponding motion commands. The main control VI has to run all nineteen WS/HS motor axes used in the accelerator. A basic discussion of the main accelerator control system, EPICs which is hosted on a VXI platform, and its interface with the PC based LabVIEW motion control software will be included.

  13. Molecular design toward highly efficient photovoltaic polymers based on two-dimensional conjugated benzodithiophene.

    PubMed

    Ye, Long; Zhang, Shaoqing; Huo, Lijun; Zhang, Maojie; Hou, Jianhui

    2014-05-20

    As researchers continue to develop new organic materials for solar cells, benzo[1,2-b:4,5-b']dithiophene (BDT)-based polymers have come to the fore. To improve the photovoltaic properties of BDT-based polymers, researchers have developed and applied various strategies leading to the successful molecular design of highly efficient photovoltaic polymers. Novel polymer materials composed of two-dimensional conjugated BDT (2D-conjugated BDT) have boosted the power conversion efficiency of polymer solar cells (PSCs) to levels that exceed 9%. In this Account, we summarize recent progress related to the design and synthesis of 2D-conjugated BDT-based polymers and discuss their applications in highly efficient photovoltaic devices. We introduce the basic considerations for the construction of 2D-conjugated BDT-based polymers and systematic molecular design guidelines. For example, simply modifying an alkoxyl-substituted BDT to form an alkylthienyl-substituted BDT can improve the polymer hole mobilities substantially with little effect on their molecular energy level. Secondly, the addition of a variety of chemical moieties to the polymer can produce a 2D-conjugated BDT unit with more functions. For example, the introduction of a conjugated side chain with electron deficient groups (such as para-alkyl-phenyl, meta-alkoxyl-phenyl, and 2-alkyl-3-fluoro-thienyl) allowed us to modulate the molecular energy levels of 2D-conjugated BDT-based polymers. Through the rational design of BDT analogues such as dithienobenzodithiophene (DTBDT) or the insertion of larger π bridges, we can tune the backbone conformations of these polymers and modulate their photovoltaic properties. We also discuss the influence of 2D-conjugated BDT on polymer morphology and the blends of these polymers with phenyl-C61 (or C71)-butyric acid methyl ester (PCBM). Finally, we summarize the various applications of the 2D-conjugated BDT-based polymers in highly efficient PSC devices. Overall, this Account

  14. Molecular modeling and computer aided drug design. Examples of their applications in medicinal chemistry.

    PubMed

    Ooms, F

    2000-02-01

    The development of new drugs with potential therapeutic applications is one of the most complex and difficult process in the pharmaceutical industry. Millions of dollars and man-hours are devoted to the discovery of new therapeutical agents. As, the activity of a drug is the result of a multitude of factors such as bioavailability, toxicity and metabolism, rational drug design has been utopias for centuries. Very recently, impressive technological advances in areas such as structural characterization of biomacromolecules, computer sciences and molecular biology have made rational drug design feasible. The aim of this review is to give an outline of studies in the field of medicinal chemistry in which molecular modeling has helped in the discovery process of new drugs. The emphasis will be on lead generation and optimization.

  15. Liquid-Phase Exfoliation of Phosphorene: Design Rules from Molecular Dynamics Simulations.

    PubMed

    Sresht, Vishnu; Pádua, Agílio A H; Blankschtein, Daniel

    2015-08-25

    The liquid-phase exfoliation of phosphorene, the two-dimensional derivative of black phosphorus, in the solvents dimethyl sulfoxide (DMSO), dimethylformamide (DMF), isopropyl alcohol, N-methyl-2-pyrrolidone, and N-cyclohexyl-2-pyrrolidone is investigated using three molecular-scale "computer experiments". We modeled solvent-phosphorene interactions using an atomistic force field, based on ab initio calculations and lattice dynamics, that accurately reproduces experimental mechanical properties. We probed solvent molecule ordering at phosphorene/solvent interfaces and discovered that planar molecules such as N-methyl-2-pyrrolidone preferentially orient parallel to the interface. We subsequently measured the energy required to peel a single phosphorene monolayer from a stack of black phosphorus and analyzed the role of "wedges" of solvent molecules intercalating between phosphorene sheets in initiating exfoliation. The exfoliation efficacy of a solvent is enhanced when either molecular planarity "sharpens" this molecular wedge or strong phosphorene-solvent adhesion stabilizes the newly exposed phosphorene surfaces. Finally, we examined the colloidal stability of exfoliated flakes by simulating their aggregation and showed that dispersion is favored when the cohesive energy between the molecules in the solvent monolayer confined between the phosphorene sheets is high (as with DMSO) and is hindered when the adhesion between these molecules and phosphorene is strong; the molecular planarity in solvents like DMF enhances the cohesive energy. Our results are consistent with, and provide a molecular context for, experimental exfoliation studies of phosphorene and other layered solids, and our molecular insights into the significant role of solvent molecular geometry and ordering should complement prevalent solubility-parameter-based approaches in establishing design rules for effective nanomaterial exfoliation media.

  16. Liquid-Phase Exfoliation of Phosphorene: Design Rules from Molecular Dynamics Simulations.

    PubMed

    Sresht, Vishnu; Pádua, Agílio A H; Blankschtein, Daniel

    2015-08-25

    The liquid-phase exfoliation of phosphorene, the two-dimensional derivative of black phosphorus, in the solvents dimethyl sulfoxide (DMSO), dimethylformamide (DMF), isopropyl alcohol, N-methyl-2-pyrrolidone, and N-cyclohexyl-2-pyrrolidone is investigated using three molecular-scale "computer experiments". We modeled solvent-phosphorene interactions using an atomistic force field, based on ab initio calculations and lattice dynamics, that accurately reproduces experimental mechanical properties. We probed solvent molecule ordering at phosphorene/solvent interfaces and discovered that planar molecules such as N-methyl-2-pyrrolidone preferentially orient parallel to the interface. We subsequently measured the energy required to peel a single phosphorene monolayer from a stack of black phosphorus and analyzed the role of "wedges" of solvent molecules intercalating between phosphorene sheets in initiating exfoliation. The exfoliation efficacy of a solvent is enhanced when either molecular planarity "sharpens" this molecular wedge or strong phosphorene-solvent adhesion stabilizes the newly exposed phosphorene surfaces. Finally, we examined the colloidal stability of exfoliated flakes by simulating their aggregation and showed that dispersion is favored when the cohesive energy between the molecules in the solvent monolayer confined between the phosphorene sheets is high (as with DMSO) and is hindered when the adhesion between these molecules and phosphorene is strong; the molecular planarity in solvents like DMF enhances the cohesive energy. Our results are consistent with, and provide a molecular context for, experimental exfoliation studies of phosphorene and other layered solids, and our molecular insights into the significant role of solvent molecular geometry and ordering should complement prevalent solubility-parameter-based approaches in establishing design rules for effective nanomaterial exfoliation media. PMID:26192620

  17. Potential human cholesterol esterase inhibitor design: benefits from the molecular dynamics simulations and pharmacophore modeling studies.

    PubMed

    John, Shalini; Thangapandian, Sundarapandian; Lee, Keun Woo

    2012-01-01

    Human pancreatic cholesterol esterase (hCEase) is one of the lipases found to involve in the digestion of large and broad spectrum of substrates including triglycerides, phospholipids, cholesteryl esters, etc. The presence of bile salts is found to be very important for the activation of hCEase. Molecular dynamic simulations were performed for the apoform and bile salt complexed form of hCEase using the co-ordinates of two bile salts from bovine CEase. The stability of the systems throughout the simulation time was checked and two representative structures from the highly populated regions were selected using cluster analysis. These two representative structures were used in pharmacophore model generation. The generated pharmacophore models were validated and used in database screening. The screened hits were refined for their drug-like properties based on Lipinski's rule of five and ADMET properties. The drug-like compounds were further refined by molecular docking simulation using GOLD program based on the GOLD fitness score, mode of binding, and molecular interactions with the active site amino acids. Finally, three hits of novel scaffolds were selected as potential leads to be used in novel and potent hCEase inhibitor design. The stability of binding modes and molecular interactions of these final hits were re-assured by molecular dynamics simulations. PMID:22292952

  18. Molecular design of seed storage proteins for enhanced food physicochemical properties.

    PubMed

    Tandang-Silvas, Mary Rose G; Tecson-Mendoza, Evelyn Mae; Mikami, Bunzo; Utsumi, Shigeru; Maruyama, Nobuyuki

    2011-01-01

    Seed storage proteins such as soybean globulins have been nutritionally and functionally valuable in the food industry. Protein structure-function studies are valuable in modifying proteins for enhanced functionality. Recombinant technology and protein engineering are two of the tools in biotechnology that have been used in producing soybean proteins with better gelling property, solubility, and emulsifying ability. This article reviews the molecular basis for the logical and precise protein designs that are important in obtaining the desired improved physicochemical properties.

  19. Metalloporphyrin catalysts for oxygen reduction developed using computer-aided molecular design

    SciTech Connect

    Ryba, G.N.; Hobbs, J.D.; Shelnutt, J.A.

    1996-04-01

    The objective of this project is the development of a new class of metalloporphyrin materials used as catalsyts for use in fuel cell applications. The metalloporphyrins are excellent candidates for use as catalysts at both the anode and cathode. The catalysts reduce oxygen in 1 M potassium hydroxide, as well as in 2 M sulfuric acid. Covalent attachment to carbon supports is being investigated. The computer-aided molecular design is an iterative process, in which experimental results feed back into the design of future catalysts.

  20. Structural informatics, modeling and design with an open-source Molecular Software Library (MSL)

    PubMed Central

    Kulp, Daniel W.; Subramaniam, Sabareesh; Donald, Jason E.; Hannigan, Brett T.; Mueller, Benjamin K.; Grigoryan, Gevorg; Senes, Alessandro

    2012-01-01

    We present the Molecular Software Library (MSL), a C++ library for molecular modeling. MSL is a set of tools that supports a large variety of algorithms for the design, modeling and analysis of macromolecules. Among the main features supported by the library are methods for applying geometric transformations and alignments, the implementation of a rich set of energy functions, side chain optimization, backbone manipulation, calculation of Solvent Accessible Surface Area (SASA) and other tools. MSL has a number of unique features, such as the ability of storing alternative atomic coordinates (for modeling) and multiple amino acid identities at the same backbone position (for design). It has a straightforward mechanism for extending its energy functions and can work with any type of molecules. While the code base is large, MSL was created with ease of developing in mind. It allows the rapid implementation of simple tasks while fully supporting the creation of complex applications. Some of the potentialities of the software are demonstrated here with examples that show how to program complex and essential modeling tasks with few lines of code. MSL is an ongoing and evolving project, with new features and improvements being introduced regularly, but it is mature and suitable for production and has been used in numerous protein modeling and design projects. MSL is open source software, freely downloadable at http://msl-libraries.org. We propose it as a common platform for the development of new molecular algorithms, and to promote the distribution, sharing and reutilization of computational methods. PMID:22565567