Evaluation of synthetic linear motor-molecule actuation energetics.
Ontology highlight
ABSTRACT:
SUBMITTER: Brough B
PROVIDER: S-EPMC1482623 | biostudies-literature | 2006 Jun
REPOSITORIES: biostudies-literature
Publications
Evaluation of synthetic linear motor-molecule actuation energetics.
Brough Branden B Northrop Brian H BH Schmidt Jacob J JJ Tseng Hsian-Rong HR Houk Kendall N KN Stoddart J Fraser JF Ho Chih-Ming CM
Proceedings of the National Academy of Sciences of the United States of America 20060530 23
By applying atomic force microscope (AFM)-based force spectroscopy together with computational modeling in the form of molecular force-field simulations, we have determined quantitatively the actuation energetics of a synthetic motor-molecule. This multidisciplinary approach was performed on specifically designed, bistable, redox-controllable [2]rotaxanes to probe the steric and electrostatic interactions that dictate their mechanical switching at the single-molecule level. The fusion of experim ...[more]
Similar Datasets
Project description:Molecular motors and machines are essential for all cellular processes that together enable life. Built from proteins with a wide range of properties, functionalities and performance characteristics, biological motors perform complex tasks and can transduce chemical energy into mechanical work more efficiently than human-made combustion engines. Sophisticated studies of biological protein motors have provided many structural and biophysical insights and enabled the development of models for motor function. However, from the study of highly evolved, biological motors, it remains difficult to discern detailed mechanisms, for example, about the relative role of different force generation mechanisms, or how information is communicated across a protein to achieve the necessary coordination. A promising, complementary approach to answering these questions is to build synthetic protein motors from the bottom up. Indeed, much effort has been invested in functional protein design, but so far, the "holy grail" of designing and building a functional synthetic protein motor has not been realized. Here, we review the progress made to date, and we put forward a roadmap for achieving the aim of constructing the first artificial, autonomously running protein motor. Specifically, we propose to break down the task into (i) enzymatic control of track binding, (ii) the engineering of asymmetry and (iii) the engineering of allosteric control for internal communication. We also propose specific approaches for solving each of these challenges.
| S-EPMC7429643 | biostudies-literature
Project description:We have designed and tested experimentally a morphing structure consisting of a neutrally stable thin cylindrical shell driven by a multi-parameter piezoelectric actuation. The shell is obtained by plastically deforming an initially flat copper disc, so as to induce large isotropic and almost uniform inelastic curvatures. Following the plastic deformation, in a perfectly isotropic system, the shell is theoretically neutrally stable, having a continuous set of stable cylindrical shapes corresponding to the rotation of the axis of maximal curvature. Small imperfections render the actual structure bistable, giving preferred orientations. A three-parameter piezoelectric actuation, exerted through micro-fibre-composite actuators, allows us to add a small perturbation to the plastic inelastic curvature and to control the direction of maximal curvature. This actuation law is designed through a geometrical analogy based on a fully nonlinear inextensible uniform-curvature shell model. We report on the fabrication, identification and experimental testing of a prototype and demonstrate the effectiveness of the piezoelectric actuators in controlling its shape. The resulting motion is an apparent rotation of the shell, controlled by the voltages as in a 'gear-less motor', which is, in reality, a precession of the axis of principal curvature.
| S-EPMC5582190 | biostudies-literature
Project description:Amorphous calcium carbonate (ACC) is a metastable phase often observed during low temperature inorganic synthesis and biomineralization. ACC transforms with aging or heating into a less hydrated form, and with time crystallizes to calcite or aragonite. The energetics of transformation and crystallization of synthetic and biogenic (extracted from California purple sea urchin larval spicules, Strongylocentrotus purpuratus) ACC were studied using isothermal acid solution calorimetry and differential scanning calorimetry. Transformation and crystallization of ACC can follow an energetically downhill sequence: more metastable hydrated ACC ? less metastable hydrated ACC ? anhydrous ACC ? biogenic anhydrous ACC ? vaterite ? aragonite ? calcite. In a given reaction sequence, not all these phases need to occur. The transformations involve a series of ordering, dehydration, and crystallization processes, each lowering the enthalpy (and free energy) of the system, with crystallization of the dehydrated amorphous material lowering the enthalpy the most. ACC is much more metastable with respect to calcite than the crystalline polymorphs vaterite or aragonite. The anhydrous ACC is less metastable than the hydrated, implying that the structural reorganization during dehydration is exothermic and irreversible. Dehydrated synthetic and anhydrous biogenic ACC are similar in enthalpy. The transformation sequence observed in biomineralization could be mainly energetically driven; the first phase deposited is hydrated ACC, which then converts to anhydrous ACC, and finally crystallizes to calcite. The initial formation of ACC may be a first step in the precipitation of calcite under a wide variety of conditions, including geological CO(2) sequestration.
| S-EPMC2944757 | biostudies-literature
Project description:Linear actuators based on polypyrrole (PPy) are envisaged to have only one ion that triggers the actuation direction, either at oxidation (anion-driven) or at reduction (cation-driven). PPy doped with dodecylbenzenesulfonate (PPy/DBS) is the most common applied conducting polymer having cation-driven actuation in aqueous solvent and mainly anion-driven actuation in an organic electrolyte. It is somehow desired to have an actuator that is independent of the applied solvent in the same actuation direction. In this research we made PPy/DBS with the addition of phosphorus tungsten acid, forming PPyPT films, as well with included carbide derived carbon (CDC) resulting in PPyCDC films. The solvent in electropolymerization was changed from an aqueous ethylene glycol mixture to pure EG forming PPyPT-EG and PPyCDC-EG composites. Our goal in this study was to investigate the linear actuation properties of PPy composites applying sodium perchlorate in aqueous (NaClO4-aq) and propylene carbonate (NaClO4-PC) electrolytes. Cyclic voltammetry and square potential steps in combination with electro-chemo-mechanical-deformation (ECMD) measurements of PPy composite films were performed. The PPyPT and PPyCDC had mixed ion-actuation in NaClO4-PC while in NaClO4-aq expansion at reduction (cation-driven) was observed. Those novel PPy composites electropolymerized in EG solvent showed independently which solvent applied mainly expansion at reduction (cation-driven actuator). Chronopotentiometric measurements were performed on all composites, revealing excellent specific capacitance up to 190 F g-1 for PPyCDC-EG (best capacitance retention of 90 % after 1000 cycles) and 130 F g-1 for PPyPT-EG in aqueous electrolyte. The films were characterized by scanning electron microscopy (SEM), Raman, Fourier-transform infrared (FTIR) and energy dispersive X-ray spectroscopy (EDX).
| S-EPMC8585407 | biostudies-literature
Project description:Three-dimensional organized unidirectionally aligned and responsive supramolecular structures have much potential in adaptive materials ranging from biomedical components to soft actuator systems. However, to control the supramolecular structure of these stimuli responsive, for example photoactive, materials and control their actuation remains a major challenge. Toward the design of "artificial muscles", herein, we demonstrate an approach that allows hierarchical control of the supramolecular structure, and as a consequence its photoactuation function, by electrostatic interaction between motor amphiphiles (MA) and counterions. Detailed insight into the effect of various ions on structural parameters for self-assembly from nano- to micrometer scale in water including nanofiber formation and nanofiber aggregation as well as the packing structure, degree of alignment, and actuation speed of the macroscopic MA strings prepared from various metal chlorides solution, as determined by electronic microscopy, X-ray diffraction, and actuation speed measurements, is presented. Macroscopic MA strings prepared from calcium and magnesium ions provide a high degree of alignment and fast response photoactuation. By the selection of metal ions and chain length of MAs, the macroscopic MA string structure and function can be controlled, demonstrating the potential of generating multiple photoresponsive supramolecular systems from an identical molecular structure.
| S-EPMC6302472 | biostudies-literature
Project description:Macromolecular diffusion in homogeneous fluid at length scales greater than the size of the molecule is regarded as a random process. The mean-squared displacement (MSD) of molecules in this regime increases linearly with time. Here we show that non-random motion of DNA molecules in this regime that is undetectable by the MSD analysis can be quantified by characterizing the molecular motion relative to a latticed frame of reference. Our lattice occupancy analysis reveals unexpected sub-modes of motion of DNA that deviate from expected random motion in the linear, diffusive regime. We demonstrate that a subtle interplay between these sub-modes causes the overall diffusive motion of DNA to appear to conform to the linear regime. Our results show that apparently random motion of macromolecules could be governed by non-random dynamics that are detectable only by their relative motion. Our analytical approach should advance broad understanding of diffusion processes of fundamental relevance.
| S-EPMC5467176 | biostudies-literature
Project description:The proprotein convertases are believed to be responsible for the proteolytic maturation of a large number of peptide hormone precursors. Although potent furin inhibitors have been identified, thus far, no small-molecule prohormone convertase 1/3 or prohormone convertase 2 (PC2) inhibitors have been described. After screening 38 small-molecule positional scanning libraries against recombinant mouse PC2, two promising chemical scaffolds were identified: bicyclic guanidines, and pyrrolidine bis-piperazines. A set of individual compounds was designed from each library and tested against PC2. Pyrrolidine bis-piperazines were irreversible, time-dependent inhibitors of PC2, exhibiting noncompetitive inhibition kinetics; the most potent inhibitor exhibited a K(i) value for PC2 of 0.54 microM. In contrast, the most potent bicyclic guanidine inhibitor exhibited a K(i) value of 3.3 microM. Cross-reactivity with other convertases was limited: pyrrolidine bis-piperazines exhibited K(i) values greater than 25 microM for PC1/3 or furin, whereas the K(i) values of bicyclic guanidines for these other convertases were more than 15 microM. We conclude that pyrrolidine bis-piperazines and bicyclic guanidines represent promising initial leads for the optimization of therapeutically active PC2 inhibitors. PC2-specific inhibitors may be useful in the pharmacological blockade of PC2-dependent cleavage events, such as glucagon production in the pancreas and ectopic peptide production in small-cell carcinoma, and to study PC2-dependent proteolytic events, such as opioid peptide production.
| S-EPMC2684913 | biostudies-other
Project description:The common spatial pattern (CSP) and other spatiospectral feature extraction methods have become the most effective and successful approaches to solve the problem of motor imagery electroencephalography (MI-EEG) pattern recognition from multichannel neural activity in recent years. However, these methods need a lot of preprocessing and postprocessing such as filtering, demean, and spatiospectral feature fusion, which influence the classification accuracy easily. In this paper, we utilize linear dynamical systems (LDSs) for EEG signals feature extraction and classification. LDSs model has lots of advantages such as simultaneous spatial and temporal feature matrix generation, free of preprocessing or postprocessing, and low cost. Furthermore, a low-rank matrix decomposition approach is introduced to get rid of noise and resting state component in order to improve the robustness of the system. Then, we propose a low-rank LDSs algorithm to decompose feature subspace of LDSs on finite Grassmannian and obtain a better performance. Extensive experiments are carried out on public dataset from "BCI Competition III Dataset IVa" and "BCI Competition IV Database 2a." The results show that our proposed three methods yield higher accuracies compared with prevailing approaches such as CSP and CSSP.
| S-EPMC5210283 | biostudies-literature
Project description:Arbitrary linear transformations are of crucial importance in a plethora of photonic applications spanning classical signal processing, communication systems, quantum information processing and machine learning. Here, we present a photonic architecture to achieve arbitrary linear transformations by harnessing the synthetic frequency dimension of photons. Our structure consists of dynamically modulated micro-ring resonators that implement tunable couplings between multiple frequency modes carried by a single waveguide. By inverse design of these short- and long-range couplings using automatic differentiation, we realize arbitrary scattering matrices in synthetic space between the input and output frequency modes with near-unity fidelity and favorable scaling. We show that the same physical structure can be reconfigured to implement a wide variety of manipulations including single-frequency conversion, nonreciprocal frequency translations, and unitary as well as non-unitary transformations. Our approach enables compact, scalable and reconfigurable integrated photonic architectures to achieve arbitrary linear transformations in both the classical and quantum domains using current state-of-the-art technology.
| S-EPMC8065043 | biostudies-literature
Project description:In computational modelling of sensory-motor control, the dynamics of muscle contraction is an important determinant of movement timing and joint stiffness. This is particularly so in animals with many slow muscles, as is the case in insects-many of which are important models for sensory-motor control. A muscle model is generally used to transform motoneuronal input into muscle force. Although standard models exist for vertebrate muscle innervated by many motoneurons, there is no agreement on a parametric model for single motoneuron stimulation of invertebrate muscle. Although several different models have been proposed, they have never been evaluated using a common experimental data set. We evaluate five models for isometric force production of a well-studied model system: the locust hind leg tibial extensor muscle. The response of this muscle to motoneuron spikes is best modelled as a non-linear low-pass system. Linear first-order models can approximate isometric force time courses well at high spike rates, but they cannot account for appropriate force time courses at low spike rates. A linear third-order model performs better, but only non-linear models can account for frequency-dependent change of decay time and force potentiation at intermediate stimulus frequencies. Some of the differences among published models are due to differences among experimental data sets. We developed a comprehensive toolbox for modelling muscle activation dynamics, and optimised model parameters using one data set. The "Hatze-Zakotnik model" that emphasizes an accurate single-twitch time course and uses frequency-dependent modulation of the twitch for force potentiation performs best for the slow motoneuron. Frequency-dependent modulation of a single twitch works less well for the fast motoneuron. The non-linear "Wilson" model that optimises parameters to all data set parts simultaneously performs better here. Our open-access toolbox provides powerful tools for researchers to fit appropriate models to a range of insect muscles.
| S-EPMC6812852 | biostudies-literature