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Mechanical Aspects (mechanical + aspect)
Selected AbstractsArtificial molecular-level machinesTHE CHEMICAL RECORD, Issue 6 2001Vincenzo Balzani Abstract The concept of "machine" can be extended to the molecular level by designing supramolecular species capable of performing mechanical-like movements as a consequence of an appropriate energy supply. Molecular-level machines operate via electronic and nuclear rearrangements, for example, through some kind of chemical reaction. Like macroscopic machines, they are characterized by: (i) the kind of energy input supplied to make them work, (ii) the kind of movement performed by their components, (iii) the way in which their operation can be controlled and monitored, (iv) the possibility to repeat the operation at will and establish a cyclic process, (v) the time scale needed to complete a cycle of operation, and (vi) the function performed. A crucial issue is that concerning energy supply. Artificial machines powered by chemical energy ("fuels") produce waste products whose accumulation compromises the operation of the machine unless they are removed from the system. Photochemical and electrochemical energy inputs, however, can be used to make a machine work without formation of waste products. Examples of chemically, electrochemically, and photochemically powered machines investigated in our laboratory are reviewed, and future directions for the construction of novel machines are illustrated. The two most interesting kinds of applications of molecular-level machines are related to the mechanical aspect, which can be exploited, for example, for molecular-level transportation purposes, and the logic aspect, which can be exploited for information processing at the molecular level and, in the long run, for the construction of molecular level (chemical) computers. © 2001 John Wiley & Sons, Inc. and The Japan Chemical Journal Forum Chem Rec 1:422,435, 2001 [source] Accelerating strategies to the numerical simulation of large-scale models for sequential excavationINTERNATIONAL JOURNAL FOR NUMERICAL AND ANALYTICAL METHODS IN GEOMECHANICS, Issue 9 2007M. Noronha Abstract In this paper, a novel combination of well-established numerical procedures is explored in order to accelerate the simulation of sequential excavation. Usually, large-scale models are used to represent these problems. Due to the high number of equations involved, the solver algorithm represents the critical aspect which makes the simulation very time consuming. The mutable nature of the excavation models makes this problem even more pronounced. To accomplish the representation of geometrical and mechanical aspects in an efficient and simple manner, the proposed solution employs the boundary element method with a multiple-region strategy. Together with this representational system, a segmented storage scheme and a time-ordered tracking of the changes form an adequate basis for the usage of fast updating methods instead of frontal solvers. The present development employs the Sherman,Morrison,Woodbury method to speed up the calculation due to sequential changes. The efficiency of the proposed framework is illustrated through the simulation of test examples of 2D and 3D models. Copyright © 2006 John Wiley & Sons, Ltd. [source] Complex molecular assemblies at hand via interactive simulationsJOURNAL OF COMPUTATIONAL CHEMISTRY, Issue 15 2009Olivier Delalande Abstract Studying complex molecular assemblies interactively is becoming an increasingly appealing approach to molecular modeling. Here we focus on interactive molecular dynamics (IMD) as a textbook example for interactive simulation methods. Such simulations can be useful in exploring and generating hypotheses about the structural and mechanical aspects of biomolecular interactions. For the first time, we carry out low-resolution coarse-grain IMD simulations. Such simplified modeling methods currently appear to be more suitable for interactive experiments and represent a well-balanced compromise between an important gain in computational speed versus a moderate loss in modeling accuracy compared to higher resolution all-atom simulations. This is particularly useful for initial exploration and hypothesis development for rare molecular interaction events. We evaluate which applications are currently feasible using molecular assemblies from 1900 to over 300,000 particles. Three biochemical systems are discussed: the guanylate kinase (GK) enzyme, the outer membrane protease T and the soluble N -ethylmaleimide-sensitive factor attachment protein receptors complex involved in membrane fusion. We induce large conformational changes, carry out interactive docking experiments, probe lipid,protein interactions and are able to sense the mechanical properties of a molecular model. Furthermore, such interactive simulations facilitate exploration of modeling parameters for method improvement. For the purpose of these simulations, we have developed a freely available software library called MDDriver. It uses the IMD protocol from NAMD and facilitates the implementation and application of interactive simulations. With MDDriver it becomes very easy to render any particle-based molecular simulation engine interactive. Here we use its implementation in the Gromacs software as an example. © 2009 Wiley Periodicals, Inc. J Comput Chem, 2009 [source] A Micro/Nanoscale Surface Mechanical Study on Morpho-Functional Changes in Multilineage-Differentiated Human Mesenchymal Stem CellsMACROMOLECULAR BIOSCIENCE, Issue 5 2007Serena Danti Abstract In recent years MSCs have become a very attractive tool in tissue engineering and regenerative medicine because of their ability to be committed along several lineages through chemical or physical stimuli. Nevertheless their therapeutic potential and plasticity are not yet totally understood. This report describes the use of AFM together with conventional microscopies to obtain mechanical information on cell surfaces and deposited extra cellular matrix molecules, after inducing the differentiation of human MSCs towards three typical mesoderm phenotypes. The aim is to correlate morphological, functional, and mechanical aspects of human MSCs to obtain a deeper understanding of their great potential. [source] Influence of surgical technique and surface roughness on the primary stability of an implant in artificial bone with different cortical thickness: a laboratory studyCLINICAL ORAL IMPLANTS RESEARCH, Issue 2 2010Afsheen Tabassum Abstract Objective: The aim of this biomechanical study was to assess the interrelated effect of both surface roughness and surgical technique on the primary stability of dental implants. Material and methods: For the experiment, 160 screw-designed implants (Biocomp®), with either a machined or an etched surface topography, were inserted into polyurethane foam blocks (Sawbones®). As an equivalent of trabecular bone, a density of 0.48 g/cm3 was chosen. To mimic the cortical layer, on top of these blocks short-fibre-filled epoxy sheets were attached with a thickness varying from 0 to 2.5 mm. The implant sites were prepared using either a press-fit or an undersized technique. To measure the primary stability of the implant, both the insertion and the removal torques were scored. Results: Independent of the surgical technique used, both implant types showed an increased insertion and removal torque values with increasing cortical thickness, although >2 mm cortical layer no further increase in insertion torque was observed. In the models with only trabecular bone (without cortical layer) and with a 1 mm cortical layer, both implant types showed a statistically higher insertion and removal torque values for undersized compared with the press-fit technique. In addition, etched implants showed a statistically higher insertion and removal torque mean values compared with machined implants. In the models with 2 and 2.5 mm cortical layers, with respect to the insertion torque values, no effect of either implantation technique or implant surface topography could be observed. Conclusion: The placement of etched implants in synthetic bone models using an undersized preparation technique resulted in enhanced primary implant stability. A correlation was found between the primary stability and the cortical thickness. However, at or above a cortical thickness of 2 mm, the effect of both an undersized surgical approach, as also the presence of a roughened (etched) implant surface, had no extra effect. Besides the mechanical aspects, the biological effect of undersized drilling, i.e. the bone response on the extra insertion torque forces should also be elucidated. Therefore, additional in vivo studies are needed. To cite this article: Tabassum A, Meijer GJ, Wolke JGC, Jansen JA. Influence of surgical technique and surface roughness on the primary stability of an implant in artificial bone with different cortical thickness: a laboratory study. Clin. Oral Impl. Res. 21, 2010; 213,220. doi: 10.1111/j.1600-0501.2009.01823.x [source] | ||||||||||