The self-assembling properties, stability, and dynamics of hybrid nanocarriers (gold nanoparticles (AuNPs) functionalized with cysteine-based peptides) in solution are studied through a series of classical molecular dynamics simulations based on a recently parametrized reactive force field. The results reveal, at the atomic level, all the details regarding the peptide adsorption mechanisms, nanoparticle stabilization, aggregation, and sintering. The data confirm and explain the experimental findings and disclose aspects that cannot be scrutinized by experiments. The biomolecules are both chemisorbed and physisorbed; self-interactions of the adsorbates and formation of stable networks of interconnected molecules on the AuNP surfaces limit substrate reconstructions, protect the AuNPs from the action of the solvent, and prevent direct interactions of the gold surfaces. The possibility of agglomeration of the functionalized nanoparticles, compared with the sintering of the bare supports in a water solution, is demonstrated through relatively long simulations and fast steered dynamics. The analysis of the trajectories reveals that the AuNPs were well stabilized by the peptides. This prevented particle sintering and kept the particles far apart; however, part of their chains could form interconnections (crosslinks) between neighboring gold vehicles. The excellent agreement of these results with the literature confirm the reliability of the method and its potential application to the modeling of more complex materials relevant to the biomedical sector.
Multi-objective evolutionary algorithms (MOEAs) have received increasing interest in industry because they have proved to be powerful optimizers. Despite the great success achieved, however, MOEAs have also encountered many challenges in real-world applications. One of the main difficulties in applying MOEAs is the large number of fitness evaluations (objective calculations) that are often needed before an acceptable solution can be found. There are, in fact, several industrial situations in which fitness evaluations are computationally expensive and the time available is very short. In these applications efficient strategies to approximate the fitness function have to be adopted, looking for a trade-off between optimization performance and efficiency. This is the case in designing a complex embedded system, where it is necessary to define an optimal architecture in relation to certain performance indexes while respecting strict time-to-market constraints. This activity, known as design space exploration (DSE), is still a great challenge for the EDA (electronic design automation) community. One of the most important bottlenecks in the overall design flow of an embedded system is due to simulation. Simulation occurs at every phase of the design flow and is used to evaluate a system which is a candidate for implementation. In this paper we focus on system level design, proposing an extensive comparison of the state-of-the-art of MOEA approaches with an approach based on fuzzy approximation to speed up the evaluation of a candidate system configuration. The comparison is performed in a real case study: optimization of the performance and power dissipation of embedded architectures based on a Very Long Instruction Word (VLIW) microprocessor in a mobile multimedia application domain. The results of the comparison demonstrate that the fuzzy approach outperforms in terms of both performance and efficiency the state of the art in MOEA strategies applied to DSE of a parameterized embedded system. 相似文献
Nature is a great source of inspiration for scientists, because natural systems seem to be able to find the best way to solve a given problem by using simple and robust mechanisms. Studying complex natural systems, scientists usually find that simple local dynamics lead to sophisticated macroscopic structures and behaviour. It seems that some kind of local interaction rules naturally allow the system to auto-organize itself as an efficient and robust structure, which can easily solve different tasks. Examples of such complex systems are social networks, where a small set of basic interaction rules leads to a relatively robust and efficient communication structure. In this paper, we present PROSA, a semantic peer-to-peer (P2P) overlay network inspired by social dynamics. The way queries are forwarded and links among peers are established in PROSA resemble the way people ask other people for collaboration, help or information. Behaving as a social network of peers, PROSA naturally evolves to a small world, where all peers can be reached in a fast and efficient way. The underlying algorithm used for query forwarding, based only on local choices, is both reliable and effective: peers sharing similar resources are eventually connected with each other, allowing queries to be successfully answered in a really small amount of time. The resulting emergent structure can guarantee fast responses and good query recall. 相似文献
A micromachined chemoresistive gas sensor was studied from the point of view of heat distribution and thermal dissipation: this innovative device for environmental pollutant gas monitoring, is based on a sensitive film of semiconductor metal oxides, kept in temperature by a platinum resistor. In order to avoid electrical interactions between the film heater and the contacts for the film reading, the heater is driven by a square wave, and the film is read when no voltage is provided. Since the working temperature of the film is extremely important for its operation, it is crucial to maintain the temperature fluctuations within few degrees; to this end, in this work we study the heat distribution and dissipation of such a device, aiming to set a proper heating frequency, which will assure a right stability of the working temperature. 相似文献
This study examined for differences in subjective ratings of discomfort and comfort (Numerical Rating Scale) and objective measures of hamstring (Sit-Reach test), lumbar (Schöber’s test) and neck (Cervical Range of Motion) flexibility in healthy young subjects (n = 24) following 4 h of sitting on stacking chairs with or without limited legroom.When comparing the limited and unlimited legroom groups for differences in subjective and objective measures over 4 h, no significant findings were seen at the 5% level of confidence. However, differences in buttock, neck, shoulder and average discomfort were significantly negatively correlated to differences between post-warm up Sit-Reach scores (Correlation Co-efficients: −.763, −.434, −.408, and −.445; p values of .004, .034, .048, and .029, respectively). The difference in buttock discomfort was significantly negatively correlated to the difference between pre-warm up Sit-Reach scores (Correlation Coefficient: −.750; p = 0.005), post-sitting/pre-warm up and pre-sitting/post-warm up Sit-Reach scores (Correlation Coefficient: −.756; p = 0.004), and Schöber’s tests (Correlation Coefficient: −.578; p = 0.049).Although the above results suggest a relationship between a loss in flexibility and an increase in discomfort, the mechanism influencing this relationship is not clear from this study. What does appear clear is that the limiting of legroom to the parameters used in this study does not seem to exacerbate change in flexibility and discomfort which are a consequence of prolonged sitting.
Relevance to industry
Many forms of public transport provide limited legroom for their passengers, which may have an adverse affect on the user’s flexibility or experience of discomfort. Determining which objectively measurable parameters are associated with the subjective level of discomfort during sitting should allow for a greater appreciation of the changes that underpin such subjective perceptions. 相似文献
We establish a categorical duality for the finitely generatedLindenbaum-Tarski algebras of propositional nilpotent minimumlogic. The latter's conjunction is semantically interpretedby a left-continuous (but not continuous) triangular norm; implicationis obtained through residuation. Our duality allows one to transferto nilpotent minimum logic several known results about inutitionisticlogic with the prelinearity axiom (also called Gödel-Dummettlogic), mutatis mutandis. We give several such applications. 相似文献
Information system design and sizing constitute a complex, top-down process that tailors the technology architecture to application requirements. Practitioners usually tackle this top-down process by focusing on individual design aspects, such as data or specific applications, and by relying on their previous experiences to compare alternative architectural solutions. Acquisition costs are usually accounted for, but related operating and maintenance costs are often neglected or underestimated. The complexity of optimizing individual design problems leads researchers to avoid a global optimization perspective and, thus, the IS architecture is usually a result of the juxtaposition of multiple local optima.This paper takes an overall perspective on the cost minimization problem of information system design to achieve a better trade-off between cost and performance over the whole expected life of the technology architecture. A comprehensive design methodology is discussed as an integrating framework that accounts for all categories of costs, including design, implementation, maintenance, and operation, to achieve a globally cost-minimizing solution. 相似文献