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1.
Comput Biol Med ; 107: 153-160, 2019 04.
Article in English | MEDLINE | ID: mdl-30818113

ABSTRACT

In this study, the binding of allergens to antibody-receptor complexes was investigated. This process is important in understanding the allergic response. A BioNetGen model that simulates this process, combined with a novel method for encoding steric effects via the optimization of the cutoff distance and the rule binding rate, was previously developed. These parameters were optimized by fitting the model output to the output of a 3D simulation that explicitly represents molecular geometry. In this work, the parameters for the BioNetGen model were optimized using an adaptive-network-based fuzzy inference system in order to predict the rule rate and cutoff distance given a residual-sum-of-squares value or a probability distribution. The fuzzy systems were constructed using fuzzy c-means clustering with existing data from BioNetGen model parameter scans used as the training data. Fuzzy systems with various input data and number of clusters were created and tested. Their performance was analyzed with regard to the effective optimization of the rule-based model. The study found that the fuzzy system that uses a residual-sum-of-squares value as the input value performs acceptably well. However, the performance of the fuzzy systems that use probabilities as their input values performed inconsistently in the tests and need further development. This methodology could potentially be modified for use in fitting other biological models.


Subject(s)
Algorithms , Fuzzy Logic , Models, Biological , Cluster Analysis , Computational Biology , Databases, Protein , Protein Binding
2.
Opt Express ; 24(26): A1586-A1596, 2016 Dec 26.
Article in English | MEDLINE | ID: mdl-28059322

ABSTRACT

We introduce a new approach to systematically break the symmetry in periodic nanostructures on a crystalline silicon surface. Our focus is inverted nanopyramid arrays with a prescribed symmetry. The arrangement and symmetry of nanopyramids are determined by etch mask design and its rotation with respect to the [110] orientation of the Si(001) substrate. This approach eliminates the need for using expensive off-cut silicon wafers. We also make use of low-cost, manufacturable, wet etching steps to fabricate the nanopyramids. Our experiment and computational modeling demonstrate that the symmetry breaking can increase the photovoltaic efficiency in thin-film silicon solar cells. For a 10-micron-thick active layer, the efficiency improves from 27.0 to 27.9% by enhanced light trapping over the broad sunlight spectrum. Our computation further reveals that this improvement would increase from 28.1 to 30.0% in the case of a 20-micron-thick active layer, when the unetched area between nanopyramids is minimized with over-etching. In addition to the immediate benefit to solar photovoltaics, our method of symmetry breaking provides a useful experimental platform to broadly study the effect of symmetry breaking on spectrally tuned light absorption and emission.

3.
Adv Mater ; 27(13): 2182-8, 2015 Apr 01.
Article in English | MEDLINE | ID: mdl-25692399

ABSTRACT

Only ten micrometer thick crystalline silicon solar cells deliver a short-circuit current of 34.5 mA cm(-2) and power conversion efficiency of 15.7%. The record performance for a crystalline silicon solar cell of such thinness is enabled by an advanced light-trapping design incorporating a 2D inverted pyramid photonic crystal and a rear dielectric/reflector stack.

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