I/O-Efficient Planar Range Skyline and Attrition Priority Queues

In the planar range skyline reporting problem, we store a set P of n 2D points in a structure such that, given a query rectangle Q = [a_1, a_2] x [b_1, b_2], the maxima (a.k.a. skyline) of P \cap Q can be reported efficiently. The query is 3-sided if an edge of Q is grounded, giving rise to two variants: top-open (b_2 = \infty) and left-open (a_1 = -\infty) queries. All our results are in external memory under the O(n/B) space budget, for both the static and dynamic settings: * For static P, we give structures that answer top-open queries in O(log_B n + k/B), O(loglog_B U + k/B), and O(1 + k/B) I/Os when the universe is R^2, a U x U grid, and a rank space grid [O(n)]^2, respectively (where k is the number of reported points). The query complexity is optimal in all cases. * We show that the left-open case is harder, such that any linear-size structure must incur \Omega((n/B)^e + k/B) I/Os for a query. We show that this case is as difficult as the general 4-sided queries, for which we give a static structure with the optimal query cost O((n/B)^e + k/B). * We give a dynamic structure that supports top-open queries in O(log_2B^e (n/B) + k/B^1-e) I/Os, and updates in O(log_2B^e (n/B)) I/Os, for any e satisfying 0 \le e \le 1. This leads to a dynamic structure for 4-sided queries with optimal query cost O((n/B)^e + k/B), and amortized update cost O(log (n/B)). As a contribution of independent interest, we propose an I/O-efficient version of the fundamental structure priority queue with attrition (PQA). Our PQA supports FindMin, DeleteMin, and InsertAndAttrite all in O(1) worst case I/Os, and O(1/B) amortized I/Os per operation. We also add the new CatenateAndAttrite operation that catenates two PQAs in O(1) worst case and O(1/B) amortized I/Os. This operation is a non-trivial extension to the classic PQA of Sundar, even in internal memory.Comment: Appeared at PODS 2013, New York, 19 pages, 10 figures. arXiv admin note: text overlap with arXiv:1208.4511, arXiv:1207.234

High-throughput peptide quantification using mTRAQ reagent triplex

<p>Abstract</p> <p>Background</p> <p>Protein quantification is an essential step in many proteomics experiments. A number of labeling approaches have been proposed and adopted in mass spectrometry (MS) based relative quantification. The mTRAQ, one of the stable isotope labeling methods, is amine-specific and available in triplex format, so that the sample throughput could be doubled when compared with duplex reagents.</p> <p>Methods and results</p> <p>Here we propose a novel data analysis algorithm for peptide quantification in triplex mTRAQ experiments. It improved the accuracy of quantification in two features. First, it identified and separated triplex isotopic clusters of a peptide in each full MS scan. We designed a schematic model of triplex overlapping isotopic clusters, and separated triplex isotopic clusters by solving cubic equations, which are deduced from the schematic model. Second, it automatically determined the elution areas of peptides. Some peptides have similar atomic masses and elution times, so their elution areas can have overlaps. Our algorithm successfully identified the overlaps and found accurate elution areas. We validated our algorithm using standard protein mixture experiments.</p> <p>Conclusions</p> <p>We showed that our algorithm was able to accurately quantify peptides in triplex mTRAQ experiments. Its software implementation is compatible with Trans-Proteomic Pipeline (TPP), and thus enables high-throughput analysis of proteomics data.</p

I/O-efficient 2-d orthogonal range skyline and attrition priority queues

In the planar range skyline reporting problem, we store a set P of n 2D points in a structure such that, given a query rectangle Q = [a_1, a_2] x [b_1, b_2], the maxima (a.k.a. skyline) of P \cap Q can be reported efficiently. The query is 3-sided if an edge of Q is grounded, giving rise to two variants: top-open (b_2 = \infty) and left-open (a_1 = -\infty) queries. All our results are in external memory under the O(n/B) space budget, for both the static and dynamic settings: * For static P, we give structures that answer top-open queries in O(log_B n + k/B), O(loglog_B U + k/B), and O(1 + k/B) I/Os when the universe is R^2, a U x U grid, and a rank space grid [O(n)]^2, respectively (where k is the number of reported points). The query complexity is optimal in all cases. * We show that the left-open case is harder, such that any linear-size structure must incur \Omega((n/B)^e + k/B) I/Os for a query. We show that this case is as difficult as the general 4-sided queries, for which we give a static structure with the optimal query cost O((n/B)^e + k/B). * We give a dynamic structure that supports top-open queries in O(log_2B^e (n/B) + k/B^1-e) I/Os, and updates in O(log_2B^e (n/B)) I/Os, for any e satisfying 0 \le e \le 1. This leads to a dynamic structure for 4-sided queries with optimal query cost O((n/B)^e + k/B), and amortized update cost O(log (n/B)). As a contribution of independent interest, we propose an I/O-efficient version of the fundamental structure priority queue with attrition (PQA). Our PQA supports FindMin, DeleteMin, and InsertAndAttrite all in O(1) worst case I/Os, and O(1/B) amortized I/Os per operation. We also add the new CatenateAndAttrite operation that catenates two PQAs in O(1) worst case and O(1/B) amortized I/Os. This operation is a non-trivial extension to the classic PQA of Sundar, even in internal memory

Dissociating stable nitrogen molecules under mild conditions by cyclic strain engineering

All quiet on the nitrogen front. The dissociation of stable diatomic nitrogen molecules (N-2) is one of the most challenging tasks in the scientific community and currently requires both high pressure and high temperature. Here, we demonstrate that N-2 can be dissociated under mild conditions by cyclic strain engineering. The method can be performed at a critical reaction pressure of less than 1 bar, and the temperature of the reaction container is only 40 degrees C. When graphite was used as a dissociated N* receptor, the normalized loading of N to C reached as high as 16.3 at/at %. Such efficient nitrogen dissociation is induced by the cyclic loading and unloading mechanical strain, which has the effect of altering the binding energy of N, facilitating adsorption in the strain-free stage and desorption in the compressive strain stage. Our finding may lead to opportunities for the direct synthesis of N-containing compounds from N-2

25th annual computational neuroscience meeting: CNS-2016

The same neuron may play different functional roles in the neural circuits to which it belongs. For example, neurons in the Tritonia pedal ganglia may participate in variable phases of the swim motor rhythms [1]. While such neuronal functional variability is likely to play a major role the delivery of the functionality of neural systems, it is difficult to study it in most nervous systems. We work on the pyloric rhythm network of the crustacean stomatogastric ganglion (STG) [2]. Typically network models of the STG treat neurons of the same functional type as a single model neuron (e.g. PD neurons), assuming the same conductance parameters for these neurons and implying their synchronous firing [3, 4]. However, simultaneous recording of PD neurons shows differences between the timings of spikes of these neurons. This may indicate functional variability of these neurons. Here we modelled separately the two PD neurons of the STG in a multi-neuron model of the pyloric network. Our neuron models comply with known correlations between conductance parameters of ionic currents. Our results reproduce the experimental finding of increasing spike time distance between spikes originating from the two model PD neurons during their synchronised burst phase. The PD neuron with the larger calcium conductance generates its spikes before the other PD neuron. Larger potassium conductance values in the follower neuron imply longer delays between spikes, see Fig. 17.Neuromodulators change the conductance parameters of neurons and maintain the ratios of these parameters [5]. Our results show that such changes may shift the individual contribution of two PD neurons to the PD-phase of the pyloric rhythm altering their functionality within this rhythm. Our work paves the way towards an accessible experimental and computational framework for the analysis of the mechanisms and impact of functional variability of neurons within the neural circuits to which they belong

I/O-Efficient Planar Range Skyline and Attrition Priority Queues

In the planar range skyline reporting problem, we store a set P of n 2D points in a structure such that, given a query rectangle Q = [a_1, a_2] x [b_1, b_2], the maxima (a.k.a. skyline) of P \cap Q can be reported efficiently. The query is 3-sided if an edge of Q is grounded, giving rise to two variants: top-open (b_2 = \infty) and left-open (a_1 = -\infty) queries. All our results are in external memory under the O(n/B) space budget, for both the static and dynamic settings: * For static P, we give structures that answer top-open queries in O(log_B n + k/B), O(loglog_B U + k/B), and O(1 + k/B) I/Os when the universe is R^2, a U x U grid, and a rank space grid [O(n)]^2, respectively (where k is the number of reported points). The query complexity is optimal in all cases. * We show that the left-open case is harder, such that any linear-size structure must incur \Omega((n/B)^e + k/B) I/Os for a query. We show that this case is as difficult as the general 4-sided queries, for which we give a static structure with the optimal query cost O((n/B)^e + k/B). * We give a dynamic structure that supports top-open queries in O(log_2B^e (n/B) + k/B^1-e) I/Os, and updates in O(log_2B^e (n/B)) I/Os, for any e satisfying 0 \le e \le 1. This leads to a dynamic structure for 4-sided queries with optimal query cost O((n/B)^e + k/B), and amortized update cost O(log (n/B)). As a contribution of independent interest, we propose an I/O-efficient version of the fundamental structure priority queue with attrition (PQA). Our PQA supports FindMin, DeleteMin, and InsertAndAttrite all in O(1) worst case I/Os, and O(1/B) amortized I/Os per operation. We also add the new CatenateAndAttrite operation that catenates two PQAs in O(1) worst case and O(1/B) amortized I/Os. This operation is a non-trivial extension to the classic PQA of Sundar, even in internal memory

A New Ruthenium Sensitizer Containing Benzo[1,9]quinolizino(acridin-2-yl)vinyl-2,2′-bipyridine Ligand for Effective Nanocrystalline Dye-Sensitized Solar Cells

Novel ruthenium bipyridyl sensitizer incorporating conjugated benzo[1,9]quinolizino-(acridin-2-yl)vinyl-2,2′-bipyridine ligand [JJ-12] has been synthesized and demonstrated as efficient sensitizer in dye-sensitized solar cells. A mesoporous titania film stained with JJ-12 exhibits a remarkable incident monochromatic photon-to-current conversion efficiency of 82%. Under standard AM 1.5 sunlight, the solar cell using a liquid-based electrolyte consisting of 0.6 M 1,2-dimethyl-3-propylimidazolium iodide (DMPII), 0.05 M I2, 0.1 M LiI, and 0.5 M tert-butylpyridine in acetonitrile exhibits a short-circuit photocurrent density of 16.47 mA/cm2, an open-circuit voltage of 0.71 V, and a fill factor of 0.71, corresponding to an overall conversion efficiency of 8.34 %